smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCNC(=O)C23CNC3)C1=O ZINC001164410331 718878921 /nfs/dbraw/zinc/87/89/21/718878921.db2.gz AKXKROXDBUVMDD-IBGZPJMESA-N 0 3 437.907 0.295 20 0 ICADHN CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCNC(=O)C23CNC3)C1=O ZINC001164410334 718879013 /nfs/dbraw/zinc/87/90/13/718879013.db2.gz AKXKROXDBUVMDD-LJQANCHMSA-N 0 3 437.907 0.295 20 0 ICADHN CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23CNC3)c1CN1CC[C@H](CO)C1 ZINC001164411067 718878857 /nfs/dbraw/zinc/87/88/57/718878857.db2.gz LWZVYYRLWGFLCL-HNNXBMFYSA-N 0 3 430.553 0.159 20 0 ICADHN CC(C)(C)C(=O)Nc1ccnc(N2CCNC(=O)C23CNC3)c1CN1CC[C@@H](CO)C1 ZINC001164411068 718879108 /nfs/dbraw/zinc/87/91/08/718879108.db2.gz LWZVYYRLWGFLCL-OAHLLOKOSA-N 0 3 430.553 0.159 20 0 ICADHN COC(=O)[C@H]1CNCCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1 ZINC001164630624 719134495 /nfs/dbraw/zinc/13/44/95/719134495.db2.gz KHIWAIIVNWIWAR-CRAIPNDOSA-N 0 3 433.553 0.832 20 0 ICADHN COC(=O)[C@H]1CNCCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1 ZINC001164630625 719134024 /nfs/dbraw/zinc/13/40/24/719134024.db2.gz KHIWAIIVNWIWAR-MAUKXSAKSA-N 0 3 433.553 0.832 20 0 ICADHN COC(=O)[C@@H]1CNCCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1 ZINC001164630626 719134273 /nfs/dbraw/zinc/13/42/73/719134273.db2.gz KHIWAIIVNWIWAR-QAPCUYQASA-N 0 3 433.553 0.832 20 0 ICADHN COC(=O)[C@@H]1CNCCN1c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1 ZINC001164630627 719134809 /nfs/dbraw/zinc/13/48/09/719134809.db2.gz KHIWAIIVNWIWAR-YJBOKZPZSA-N 0 3 433.553 0.832 20 0 ICADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)C(=O)N(CCOC)CCN4C)c12 ZINC001164632911 719270970 /nfs/dbraw/zinc/27/09/70/719270970.db2.gz DKAQMEDTUCWFNJ-UHFFFAOYSA-N 0 3 430.509 0.894 20 0 ICADHN CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164683737 719732246 /nfs/dbraw/zinc/73/22/46/719732246.db2.gz FCCZGESIQPYDFV-UHFFFAOYSA-N 0 3 446.552 0.671 20 0 ICADHN CNC(=O)CN1CCCC12CCN(c1ncccc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164684530 719731810 /nfs/dbraw/zinc/73/18/10/719731810.db2.gz HVVCKIMEFLCIKA-UHFFFAOYSA-N 0 3 437.566 0.283 20 0 ICADHN CNC(=O)CN1CCCC12CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)CC2 ZINC001164685237 719710864 /nfs/dbraw/zinc/71/08/64/719710864.db2.gz SRNFWMNYWZZUQF-UHFFFAOYSA-N 0 3 428.541 0.381 20 0 ICADHN CNC(=O)CN1CCCC12CCN(c1nc(OC)nc(N3CCn4ccnc4C3)n1)CC2 ZINC001164689633 719751130 /nfs/dbraw/zinc/75/11/30/719751130.db2.gz JOQZWKZLWWGXHE-UHFFFAOYSA-N 0 3 441.540 0.278 20 0 ICADHN CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164689902 719740681 /nfs/dbraw/zinc/74/06/81/719740681.db2.gz OFYWBTOPCPYPJB-UHFFFAOYSA-N 0 3 437.566 0.283 20 0 ICADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164690108 719747323 /nfs/dbraw/zinc/74/73/23/719747323.db2.gz STEURPUQKGFBSR-UHFFFAOYSA-N 0 3 449.577 0.133 20 0 ICADHN Cc1nc2c(nc(Cl)nc2N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH]1 ZINC001164703834 720048521 /nfs/dbraw/zinc/04/85/21/720048521.db2.gz NLTZPDOOCGJJBQ-UHFFFAOYSA-N 0 3 429.916 0.999 20 0 ICADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164708374 719914964 /nfs/dbraw/zinc/91/49/64/719914964.db2.gz BKRMOFIFUICLCF-UHFFFAOYSA-N 0 3 438.580 0.517 20 0 ICADHN COC(=O)c1c[nH]c2ncnc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c12 ZINC001164708695 719912754 /nfs/dbraw/zinc/91/27/54/719912754.db2.gz HKFOHEPZVBNOLH-UHFFFAOYSA-N 0 3 438.492 0.428 20 0 ICADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@]4(C3)COCCN(CC(=O)NC)C4)c12 ZINC001164718499 720226915 /nfs/dbraw/zinc/22/69/15/720226915.db2.gz MLXJRKUQYPOAFW-NRFANRHFSA-N 0 3 430.509 0.799 20 0 ICADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@@]4(C3)COCCN(CC(=O)NC)C4)c12 ZINC001164718500 720227022 /nfs/dbraw/zinc/22/70/22/720227022.db2.gz MLXJRKUQYPOAFW-OAQYLSRUSA-N 0 3 430.509 0.799 20 0 ICADHN COC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164738210 720726445 /nfs/dbraw/zinc/72/64/45/720726445.db2.gz FDDNXFQEKQYYMX-MSOLQXFVSA-N 0 3 439.520 0.998 20 0 ICADHN COC(=O)C1CCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164738213 720726015 /nfs/dbraw/zinc/72/60/15/720726015.db2.gz FDDNXFQEKQYYMX-QZTJIDSGSA-N 0 3 439.520 0.998 20 0 ICADHN COC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164738216 720725513 /nfs/dbraw/zinc/72/55/13/720725513.db2.gz FDDNXFQEKQYYMX-ROUUACIJSA-N 0 3 439.520 0.998 20 0 ICADHN COC(=O)C1CCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164738219 720725937 /nfs/dbraw/zinc/72/59/37/720725937.db2.gz FDDNXFQEKQYYMX-ZWKOTPCHSA-N 0 3 439.520 0.998 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164742914 720763419 /nfs/dbraw/zinc/76/34/19/720763419.db2.gz PJIANEZDKSJHGS-DLBZAZTESA-N 0 3 446.533 0.234 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164742915 720762787 /nfs/dbraw/zinc/76/27/87/720762787.db2.gz PJIANEZDKSJHGS-IAGOWNOFSA-N 0 3 446.533 0.234 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164742916 720762027 /nfs/dbraw/zinc/76/20/27/720762027.db2.gz PJIANEZDKSJHGS-IRXDYDNUSA-N 0 3 446.533 0.234 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164742917 720762855 /nfs/dbraw/zinc/76/28/55/720762855.db2.gz PJIANEZDKSJHGS-SJORKVTESA-N 0 3 446.533 0.234 20 0 ICADHN COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)nc(S(C)(=O)=O)n1 ZINC001164744470 720829657 /nfs/dbraw/zinc/82/96/57/720829657.db2.gz UMBVBNVTRIRFLA-BRWVUGGUSA-N 0 3 447.565 0.860 20 0 ICADHN COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)nc(S(C)(=O)=O)n1 ZINC001164744472 720829424 /nfs/dbraw/zinc/82/94/24/720829424.db2.gz UMBVBNVTRIRFLA-GVDBMIGSSA-N 0 3 447.565 0.860 20 0 ICADHN COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)nc(S(C)(=O)=O)n1 ZINC001164744473 720829564 /nfs/dbraw/zinc/82/95/64/720829564.db2.gz UMBVBNVTRIRFLA-IXDOHACOSA-N 0 3 447.565 0.860 20 0 ICADHN COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)nc(S(C)(=O)=O)n1 ZINC001164744474 720829623 /nfs/dbraw/zinc/82/96/23/720829623.db2.gz UMBVBNVTRIRFLA-YESZJQIVSA-N 0 3 447.565 0.860 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCCC1 ZINC001164744684 720761678 /nfs/dbraw/zinc/76/16/78/720761678.db2.gz RYOREDRYEJSKGH-DLBZAZTESA-N 0 3 430.534 0.998 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCC1 ZINC001164744687 720762366 /nfs/dbraw/zinc/76/23/66/720762366.db2.gz RYOREDRYEJSKGH-IAGOWNOFSA-N 0 3 430.534 0.998 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCCC1 ZINC001164744690 720762079 /nfs/dbraw/zinc/76/20/79/720762079.db2.gz RYOREDRYEJSKGH-IRXDYDNUSA-N 0 3 430.534 0.998 20 0 ICADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCC1 ZINC001164744694 720762138 /nfs/dbraw/zinc/76/21/38/720762138.db2.gz RYOREDRYEJSKGH-SJORKVTESA-N 0 3 430.534 0.998 20 0 ICADHN CN(C)Cc1ccnc(N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)c1 ZINC001164750021 720942186 /nfs/dbraw/zinc/94/21/86/720942186.db2.gz IUJMGTIMVJGSOW-NRFANRHFSA-N 0 3 435.594 0.854 20 0 ICADHN CN(C)Cc1ccnc(N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC001164750027 720942755 /nfs/dbraw/zinc/94/27/55/720942755.db2.gz IUJMGTIMVJGSOW-OAQYLSRUSA-N 0 3 435.594 0.854 20 0 ICADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773326 721198629 /nfs/dbraw/zinc/19/86/29/721198629.db2.gz WGWJMXYDPKWWFR-MOPGFXCFSA-N 0 3 446.577 0.794 20 0 ICADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773327 721200322 /nfs/dbraw/zinc/20/03/22/721200322.db2.gz WGWJMXYDPKWWFR-OALUTQOASA-N 0 3 446.577 0.794 20 0 ICADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@H]3C2)cn1 ZINC001164773328 721199759 /nfs/dbraw/zinc/19/97/59/721199759.db2.gz WGWJMXYDPKWWFR-RBUKOAKNSA-N 0 3 446.577 0.794 20 0 ICADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)C[C@H]3C2)cn1 ZINC001164773329 721200617 /nfs/dbraw/zinc/20/06/17/721200617.db2.gz WGWJMXYDPKWWFR-RTBURBONSA-N 0 3 446.577 0.794 20 0 ICADHN CCc1cc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)nc(N2CCOCC2)n1 ZINC001164796725 721516829 /nfs/dbraw/zinc/51/68/29/721516829.db2.gz ANOIFOKGWRWTMP-UHFFFAOYSA-N 0 3 426.569 0.840 20 0 ICADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(Cl)nc3c1CNCC3)C2 ZINC001164824319 720429438 /nfs/dbraw/zinc/42/94/38/720429438.db2.gz KRLHRWMDLPVKQX-HNNXBMFYSA-N 0 3 447.971 0.962 20 0 ICADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)nc3c1CNCC3)C2 ZINC001164824323 720428428 /nfs/dbraw/zinc/42/84/28/720428428.db2.gz KRLHRWMDLPVKQX-OAHLLOKOSA-N 0 3 447.971 0.962 20 0 ICADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(Cl)nc3c1CCNC3)C2 ZINC001164827125 720437459 /nfs/dbraw/zinc/43/74/59/720437459.db2.gz ZGGROCHFHFDBGK-HNNXBMFYSA-N 0 3 447.971 0.962 20 0 ICADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)nc3c1CCNC3)C2 ZINC001164827128 720437736 /nfs/dbraw/zinc/43/77/36/720437736.db2.gz ZGGROCHFHFDBGK-OAHLLOKOSA-N 0 3 447.971 0.962 20 0 ICADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@H]2CN(CCOC)CCO[C@@H]2C1 ZINC001164859271 720872743 /nfs/dbraw/zinc/87/27/43/720872743.db2.gz MKVHKEGLKMQKRR-HBIWAFADSA-N 0 3 426.539 0.564 20 0 ICADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2CN(CCOC)CCO[C@@H]2C1 ZINC001164859273 720872963 /nfs/dbraw/zinc/87/29/63/720872963.db2.gz MKVHKEGLKMQKRR-KSIJVBBXSA-N 0 3 426.539 0.564 20 0 ICADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@H]2CN(CCOC)CCO[C@H]2C1 ZINC001164859275 720872586 /nfs/dbraw/zinc/87/25/86/720872586.db2.gz MKVHKEGLKMQKRR-NIDLEFHJSA-N 0 3 426.539 0.564 20 0 ICADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@H]2CN(CCOC)CCO[C@H]2C1 ZINC001164859277 720873025 /nfs/dbraw/zinc/87/30/25/720873025.db2.gz MKVHKEGLKMQKRR-WQIKXMADSA-N 0 3 426.539 0.564 20 0 ICADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164868966 721265150 /nfs/dbraw/zinc/26/51/50/721265150.db2.gz HKKUWNHOUYVMEM-UHFFFAOYSA-N 0 3 430.509 0.703 20 0 ICADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)c1 ZINC001164869758 721131603 /nfs/dbraw/zinc/13/16/03/721131603.db2.gz BBKQFNYZSZVMAZ-MOPGFXCFSA-N 0 3 437.548 0.791 20 0 ICADHN c1cncc(CO[C@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)c1 ZINC001164869759 721133055 /nfs/dbraw/zinc/13/30/55/721133055.db2.gz BBKQFNYZSZVMAZ-OALUTQOASA-N 0 3 437.548 0.791 20 0 ICADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)c1 ZINC001164869760 721131702 /nfs/dbraw/zinc/13/17/02/721131702.db2.gz BBKQFNYZSZVMAZ-RBUKOAKNSA-N 0 3 437.548 0.791 20 0 ICADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)CCN3C2)c1 ZINC001164869761 721133194 /nfs/dbraw/zinc/13/31/94/721133194.db2.gz BBKQFNYZSZVMAZ-RTBURBONSA-N 0 3 437.548 0.791 20 0 ICADHN COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)c12 ZINC001164872278 721277610 /nfs/dbraw/zinc/27/76/10/721277610.db2.gz BNTDVBAVNNXTEM-UHFFFAOYSA-N 0 3 430.509 0.752 20 0 ICADHN COC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164872278 721277607 /nfs/dbraw/zinc/27/76/07/721277607.db2.gz BNTDVBAVNNXTEM-UHFFFAOYSA-N 0 3 430.509 0.752 20 0 ICADHN COC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164872278 721277602 /nfs/dbraw/zinc/27/76/02/721277602.db2.gz BNTDVBAVNNXTEM-UHFFFAOYSA-N 0 3 430.509 0.752 20 0 ICADHN CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)C1 ZINC001164872779 721263255 /nfs/dbraw/zinc/26/32/55/721263255.db2.gz FWOUBDBJOORJDW-UHFFFAOYSA-N 0 3 431.585 0.235 20 0 ICADHN CCc1cc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc(N2CCOCC2)n1 ZINC001164872915 721279643 /nfs/dbraw/zinc/27/96/43/721279643.db2.gz IGTODTSVXVXBKN-UHFFFAOYSA-N 0 3 446.596 0.883 20 0 ICADHN CN(C)C(=O)CN1CCOCC2(CCN(c3cccc(N4CCN(C)CC4)n3)CC2)C1 ZINC001164875531 721279787 /nfs/dbraw/zinc/27/97/87/721279787.db2.gz WUNDWNSPIYNADU-UHFFFAOYSA-N 0 3 430.597 0.840 20 0 ICADHN CN(C)C(=O)CN1CCOCC2(CCN(c3ccnc(N4CCN(C)CC4)n3)CC2)C1 ZINC001164877770 721289895 /nfs/dbraw/zinc/28/98/95/721289895.db2.gz OOJQASCGQNZJME-UHFFFAOYSA-N 0 3 431.585 0.235 20 0 ICADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CCN(C)CC5)nn4)C3)O2)CC1 ZINC001164892822 721385970 /nfs/dbraw/zinc/38/59/70/721385970.db2.gz SURUYASMDZSWNQ-NFBKMPQASA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CCN(C)CC5)nn4)C3)O2)CC1 ZINC001164892823 721386385 /nfs/dbraw/zinc/38/63/85/721386385.db2.gz SURUYASMDZSWNQ-NZQKXSOJSA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CCN(C)CC5)nn4)C3)O2)CC1 ZINC001164892824 721386377 /nfs/dbraw/zinc/38/63/77/721386377.db2.gz SURUYASMDZSWNQ-OFNKIYASSA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CCN(C)CC5)nn4)C3)O2)CC1 ZINC001164892825 721386043 /nfs/dbraw/zinc/38/60/43/721386043.db2.gz SURUYASMDZSWNQ-REWPJTCUSA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccnc(N5CCN(C)CC5)n4)C3)O2)CC1 ZINC001164899378 721443030 /nfs/dbraw/zinc/44/30/30/721443030.db2.gz YJAKWQFBTLMTNA-NFBKMPQASA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(N5CCN(C)CC5)n4)C3)O2)CC1 ZINC001164899381 721442927 /nfs/dbraw/zinc/44/29/27/721442927.db2.gz YJAKWQFBTLMTNA-NZQKXSOJSA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(N5CCN(C)CC5)n4)C3)O2)CC1 ZINC001164899383 721442780 /nfs/dbraw/zinc/44/27/80/721442780.db2.gz YJAKWQFBTLMTNA-OFNKIYASSA-N 0 3 429.613 0.994 20 0 ICADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(N5CCN(C)CC5)n4)C3)O2)CC1 ZINC001164899385 721443008 /nfs/dbraw/zinc/44/30/08/721443008.db2.gz YJAKWQFBTLMTNA-REWPJTCUSA-N 0 3 429.613 0.994 20 0 ICADHN CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164970158 722087690 /nfs/dbraw/zinc/08/76/90/722087690.db2.gz CTRIQAXZJDFKKF-HKUYNNGSSA-N 0 3 435.594 0.994 20 0 ICADHN CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@H]2S1(=O)=O ZINC001164970160 722087699 /nfs/dbraw/zinc/08/76/99/722087699.db2.gz CTRIQAXZJDFKKF-IEBWSBKVSA-N 0 3 435.594 0.994 20 0 ICADHN CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164970162 722087644 /nfs/dbraw/zinc/08/76/44/722087644.db2.gz CTRIQAXZJDFKKF-MJGOQNOKSA-N 0 3 435.594 0.994 20 0 ICADHN CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@H]2S1(=O)=O ZINC001164970164 722087685 /nfs/dbraw/zinc/08/76/85/722087685.db2.gz CTRIQAXZJDFKKF-PKOBYXMFSA-N 0 3 435.594 0.994 20 0 ICADHN CN(C)C(=O)CN1C[C@@H]2CCN(c3ncccc3CN3CCCC3)CC[C@@H]2S1(=O)=O ZINC001164970359 722087627 /nfs/dbraw/zinc/08/76/27/722087627.db2.gz DHCALMWXWWTUND-HKUYNNGSSA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@H]2CCN(c3ncccc3CN3CCCC3)CC[C@H]2S1(=O)=O ZINC001164970361 722087622 /nfs/dbraw/zinc/08/76/22/722087622.db2.gz DHCALMWXWWTUND-IEBWSBKVSA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@H]2CCN(c3ncccc3CN3CCCC3)CC[C@@H]2S1(=O)=O ZINC001164970363 722087724 /nfs/dbraw/zinc/08/77/24/722087724.db2.gz DHCALMWXWWTUND-MJGOQNOKSA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@@H]2CCN(c3ncccc3CN3CCCC3)CC[C@H]2S1(=O)=O ZINC001164970365 722087669 /nfs/dbraw/zinc/08/76/69/722087669.db2.gz DHCALMWXWWTUND-PKOBYXMFSA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164972520 722087482 /nfs/dbraw/zinc/08/74/82/722087482.db2.gz LPROFCVVEYHTKI-MOPGFXCFSA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@@H]2S1(=O)=O ZINC001164972527 722087473 /nfs/dbraw/zinc/08/74/73/722087473.db2.gz LPROFCVVEYHTKI-OALUTQOASA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]2S1(=O)=O ZINC001164972532 722087548 /nfs/dbraw/zinc/08/75/48/722087548.db2.gz LPROFCVVEYHTKI-RBUKOAKNSA-N 0 3 435.594 0.996 20 0 ICADHN CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]2S1(=O)=O ZINC001164972536 722087536 /nfs/dbraw/zinc/08/75/36/722087536.db2.gz LPROFCVVEYHTKI-RTBURBONSA-N 0 3 435.594 0.996 20 0 ICADHN CN1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)N2CCNCC2)CC3)CC1 ZINC001164996633 722235570 /nfs/dbraw/zinc/23/55/70/722235570.db2.gz HKZNSBATCIDBHA-UHFFFAOYSA-N 0 3 436.564 0.274 20 0 ICADHN CN(C)C(=O)CN1CCC2(CCCN2c2nc3c(c(N4CCOCC4)n2)CNC3)CC1 ZINC001165011007 721743378 /nfs/dbraw/zinc/74/33/78/721743378.db2.gz SGUFZTRFVFTZRV-UHFFFAOYSA-N 0 3 429.569 0.439 20 0 ICADHN CN(C)Cc1ccnc(N2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)c1 ZINC001165013041 721751267 /nfs/dbraw/zinc/75/12/67/721751267.db2.gz IXOGIANZHWAMTQ-UHFFFAOYSA-N 0 3 436.520 0.774 20 0 ICADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001165014078 721766225 /nfs/dbraw/zinc/76/62/25/721766225.db2.gz COOMQQXDYTXLRH-UHFFFAOYSA-N 0 3 449.563 0.756 20 0 ICADHN Cn1c2[n-]c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)nc2c(=O)n(C)c1=O ZINC001460867774 1126192875 /nfs/dbraw/zinc/19/28/75/1126192875.db2.gz JLDJLJYZMMCTAO-GOSISDBHSA-N 0 3 436.310 0.806 20 0 ICADHN Cn1c2[n-]c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)nc2c(=O)n(C)c1=O ZINC001460867775 1126192821 /nfs/dbraw/zinc/19/28/21/1126192821.db2.gz JLDJLJYZMMCTAO-SFHVURJKSA-N 0 3 436.310 0.806 20 0 ICADHN Cc1[nH]cnc1CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001466447702 1068968000 /nfs/dbraw/zinc/96/80/00/1068968000.db2.gz JNPVVXNZDJOYAH-UHFFFAOYSA-N 0 3 430.508 0.181 20 0 ICADHN C[C@H]1CCN(CC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 ZINC001466448291 1068968108 /nfs/dbraw/zinc/96/81/08/1068968108.db2.gz QMKOQFUUWSJKNP-AWEZNQCLSA-N 0 3 433.552 0.249 20 0 ICADHN C[C@@H]1CCN(CC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 ZINC001466448292 1068968074 /nfs/dbraw/zinc/96/80/74/1068968074.db2.gz QMKOQFUUWSJKNP-CQSZACIVSA-N 0 3 433.552 0.249 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC001466459950 1068968487 /nfs/dbraw/zinc/96/84/87/1068968487.db2.gz YBONDOYGYDTKSU-KRWDZBQOSA-N 0 3 432.525 0.308 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC001466459951 1068968591 /nfs/dbraw/zinc/96/85/91/1068968591.db2.gz YBONDOYGYDTKSU-QGZVFWFLSA-N 0 3 432.525 0.308 20 0 ICADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001466482529 1068970566 /nfs/dbraw/zinc/97/05/66/1068970566.db2.gz FGYBPGBLALWFOK-AWEZNQCLSA-N 0 3 442.538 0.699 20 0 ICADHN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001466482530 1068970617 /nfs/dbraw/zinc/97/06/17/1068970617.db2.gz FGYBPGBLALWFOK-CQSZACIVSA-N 0 3 442.538 0.699 20 0 ICADHN CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC001466572031 1068975011 /nfs/dbraw/zinc/97/50/11/1068975011.db2.gz HQYAXIKCSWOTJN-HNNXBMFYSA-N 0 3 440.390 0.963 20 0 ICADHN CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC001466572032 1068975139 /nfs/dbraw/zinc/97/51/39/1068975139.db2.gz HQYAXIKCSWOTJN-OAHLLOKOSA-N 0 3 440.390 0.963 20 0 ICADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(CCO)CCN(C)CC2)c1 ZINC001466604560 1068976710 /nfs/dbraw/zinc/97/67/10/1068976710.db2.gz JZRGDNYINFPMIK-UHFFFAOYSA-N 0 3 433.958 0.841 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC001466715159 1068980493 /nfs/dbraw/zinc/98/04/93/1068980493.db2.gz AASSINNKXJTGRY-UHFFFAOYSA-N 0 3 439.542 0.978 20 0 ICADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3ccnn3CCN(C)C)CC2)cs1 ZINC001466715376 1068980470 /nfs/dbraw/zinc/98/04/70/1068980470.db2.gz DLZYWJLEBBTZEC-UHFFFAOYSA-N 0 3 427.556 0.748 20 0 ICADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccnn4CCN(C)C)CC3)C2=O)n(C)n1 ZINC001466814588 1068983596 /nfs/dbraw/zinc/98/35/96/1068983596.db2.gz FOPHYENJLALIJE-GOSISDBHSA-N 0 3 442.568 0.440 20 0 ICADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccnn4CCN(C)C)CC3)C2=O)n(C)n1 ZINC001466814589 1068983521 /nfs/dbraw/zinc/98/35/21/1068983521.db2.gz FOPHYENJLALIJE-SFHVURJKSA-N 0 3 442.568 0.440 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC001466830520 1068984084 /nfs/dbraw/zinc/98/40/84/1068984084.db2.gz VUIWCAZAVSGUER-UHFFFAOYSA-N 0 3 429.568 0.632 20 0 ICADHN CN(C)CCSc1nc(CC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cs1 ZINC001466865208 1068986287 /nfs/dbraw/zinc/98/62/87/1068986287.db2.gz LGCDECQBTLCZBZ-UHFFFAOYSA-N 0 3 444.608 0.596 20 0 ICADHN CN1C(=O)N[C@](C)(c2ccc(NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)C1=O ZINC001466956068 1068989483 /nfs/dbraw/zinc/98/94/83/1068989483.db2.gz QDJZIGYOOQTPHK-JOCHJYFZSA-N 0 3 442.520 0.855 20 0 ICADHN CN1C(=O)N[C@@](C)(c2ccc(NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)C1=O ZINC001466956069 1068989382 /nfs/dbraw/zinc/98/93/82/1068989382.db2.gz QDJZIGYOOQTPHK-QFIPXVFZSA-N 0 3 442.520 0.855 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC001466975743 1068990542 /nfs/dbraw/zinc/99/05/42/1068990542.db2.gz WITLWDAXARQUQI-UHFFFAOYSA-N 0 3 439.582 0.456 20 0 ICADHN C[C@@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001466978365 1068990460 /nfs/dbraw/zinc/99/04/60/1068990460.db2.gz GFPKIVPIHXGHPV-KRWDZBQOSA-N 0 3 439.601 0.987 20 0 ICADHN C[C@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001466978369 1068990386 /nfs/dbraw/zinc/99/03/86/1068990386.db2.gz GFPKIVPIHXGHPV-QGZVFWFLSA-N 0 3 439.601 0.987 20 0 ICADHN CN1CC[C@@](O)(CNC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)C1 ZINC001467018236 1068991888 /nfs/dbraw/zinc/99/18/88/1068991888.db2.gz FXOGEBPSKUSMBB-GOSISDBHSA-N 0 3 440.342 0.916 20 0 ICADHN CN1CC[C@](O)(CNC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)C1 ZINC001467018238 1068991878 /nfs/dbraw/zinc/99/18/78/1068991878.db2.gz FXOGEBPSKUSMBB-SFHVURJKSA-N 0 3 440.342 0.916 20 0 ICADHN COCCNS(=O)(=O)c1cccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC001467100268 1068993872 /nfs/dbraw/zinc/99/38/72/1068993872.db2.gz IJBPIWPMKNGHCO-INIZCTEOSA-N 0 3 427.571 0.616 20 0 ICADHN COCCNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC001467100295 1068993887 /nfs/dbraw/zinc/99/38/87/1068993887.db2.gz IJBPIWPMKNGHCO-MRXNPFEDSA-N 0 3 427.571 0.616 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001467143388 1068994448 /nfs/dbraw/zinc/99/44/48/1068994448.db2.gz WZXPKYQTHOUCKX-UHFFFAOYSA-N 0 3 447.536 0.842 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001467287168 1068998714 /nfs/dbraw/zinc/99/87/14/1068998714.db2.gz LPPCMGKSEHFWBI-PBHICJAKSA-N 0 3 432.974 0.121 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001467287170 1068998608 /nfs/dbraw/zinc/99/86/08/1068998608.db2.gz LPPCMGKSEHFWBI-RHSMWYFYSA-N 0 3 432.974 0.121 20 0 ICADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001467287172 1068998811 /nfs/dbraw/zinc/99/88/11/1068998811.db2.gz LPPCMGKSEHFWBI-WMLDXEAASA-N 0 3 432.974 0.121 20 0 ICADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001467287174 1068998676 /nfs/dbraw/zinc/99/86/76/1068998676.db2.gz LPPCMGKSEHFWBI-YOEHRIQHSA-N 0 3 432.974 0.121 20 0 ICADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001467290840 1068999204 /nfs/dbraw/zinc/99/92/04/1068999204.db2.gz WNHTYIFGFFDWDD-KRWDZBQOSA-N 0 3 438.594 0.588 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001467290841 1068999250 /nfs/dbraw/zinc/99/92/50/1068999250.db2.gz WNHTYIFGFFDWDD-QGZVFWFLSA-N 0 3 438.594 0.588 20 0 ICADHN CCN(CCO)CCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001467375653 1069002671 /nfs/dbraw/zinc/00/26/71/1069002671.db2.gz KNDOPFNIINBRTQ-UHFFFAOYSA-N 0 3 430.250 0.311 20 0 ICADHN CN1CCN(CCNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1(C)C ZINC001467468818 1069007698 /nfs/dbraw/zinc/00/76/98/1069007698.db2.gz FFVJBRJCNCSOMM-INIZCTEOSA-N 0 3 446.614 0.553 20 0 ICADHN CN1CCN(CCNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1(C)C ZINC001467468823 1069007809 /nfs/dbraw/zinc/00/78/09/1069007809.db2.gz FFVJBRJCNCSOMM-MRXNPFEDSA-N 0 3 446.614 0.553 20 0 ICADHN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001467495026 1069010333 /nfs/dbraw/zinc/01/03/33/1069010333.db2.gz IGYSENJYPKOARF-FQEVSTJZSA-N 0 3 446.548 0.414 20 0 ICADHN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001467495027 1069010936 /nfs/dbraw/zinc/01/09/36/1069010936.db2.gz IGYSENJYPKOARF-HXUWFJFHSA-N 0 3 446.548 0.414 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001467602936 1069017492 /nfs/dbraw/zinc/01/74/92/1069017492.db2.gz FEDNWTKPQOTBOV-HSZRJFAPSA-N 0 3 445.564 0.251 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001467602937 1069017913 /nfs/dbraw/zinc/01/79/13/1069017913.db2.gz FEDNWTKPQOTBOV-QHCPKHFHSA-N 0 3 445.564 0.251 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001467603120 1069018050 /nfs/dbraw/zinc/01/80/50/1069018050.db2.gz HMIPRCYQQVIWJX-UHFFFAOYSA-N 0 3 438.536 0.565 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)cc2)CC1 ZINC001467604678 1069017580 /nfs/dbraw/zinc/01/75/80/1069017580.db2.gz VMRJBOMZBNXUCQ-FQEVSTJZSA-N 0 3 437.610 0.905 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)cc2)CC1 ZINC001467604679 1069017777 /nfs/dbraw/zinc/01/77/77/1069017777.db2.gz VMRJBOMZBNXUCQ-HXUWFJFHSA-N 0 3 437.610 0.905 20 0 ICADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC001467604843 1069017853 /nfs/dbraw/zinc/01/78/53/1069017853.db2.gz YZMKXKSTYFCSAD-IBGZPJMESA-N 0 3 425.599 0.951 20 0 ICADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC001467604844 1069017968 /nfs/dbraw/zinc/01/79/68/1069017968.db2.gz YZMKXKSTYFCSAD-LJQANCHMSA-N 0 3 425.599 0.951 20 0 ICADHN COCCNS(=O)(=O)c1cc(NC(=O)C2CN(C3CCOCC3)C2)ccc1OC ZINC001467677295 1069024498 /nfs/dbraw/zinc/02/44/98/1069024498.db2.gz DWXLNOPKUKPWCR-UHFFFAOYSA-N 0 3 427.523 0.669 20 0 ICADHN CNC(=O)NC[C@H]1COCCN1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001467723986 1069027063 /nfs/dbraw/zinc/02/70/63/1069027063.db2.gz FCUHPHKXYIAGSF-FQEVSTJZSA-N 0 3 432.569 0.534 20 0 ICADHN CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001467723988 1069026923 /nfs/dbraw/zinc/02/69/23/1069026923.db2.gz FCUHPHKXYIAGSF-HXUWFJFHSA-N 0 3 432.569 0.534 20 0 ICADHN COC(OC)C(=O)N1CCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001467724572 1069026682 /nfs/dbraw/zinc/02/66/82/1069026682.db2.gz LDVBHLBHDSWRCH-FQEVSTJZSA-N 0 3 447.580 0.838 20 0 ICADHN COC(OC)C(=O)N1CCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001467724573 1069027811 /nfs/dbraw/zinc/02/78/11/1069027811.db2.gz LDVBHLBHDSWRCH-HXUWFJFHSA-N 0 3 447.580 0.838 20 0 ICADHN COC(OC)C(=O)N1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC001467725097 1069027749 /nfs/dbraw/zinc/02/77/49/1069027749.db2.gz NXCVCQWZBCGKQL-UHFFFAOYSA-N 0 3 447.580 0.667 20 0 ICADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NCCS(=O)(=O)N1CCCC1 ZINC001467725553 1069027393 /nfs/dbraw/zinc/02/73/93/1069027393.db2.gz SHXRHZQHLLDNSS-UHFFFAOYSA-N 0 3 437.610 0.919 20 0 ICADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC001467725670 1069027923 /nfs/dbraw/zinc/02/79/23/1069027923.db2.gz SUNTYSYDNDYGEF-GOSISDBHSA-N 0 3 438.536 0.938 20 0 ICADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC001467725673 1069028059 /nfs/dbraw/zinc/02/80/59/1069028059.db2.gz SUNTYSYDNDYGEF-SFHVURJKSA-N 0 3 438.536 0.938 20 0 ICADHN CNC(=O)NC[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC001467725696 1069027589 /nfs/dbraw/zinc/02/75/89/1069027589.db2.gz TXKOHGIAJKSLFR-FQEVSTJZSA-N 0 3 432.569 0.534 20 0 ICADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC001467725697 1069028125 /nfs/dbraw/zinc/02/81/25/1069028125.db2.gz TXKOHGIAJKSLFR-HXUWFJFHSA-N 0 3 432.569 0.534 20 0 ICADHN CNS(=O)(=O)c1cccc(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC001467726038 1069027479 /nfs/dbraw/zinc/02/74/79/1069027479.db2.gz VHFATOYFSQVUBN-UHFFFAOYSA-N 0 3 437.566 0.610 20 0 ICADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCCN1CCO ZINC001467756703 1069029074 /nfs/dbraw/zinc/02/90/74/1069029074.db2.gz POCDNMRWOHDTNR-GOSISDBHSA-N 0 3 440.566 0.354 20 0 ICADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1CCCCN1CCO ZINC001467756705 1069029349 /nfs/dbraw/zinc/02/93/49/1069029349.db2.gz POCDNMRWOHDTNR-SFHVURJKSA-N 0 3 440.566 0.354 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001467807463 1069033000 /nfs/dbraw/zinc/03/30/00/1069033000.db2.gz IVOBVBRSPUFDGW-CVEARBPZSA-N 0 3 442.969 0.803 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001467807465 1069032753 /nfs/dbraw/zinc/03/27/53/1069032753.db2.gz IVOBVBRSPUFDGW-HOTGVXAUSA-N 0 3 442.969 0.803 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001467807467 1069032903 /nfs/dbraw/zinc/03/29/03/1069032903.db2.gz IVOBVBRSPUFDGW-HZPDHXFCSA-N 0 3 442.969 0.803 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001467807469 1069032966 /nfs/dbraw/zinc/03/29/66/1069032966.db2.gz IVOBVBRSPUFDGW-JKSUJKDBSA-N 0 3 442.969 0.803 20 0 ICADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001467808806 1069033530 /nfs/dbraw/zinc/03/35/30/1069033530.db2.gz YTYVEWZGNFRIGJ-KBPBESRZSA-N 0 3 432.340 0.395 20 0 ICADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001467808807 1069033759 /nfs/dbraw/zinc/03/37/59/1069033759.db2.gz YTYVEWZGNFRIGJ-KGLIPLIRSA-N 0 3 432.340 0.395 20 0 ICADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001467808808 1069033579 /nfs/dbraw/zinc/03/35/79/1069033579.db2.gz YTYVEWZGNFRIGJ-UONOGXRCSA-N 0 3 432.340 0.395 20 0 ICADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001467808809 1069033813 /nfs/dbraw/zinc/03/38/13/1069033813.db2.gz YTYVEWZGNFRIGJ-ZIAGYGMSSA-N 0 3 432.340 0.395 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001467810681 1069033623 /nfs/dbraw/zinc/03/36/23/1069033623.db2.gz DLJTUNROACHDCL-DLBZAZTESA-N 0 3 425.526 0.894 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001467810682 1069033352 /nfs/dbraw/zinc/03/33/52/1069033352.db2.gz DLJTUNROACHDCL-IAGOWNOFSA-N 0 3 425.526 0.894 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001467810683 1069034671 /nfs/dbraw/zinc/03/46/71/1069034671.db2.gz DLJTUNROACHDCL-IRXDYDNUSA-N 0 3 425.526 0.894 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001467810684 1069034468 /nfs/dbraw/zinc/03/44/68/1069034468.db2.gz DLJTUNROACHDCL-SJORKVTESA-N 0 3 425.526 0.894 20 0 ICADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1=O ZINC001467812315 1069034516 /nfs/dbraw/zinc/03/45/16/1069034516.db2.gz ONLIKHCKVVBMJJ-DMPWYTOCSA-N 0 3 430.505 0.438 20 0 ICADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1=O ZINC001467812316 1069034296 /nfs/dbraw/zinc/03/42/96/1069034296.db2.gz ONLIKHCKVVBMJJ-MCFFVMPBSA-N 0 3 430.505 0.438 20 0 ICADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1=O ZINC001467812317 1069034127 /nfs/dbraw/zinc/03/41/27/1069034127.db2.gz ONLIKHCKVVBMJJ-VVBPWWLESA-N 0 3 430.505 0.438 20 0 ICADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1=O ZINC001467812320 1069034613 /nfs/dbraw/zinc/03/46/13/1069034613.db2.gz ONLIKHCKVVBMJJ-WCJKSRRJSA-N 0 3 430.505 0.438 20 0 ICADHN NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001467812339 1069034555 /nfs/dbraw/zinc/03/45/55/1069034555.db2.gz OXEGCUCRAMGUBF-AABGKKOBSA-N 0 3 430.549 0.427 20 0 ICADHN NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001467812340 1069034354 /nfs/dbraw/zinc/03/43/54/1069034354.db2.gz OXEGCUCRAMGUBF-AQNXPRMDSA-N 0 3 430.549 0.427 20 0 ICADHN NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001467812341 1069034050 /nfs/dbraw/zinc/03/40/50/1069034050.db2.gz OXEGCUCRAMGUBF-UFYCRDLUSA-N 0 3 430.549 0.427 20 0 ICADHN NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001467812342 1069034203 /nfs/dbraw/zinc/03/42/03/1069034203.db2.gz OXEGCUCRAMGUBF-ZCNNSNEGSA-N 0 3 430.549 0.427 20 0 ICADHN CN(C)C[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 ZINC001467814834 1069034413 /nfs/dbraw/zinc/03/44/13/1069034413.db2.gz PUUCMAWNNCYQQI-CYBMUJFWSA-N 0 3 433.290 0.780 20 0 ICADHN CN(C)C[C@@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 ZINC001467814835 1069033966 /nfs/dbraw/zinc/03/39/66/1069033966.db2.gz PUUCMAWNNCYQQI-ZDUSSCGKSA-N 0 3 433.290 0.780 20 0 ICADHN CCN(CC)[C@@H](CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1cccc(OC)c1 ZINC001467817702 1069034915 /nfs/dbraw/zinc/03/49/15/1069034915.db2.gz XDEMWMWFVHCMHI-AEFFLSMTSA-N 0 3 425.555 0.622 20 0 ICADHN CCN(CC)[C@H](CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1cccc(OC)c1 ZINC001467817704 1069035133 /nfs/dbraw/zinc/03/51/33/1069035133.db2.gz XDEMWMWFVHCMHI-FUHWJXTLSA-N 0 3 425.555 0.622 20 0 ICADHN CCN(CC)[C@H](CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1cccc(OC)c1 ZINC001467817706 1069035104 /nfs/dbraw/zinc/03/51/04/1069035104.db2.gz XDEMWMWFVHCMHI-SJLPKXTDSA-N 0 3 425.555 0.622 20 0 ICADHN CCN(CC)[C@@H](CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1cccc(OC)c1 ZINC001467817708 1069034962 /nfs/dbraw/zinc/03/49/62/1069034962.db2.gz XDEMWMWFVHCMHI-WMZOPIPTSA-N 0 3 425.555 0.622 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001467853691 1069039006 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/nfs/dbraw/zinc/10/14/35/1069101435.db2.gz QZALNQNAHJVJJP-LBPRGKRZSA-N 0 3 434.356 0.934 20 0 ICADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 ZINC001468321404 1069102039 /nfs/dbraw/zinc/10/20/39/1069102039.db2.gz VQYBTLZJXXTXDX-RBUKOAKNSA-N 0 3 436.578 0.909 20 0 ICADHN O=C(NCCS(=O)(=O)N1CCOCC1)NCC1CCN(Cc2ccncc2)CC1 ZINC001468355223 1069106051 /nfs/dbraw/zinc/10/60/51/1069106051.db2.gz HUEBLSDWJSDPKW-UHFFFAOYSA-N 0 3 425.555 0.255 20 0 ICADHN CSc1ccc([C@H](CNC(=O)NCCS(=O)(=O)N2CCOCC2)N(C)C)cc1 ZINC001468356473 1069107024 /nfs/dbraw/zinc/10/70/24/1069107024.db2.gz SGWNUNTUYZGBQR-KRWDZBQOSA-N 0 3 430.596 0.972 20 0 ICADHN CSc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)N2CCOCC2)N(C)C)cc1 ZINC001468356474 1069106867 /nfs/dbraw/zinc/10/68/67/1069106867.db2.gz SGWNUNTUYZGBQR-QGZVFWFLSA-N 0 3 430.596 0.972 20 0 ICADHN CCN1CCN(CC(C)(C)NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC001468363905 1069108766 /nfs/dbraw/zinc/10/87/66/1069108766.db2.gz SBFGWBQHIMEUHB-UHFFFAOYSA-N 0 3 445.612 0.836 20 0 ICADHN O=C(CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)N1CCN(c2ccccn2)CC1 ZINC001468364015 1069110034 /nfs/dbraw/zinc/11/00/34/1069110034.db2.gz WILGUDGDBBMFEA-IBGZPJMESA-N 0 3 430.553 0.673 20 0 ICADHN O=C(CCNC(=O)NC[C@H]1CCN1C1CCOCC1)N1CCN(c2ccccn2)CC1 ZINC001468364016 1069109868 /nfs/dbraw/zinc/10/98/68/1069109868.db2.gz WILGUDGDBBMFEA-LJQANCHMSA-N 0 3 430.553 0.673 20 0 ICADHN CN1CCN(C2CCN(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001468368542 1069109552 /nfs/dbraw/zinc/10/95/52/1069109552.db2.gz DJLTZYZMUMIEBC-UHFFFAOYSA-N 0 3 438.617 0.961 20 0 ICADHN CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC001468380712 1069111531 /nfs/dbraw/zinc/11/15/31/1069111531.db2.gz KJPGRUSOHNRFOY-UHFFFAOYSA-N 0 3 445.383 0.677 20 0 ICADHN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC001468382627 1069112646 /nfs/dbraw/zinc/11/26/46/1069112646.db2.gz OGNPWPGXONCRBW-UHFFFAOYSA-N 0 3 443.577 0.865 20 0 ICADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC(CN4CCN(C)CC4)C3)CC2)c1 ZINC001468383115 1069113290 /nfs/dbraw/zinc/11/32/90/1069113290.db2.gz TZJHHYGKYSFBSA-UHFFFAOYSA-N 0 3 449.621 0.153 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001468451735 1069119374 /nfs/dbraw/zinc/11/93/74/1069119374.db2.gz FIEISZCIRMMTNN-HNNXBMFYSA-N 0 3 429.518 0.215 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001468451738 1069119445 /nfs/dbraw/zinc/11/94/45/1069119445.db2.gz FIEISZCIRMMTNN-OAHLLOKOSA-N 0 3 429.518 0.215 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001468452223 1069119476 /nfs/dbraw/zinc/11/94/76/1069119476.db2.gz JGYKEKSBYVNTIQ-HNNXBMFYSA-N 0 3 427.546 0.210 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001468452225 1069119244 /nfs/dbraw/zinc/11/92/44/1069119244.db2.gz JGYKEKSBYVNTIQ-OAHLLOKOSA-N 0 3 427.546 0.210 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC001468452823 1069119505 /nfs/dbraw/zinc/11/95/05/1069119505.db2.gz NVIWDDHPSMSRIL-INIZCTEOSA-N 0 3 441.573 0.600 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC001468452824 1069119320 /nfs/dbraw/zinc/11/93/20/1069119320.db2.gz NVIWDDHPSMSRIL-MRXNPFEDSA-N 0 3 441.573 0.600 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001468453062 1069119530 /nfs/dbraw/zinc/11/95/30/1069119530.db2.gz PCFBGPALEZQPTM-KRWDZBQOSA-N 0 3 437.566 0.344 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001468453063 1069119138 /nfs/dbraw/zinc/11/91/38/1069119138.db2.gz PCFBGPALEZQPTM-QGZVFWFLSA-N 0 3 437.566 0.344 20 0 ICADHN COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)O1 ZINC001468453088 1069119272 /nfs/dbraw/zinc/11/92/72/1069119272.db2.gz PRVQIZKCYIZWGD-CADBVGFASA-N 0 3 426.558 0.534 20 0 ICADHN COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)O1 ZINC001468453089 1069119072 /nfs/dbraw/zinc/11/90/72/1069119072.db2.gz PRVQIZKCYIZWGD-INDMIFKZSA-N 0 3 426.558 0.534 20 0 ICADHN COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)O1 ZINC001468453090 1069118985 /nfs/dbraw/zinc/11/89/85/1069118985.db2.gz PRVQIZKCYIZWGD-WJFTUGDTSA-N 0 3 426.558 0.534 20 0 ICADHN COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)O1 ZINC001468453091 1069120405 /nfs/dbraw/zinc/12/04/05/1069120405.db2.gz PRVQIZKCYIZWGD-ZSYWTGECSA-N 0 3 426.558 0.534 20 0 ICADHN CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001468453221 1069120067 /nfs/dbraw/zinc/12/00/67/1069120067.db2.gz QVAZNGBTGPVCMH-UHFFFAOYSA-N 0 3 430.553 0.271 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001468453667 1069120522 /nfs/dbraw/zinc/12/05/22/1069120522.db2.gz UDHDDMLGIDVUAP-CYBMUJFWSA-N 0 3 448.446 0.253 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001468453668 1069120052 /nfs/dbraw/zinc/12/00/52/1069120052.db2.gz UDHDDMLGIDVUAP-ZDUSSCGKSA-N 0 3 448.446 0.253 20 0 ICADHN CCNS(=O)(=O)c1cccc(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001468454061 1069120253 /nfs/dbraw/zinc/12/02/53/1069120253.db2.gz WOCWSWOMDOGRMZ-GOSISDBHSA-N 0 3 439.582 0.727 20 0 ICADHN CCNS(=O)(=O)c1cccc(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001468454062 1069120460 /nfs/dbraw/zinc/12/04/60/1069120460.db2.gz WOCWSWOMDOGRMZ-SFHVURJKSA-N 0 3 439.582 0.727 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001468454298 1069120326 /nfs/dbraw/zinc/12/03/26/1069120326.db2.gz XDBLWTGVVZRROW-GOSISDBHSA-N 0 3 444.536 0.480 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001468454301 1069120150 /nfs/dbraw/zinc/12/01/50/1069120150.db2.gz XDBLWTGVVZRROW-SFHVURJKSA-N 0 3 444.536 0.480 20 0 ICADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC001468485951 1069121949 /nfs/dbraw/zinc/12/19/49/1069121949.db2.gz QBOSKVYZLVWVOZ-IBGZPJMESA-N 0 3 437.610 0.727 20 0 ICADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC001468485952 1069122060 /nfs/dbraw/zinc/12/20/60/1069122060.db2.gz QBOSKVYZLVWVOZ-LJQANCHMSA-N 0 3 437.610 0.727 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC001468511754 1069127388 /nfs/dbraw/zinc/12/73/88/1069127388.db2.gz HXFSJGOWDLJSKZ-UHFFFAOYSA-N 0 3 442.358 0.840 20 0 ICADHN COCCN(C)CCNC(=O)N1CCC(n2nncc2I)CC1 ZINC001468513444 1069127612 /nfs/dbraw/zinc/12/76/12/1069127612.db2.gz NOQXAYOPWUWAOO-UHFFFAOYSA-N 0 3 436.298 0.807 20 0 ICADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)s1 ZINC001468521143 1069128532 /nfs/dbraw/zinc/12/85/32/1069128532.db2.gz BVAKFFZRUVHFAA-CYBMUJFWSA-N 0 3 428.580 0.605 20 0 ICADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)C[C@H](C)C2)s1 ZINC001468521145 1069128949 /nfs/dbraw/zinc/12/89/49/1069128949.db2.gz BVAKFFZRUVHFAA-ZDUSSCGKSA-N 0 3 428.580 0.605 20 0 ICADHN CN1CCN(C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)c2ccccc2)CC1 ZINC001468580305 1069138981 /nfs/dbraw/zinc/13/89/81/1069138981.db2.gz NJNBUFMWPZEMQE-QNWVGRARSA-N 0 3 431.581 0.500 20 0 ICADHN CN1CCN(C[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)c2ccccc2)CC1 ZINC001468580312 1069139065 /nfs/dbraw/zinc/13/90/65/1069139065.db2.gz NJNBUFMWPZEMQE-QZNHQXDQSA-N 0 3 431.581 0.500 20 0 ICADHN CC(C)Oc1ccc([C@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)N(C)C)cc1 ZINC001468581288 1069138933 /nfs/dbraw/zinc/13/89/33/1069138933.db2.gz YWLOBSATRYJSOJ-KRWDZBQOSA-N 0 3 431.493 0.644 20 0 ICADHN CC(C)Oc1ccc([C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)N(C)C)cc1 ZINC001468581292 1069139118 /nfs/dbraw/zinc/13/91/18/1069139118.db2.gz YWLOBSATRYJSOJ-QGZVFWFLSA-N 0 3 431.493 0.644 20 0 ICADHN CN1CCN(Cc2cccc(CNC(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)c2)CC1 ZINC001468582616 1069138358 /nfs/dbraw/zinc/13/83/58/1069138358.db2.gz RWWLLEGTDIFJJT-UHFFFAOYSA-N 0 3 440.552 0.671 20 0 ICADHN CN1CCN(Cc2cccc(CNC(=O)NCCS(=O)(=O)C3CCOCC3)c2)CC1 ZINC001468582994 1069138692 /nfs/dbraw/zinc/13/86/92/1069138692.db2.gz WTXSVJIKUWSHJU-UHFFFAOYSA-N 0 3 438.594 0.827 20 0 ICADHN CN1CCN(Cc2cccc(CNC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)c2)CC1 ZINC001468583103 1069138852 /nfs/dbraw/zinc/13/88/52/1069138852.db2.gz ZGJWSXLRPAIHJH-NRFANRHFSA-N 0 3 436.578 0.533 20 0 ICADHN CN1CCN(Cc2cccc(CNC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)c2)CC1 ZINC001468583104 1069138441 /nfs/dbraw/zinc/13/84/41/1069138441.db2.gz ZGJWSXLRPAIHJH-OAQYLSRUSA-N 0 3 436.578 0.533 20 0 ICADHN O=C(CCNS(=O)(=O)c1cccc(Br)c1)N[C@H](CO)CN1CCCC1 ZINC001468606545 1069141813 /nfs/dbraw/zinc/14/18/13/1069141813.db2.gz SKJONMIJWJESKO-AWEZNQCLSA-N 0 3 434.356 0.690 20 0 ICADHN O=C(CCNS(=O)(=O)c1cccc(Br)c1)N[C@@H](CO)CN1CCCC1 ZINC001468606548 1069141695 /nfs/dbraw/zinc/14/16/95/1069141695.db2.gz SKJONMIJWJESKO-CQSZACIVSA-N 0 3 434.356 0.690 20 0 ICADHN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H](CO)CN1CCCC1 ZINC001468607135 1069141837 /nfs/dbraw/zinc/14/18/37/1069141837.db2.gz WZXSRIOJPYUQIS-HNNXBMFYSA-N 0 3 427.523 0.089 20 0 ICADHN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H](CO)CN1CCCC1 ZINC001468607137 1069141736 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425.530 0.081 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001469342334 1069217913 /nfs/dbraw/zinc/21/79/13/1069217913.db2.gz LLKFLGMMHSUZSD-HNNXBMFYSA-N 0 3 440.541 0.805 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001469342338 1069218893 /nfs/dbraw/zinc/21/88/93/1069218893.db2.gz LLKFLGMMHSUZSD-OAHLLOKOSA-N 0 3 440.541 0.805 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001469342422 1069218616 /nfs/dbraw/zinc/21/86/16/1069218616.db2.gz MJYCMDLMJYZRJI-JLTOFOAXSA-N 0 3 428.505 0.540 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001469342425 1069218643 /nfs/dbraw/zinc/21/86/43/1069218643.db2.gz MJYCMDLMJYZRJI-VBKZILBWSA-N 0 3 428.505 0.540 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001469342428 1069218554 /nfs/dbraw/zinc/21/85/54/1069218554.db2.gz MJYCMDLMJYZRJI-VLIAUNLRSA-N 0 3 428.505 0.540 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001469342431 1069218526 /nfs/dbraw/zinc/21/85/26/1069218526.db2.gz MJYCMDLMJYZRJI-XOBRGWDASA-N 0 3 428.505 0.540 20 0 ICADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC001469342703 1069218388 /nfs/dbraw/zinc/21/83/88/1069218388.db2.gz OEFKPWPBZRAOMR-HNNXBMFYSA-N 0 3 426.539 0.112 20 0 ICADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC001469342708 1069218921 /nfs/dbraw/zinc/21/89/21/1069218921.db2.gz OEFKPWPBZRAOMR-OAHLLOKOSA-N 0 3 426.539 0.112 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC001469342870 1069218850 /nfs/dbraw/zinc/21/88/50/1069218850.db2.gz PFZFTDRJNADFAV-CABCVRRESA-N 0 3 428.580 0.788 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC001469342874 1069218953 /nfs/dbraw/zinc/21/89/53/1069218953.db2.gz PFZFTDRJNADFAV-GJZGRUSLSA-N 0 3 428.580 0.788 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC001469342876 1069218491 /nfs/dbraw/zinc/21/84/91/1069218491.db2.gz PFZFTDRJNADFAV-HUUCEWRRSA-N 0 3 428.580 0.788 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC001469342878 1069218582 /nfs/dbraw/zinc/21/85/82/1069218582.db2.gz PFZFTDRJNADFAV-LSDHHAIUSA-N 0 3 428.580 0.788 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001469342985 1069218674 /nfs/dbraw/zinc/21/86/74/1069218674.db2.gz QEZLNBQIEYWACS-GFCCVEGCSA-N 0 3 436.456 0.562 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001469342987 1069218801 /nfs/dbraw/zinc/21/88/01/1069218801.db2.gz QEZLNBQIEYWACS-LBPRGKRZSA-N 0 3 436.456 0.562 20 0 ICADHN COc1cc(C(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1OC(F)F ZINC001469343334 1069218454 /nfs/dbraw/zinc/21/84/54/1069218454.db2.gz SBEYVMMCRDPEGQ-GFCCVEGCSA-N 0 3 428.436 0.605 20 0 ICADHN 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20 0 ICADHN Cc1c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001470127205 1069280245 /nfs/dbraw/zinc/28/02/45/1069280245.db2.gz XKMCPBUTEICKSV-CQSZACIVSA-N 0 3 432.550 0.670 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1nn(C)cc1I ZINC001470147156 1069283524 /nfs/dbraw/zinc/28/35/24/1069283524.db2.gz LSUINDOTEAUOOM-GFCCVEGCSA-N 0 3 434.326 0.850 20 0 ICADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1nn(C)cc1I ZINC001470147157 1069283282 /nfs/dbraw/zinc/28/32/82/1069283282.db2.gz LSUINDOTEAUOOM-LBPRGKRZSA-N 0 3 434.326 0.850 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1nn(C)cc1I ZINC001470148104 1069283444 /nfs/dbraw/zinc/28/34/44/1069283444.db2.gz SVKLCXSMFQEYKB-JTQLQIEISA-N 0 3 434.282 0.286 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1nn(C)cc1I ZINC001470148106 1069283485 /nfs/dbraw/zinc/28/34/85/1069283485.db2.gz SVKLCXSMFQEYKB-SNVBAGLBSA-N 0 3 434.282 0.286 20 0 ICADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCCS(=O)(=O)NC3CC3)CC2)cc1 ZINC001470219497 1069290911 /nfs/dbraw/zinc/29/09/11/1069290911.db2.gz RFHJDXDNCCTYLT-UHFFFAOYSA-N 0 3 437.566 0.990 20 0 ICADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3nnc4n3CCNC4=O)CC2)cc1 ZINC001470219777 1069290895 /nfs/dbraw/zinc/29/08/95/1069290895.db2.gz XIWPHGQEGXCTNQ-UHFFFAOYSA-N 0 3 440.508 0.444 20 0 ICADHN CSc1ccc([C@@H](CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)N(C)C)cc1 ZINC001470292239 1069303179 /nfs/dbraw/zinc/30/31/79/1069303179.db2.gz ZEIIKKZJUYFGJV-DOTOQJQBSA-N 0 3 430.596 0.971 20 0 ICADHN CSc1ccc([C@@H](CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)N(C)C)cc1 ZINC001470292240 1069303617 /nfs/dbraw/zinc/30/36/17/1069303617.db2.gz ZEIIKKZJUYFGJV-NVXWUHKLSA-N 0 3 430.596 0.971 20 0 ICADHN CSc1ccc([C@H](CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)N(C)C)cc1 ZINC001470292241 1069303379 /nfs/dbraw/zinc/30/33/79/1069303379.db2.gz ZEIIKKZJUYFGJV-RDJZCZTQSA-N 0 3 430.596 0.971 20 0 ICADHN CSc1ccc([C@H](CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)N(C)C)cc1 ZINC001470292242 1069303480 /nfs/dbraw/zinc/30/34/80/1069303480.db2.gz ZEIIKKZJUYFGJV-WBVHZDCISA-N 0 3 430.596 0.971 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC001470451630 1069318739 /nfs/dbraw/zinc/31/87/39/1069318739.db2.gz JQHAERZFRQRENV-UHFFFAOYSA-N 0 3 437.585 0.383 20 0 ICADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC001470491249 1069321462 /nfs/dbraw/zinc/32/14/62/1069321462.db2.gz HJYHFYYEWJHAJH-DOTOQJQBSA-N 0 3 441.598 0.806 20 0 ICADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC001470491252 1069321680 /nfs/dbraw/zinc/32/16/80/1069321680.db2.gz HJYHFYYEWJHAJH-NVXWUHKLSA-N 0 3 441.598 0.806 20 0 ICADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC001470491254 1069321526 /nfs/dbraw/zinc/32/15/26/1069321526.db2.gz HJYHFYYEWJHAJH-RDJZCZTQSA-N 0 3 441.598 0.806 20 0 ICADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC001470491257 1069321417 /nfs/dbraw/zinc/32/14/17/1069321417.db2.gz HJYHFYYEWJHAJH-WBVHZDCISA-N 0 3 441.598 0.806 20 0 ICADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 ZINC001470491792 1069321656 /nfs/dbraw/zinc/32/16/56/1069321656.db2.gz VLEMHJZJJPLUTQ-HNNXBMFYSA-N 0 3 428.555 0.655 20 0 ICADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 ZINC001470491793 1069321566 /nfs/dbraw/zinc/32/15/66/1069321566.db2.gz VLEMHJZJJPLUTQ-OAHLLOKOSA-N 0 3 428.555 0.655 20 0 ICADHN CN(CCO)CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001470564599 1069327122 /nfs/dbraw/zinc/32/71/22/1069327122.db2.gz FOGPCLWUJOSCGD-HNNXBMFYSA-N 0 3 433.958 0.793 20 0 ICADHN CN(CCO)CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001470564600 1069326930 /nfs/dbraw/zinc/32/69/30/1069326930.db2.gz FOGPCLWUJOSCGD-OAHLLOKOSA-N 0 3 433.958 0.793 20 0 ICADHN CN(CCO)CCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001470567118 1069327059 /nfs/dbraw/zinc/32/70/59/1069327059.db2.gz UPLAGDIOXHIKRW-UHFFFAOYSA-N 0 3 441.550 0.241 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1)Cc1ccccc1 ZINC001470591243 1069329246 /nfs/dbraw/zinc/32/92/46/1069329246.db2.gz RGCBDJDSZAYTCS-IBGZPJMESA-N 0 3 443.548 0.804 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1)Cc1ccccc1 ZINC001470591244 1069329209 /nfs/dbraw/zinc/32/92/09/1069329209.db2.gz RGCBDJDSZAYTCS-LJQANCHMSA-N 0 3 443.548 0.804 20 0 ICADHN O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001470596698 1069329822 /nfs/dbraw/zinc/32/98/22/1069329822.db2.gz FVEAQPYJWZRAOD-INIZCTEOSA-N 0 3 436.534 0.171 20 0 ICADHN O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001470596700 1069329614 /nfs/dbraw/zinc/32/96/14/1069329614.db2.gz FVEAQPYJWZRAOD-MRXNPFEDSA-N 0 3 436.534 0.171 20 0 ICADHN CNC(=O)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)Cc1ccc(OC)c(F)c1 ZINC001470624787 1069332743 /nfs/dbraw/zinc/33/27/43/1069332743.db2.gz PFZSZGHJKSNCRR-QXAKKESOSA-N 0 3 436.528 0.980 20 0 ICADHN CNC(=O)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)Cc1ccc(OC)c(F)c1 ZINC001470624790 1069332657 /nfs/dbraw/zinc/33/26/57/1069332657.db2.gz PFZSZGHJKSNCRR-UHOSZYNNSA-N 0 3 436.528 0.980 20 0 ICADHN CNC(=O)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)Cc1ccc(OC)c(F)c1 ZINC001470624793 1069332812 /nfs/dbraw/zinc/33/28/12/1069332812.db2.gz PFZSZGHJKSNCRR-WDSOQIARSA-N 0 3 436.528 0.980 20 0 ICADHN CNC(=O)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)Cc1ccc(OC)c(F)c1 ZINC001470624796 1069332914 /nfs/dbraw/zinc/33/29/14/1069332914.db2.gz PFZSZGHJKSNCRR-YTQUADARSA-N 0 3 436.528 0.980 20 0 ICADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CCCC1 ZINC001470670712 1069338198 /nfs/dbraw/zinc/33/81/98/1069338198.db2.gz UORFEVSCAAMRSV-FGTMMUONSA-N 0 3 431.603 0.182 20 0 ICADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CCCC1 ZINC001470670713 1069338478 /nfs/dbraw/zinc/33/84/78/1069338478.db2.gz UORFEVSCAAMRSV-KURKYZTESA-N 0 3 431.603 0.182 20 0 ICADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CCCC1 ZINC001470670714 1069338428 /nfs/dbraw/zinc/33/84/28/1069338428.db2.gz UORFEVSCAAMRSV-KZNAEPCWSA-N 0 3 431.603 0.182 20 0 ICADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CCCC1 ZINC001470670715 1069338241 /nfs/dbraw/zinc/33/82/41/1069338241.db2.gz UORFEVSCAAMRSV-SQNIBIBYSA-N 0 3 431.603 0.182 20 0 ICADHN COc1ccc(N2C[C@@H](NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2=O)cc1 ZINC001470757467 1069349715 /nfs/dbraw/zinc/34/97/15/1069349715.db2.gz HQXQVFHIQYMACE-KRWDZBQOSA-N 0 3 429.521 0.750 20 0 ICADHN COc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2=O)cc1 ZINC001470757468 1069349885 /nfs/dbraw/zinc/34/98/85/1069349885.db2.gz HQXQVFHIQYMACE-QGZVFWFLSA-N 0 3 429.521 0.750 20 0 ICADHN CCCCNC(=O)CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC1 ZINC001470805019 1069354285 /nfs/dbraw/zinc/35/42/85/1069354285.db2.gz JSMMTFLXPZTUMI-UHFFFAOYSA-N 0 3 430.553 0.978 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001470864075 1069363905 /nfs/dbraw/zinc/36/39/05/1069363905.db2.gz OOFDYIVQPHCTEU-IBGZPJMESA-N 0 3 431.537 0.314 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001470864077 1069363881 /nfs/dbraw/zinc/36/38/81/1069363881.db2.gz OOFDYIVQPHCTEU-LJQANCHMSA-N 0 3 431.537 0.314 20 0 ICADHN COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC001470877235 1069365163 /nfs/dbraw/zinc/36/51/63/1069365163.db2.gz JEFTWRRXBJKIHV-HNNXBMFYSA-N 0 3 428.493 0.697 20 0 ICADHN COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC001470877236 1069365259 /nfs/dbraw/zinc/36/52/59/1069365259.db2.gz JEFTWRRXBJKIHV-OAHLLOKOSA-N 0 3 428.493 0.697 20 0 ICADHN CN(C)C[C@H](NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)c1cccc(C(F)(F)F)c1 ZINC001470924339 1069368473 /nfs/dbraw/zinc/36/84/73/1069368473.db2.gz YSWKTZWERHJSLL-AWEZNQCLSA-N 0 3 441.410 0.876 20 0 ICADHN CN(C)C[C@@H](NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)c1cccc(C(F)(F)F)c1 ZINC001470924341 1069368294 /nfs/dbraw/zinc/36/82/94/1069368294.db2.gz YSWKTZWERHJSLL-CQSZACIVSA-N 0 3 441.410 0.876 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC001470935926 1069370749 /nfs/dbraw/zinc/37/07/49/1069370749.db2.gz PONPEIJJSUOWPJ-FCHUYYIVSA-N 0 3 442.608 0.751 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC001470935931 1069370900 /nfs/dbraw/zinc/37/09/00/1069370900.db2.gz PONPEIJJSUOWPJ-FGZHOGPDSA-N 0 3 442.608 0.751 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC001470935935 1069370825 /nfs/dbraw/zinc/37/08/25/1069370825.db2.gz PONPEIJJSUOWPJ-VXKWHMMOSA-N 0 3 442.608 0.751 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC001470935938 1069370642 /nfs/dbraw/zinc/37/06/42/1069370642.db2.gz PONPEIJJSUOWPJ-YADHBBJMSA-N 0 3 442.608 0.751 20 0 ICADHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 ZINC001471001532 1069379681 /nfs/dbraw/zinc/37/96/81/1069379681.db2.gz FUMUJDLICYQZQM-DLBZAZTESA-N 0 3 425.551 0.719 20 0 ICADHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC001471001533 1069379535 /nfs/dbraw/zinc/37/95/35/1069379535.db2.gz FUMUJDLICYQZQM-IRXDYDNUSA-N 0 3 425.551 0.719 20 0 ICADHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001471002117 1069379500 /nfs/dbraw/zinc/37/95/00/1069379500.db2.gz MTBDDGZLUXXQEO-INIZCTEOSA-N 0 3 425.551 0.407 20 0 ICADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC001471047956 1069383744 /nfs/dbraw/zinc/38/37/44/1069383744.db2.gz FDAINDJCXJREOV-AWEZNQCLSA-N 0 3 446.533 0.238 20 0 ICADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC001471047957 1069383848 /nfs/dbraw/zinc/38/38/48/1069383848.db2.gz FDAINDJCXJREOV-CQSZACIVSA-N 0 3 446.533 0.238 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)NC[C@H]2COCCN2C)CC1)Cc1ccccc1 ZINC001471078126 1069387314 /nfs/dbraw/zinc/38/73/14/1069387314.db2.gz QXPWTNJPLOQCKP-NRFANRHFSA-N 0 3 431.581 0.987 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)NC[C@@H]2COCCN2C)CC1)Cc1ccccc1 ZINC001471078128 1069387207 /nfs/dbraw/zinc/38/72/07/1069387207.db2.gz QXPWTNJPLOQCKP-OAQYLSRUSA-N 0 3 431.581 0.987 20 0 ICADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 ZINC001471089769 1069388460 /nfs/dbraw/zinc/38/84/60/1069388460.db2.gz YJBGDDSVNQVWKY-UHFFFAOYSA-N 0 3 428.537 0.661 20 0 ICADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001471098294 1069389918 /nfs/dbraw/zinc/38/99/18/1069389918.db2.gz DYODPUSKOWZDBS-FQEVSTJZSA-N 0 3 426.464 0.666 20 0 ICADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001471098297 1069389895 /nfs/dbraw/zinc/38/98/95/1069389895.db2.gz DYODPUSKOWZDBS-HXUWFJFHSA-N 0 3 426.464 0.666 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471104225 1069391009 /nfs/dbraw/zinc/39/10/09/1069391009.db2.gz WDQMNMWXUGWGLU-GOSISDBHSA-N 0 3 437.585 0.741 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471104227 1069391181 /nfs/dbraw/zinc/39/11/81/1069391181.db2.gz WDQMNMWXUGWGLU-SFHVURJKSA-N 0 3 437.585 0.741 20 0 ICADHN CN1CCN(C2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)CC1 ZINC001471134156 1069393564 /nfs/dbraw/zinc/39/35/64/1069393564.db2.gz FJEKFAIJTCYFEN-UHFFFAOYSA-N 0 3 428.537 0.660 20 0 ICADHN CN(C)CCN1CCN(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1=O ZINC001471143216 1069394659 /nfs/dbraw/zinc/39/46/59/1069394659.db2.gz FZJIEQNWHCHWMR-INIZCTEOSA-N 0 3 439.557 0.125 20 0 ICADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1=O ZINC001471143218 1069394569 /nfs/dbraw/zinc/39/45/69/1069394569.db2.gz FZJIEQNWHCHWMR-MRXNPFEDSA-N 0 3 439.557 0.125 20 0 ICADHN CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1=O ZINC001471150345 1069395287 /nfs/dbraw/zinc/39/52/87/1069395287.db2.gz WXLPTGKCFSVNAD-BZSNNMDCSA-N 0 3 438.569 0.950 20 0 ICADHN CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1=O ZINC001471150346 1069395140 /nfs/dbraw/zinc/39/51/40/1069395140.db2.gz WXLPTGKCFSVNAD-KSZLIROESA-N 0 3 438.569 0.950 20 0 ICADHN CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1=O ZINC001471150347 1069395437 /nfs/dbraw/zinc/39/54/37/1069395437.db2.gz WXLPTGKCFSVNAD-OKZBNKHCSA-N 0 3 438.569 0.950 20 0 ICADHN CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1=O ZINC001471150348 1069395379 /nfs/dbraw/zinc/39/53/79/1069395379.db2.gz WXLPTGKCFSVNAD-RCCFBDPRSA-N 0 3 438.569 0.950 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1c(I)cnn1C ZINC001471161659 1069396566 /nfs/dbraw/zinc/39/65/66/1069396566.db2.gz DLRXLPXKQNTZGN-JTQLQIEISA-N 0 3 434.282 0.286 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1c(I)cnn1C ZINC001471161664 1069396383 /nfs/dbraw/zinc/39/63/83/1069396383.db2.gz DLRXLPXKQNTZGN-SNVBAGLBSA-N 0 3 434.282 0.286 20 0 ICADHN CN1CCN(C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)CC1 ZINC001471233551 1069405696 /nfs/dbraw/zinc/40/56/96/1069405696.db2.gz ARZZQAKDKDRGGT-UHFFFAOYSA-N 0 3 445.383 0.949 20 0 ICADHN C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001471234631 1069405542 /nfs/dbraw/zinc/40/55/42/1069405542.db2.gz FDBIWARHBYYAHT-PBHICJAKSA-N 0 3 430.596 0.014 20 0 ICADHN C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001471234633 1069405817 /nfs/dbraw/zinc/40/58/17/1069405817.db2.gz FDBIWARHBYYAHT-RHSMWYFYSA-N 0 3 430.596 0.014 20 0 ICADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001471234635 1069405713 /nfs/dbraw/zinc/40/57/13/1069405713.db2.gz FDBIWARHBYYAHT-WMLDXEAASA-N 0 3 430.596 0.014 20 0 ICADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001471234637 1069405731 /nfs/dbraw/zinc/40/57/31/1069405731.db2.gz FDBIWARHBYYAHT-YOEHRIQHSA-N 0 3 430.596 0.014 20 0 ICADHN CN1CCN(C2CCN(C(=O)c3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)CC2)CC1 ZINC001471235042 1069405799 /nfs/dbraw/zinc/40/57/99/1069405799.db2.gz NXUVUYGFGFKPAR-UHFFFAOYSA-N 0 3 433.557 0.922 20 0 ICADHN CN1CCN(C2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC001471235477 1069405584 /nfs/dbraw/zinc/40/55/84/1069405584.db2.gz JTDVLSAAKPVWSK-JOCHJYFZSA-N 0 3 431.512 0.831 20 0 ICADHN CN1CCN(C2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC001471235480 1069405606 /nfs/dbraw/zinc/40/56/06/1069405606.db2.gz JTDVLSAAKPVWSK-QFIPXVFZSA-N 0 3 431.512 0.831 20 0 ICADHN CN1CCN(C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)CC1 ZINC001471236330 1069405675 /nfs/dbraw/zinc/40/56/75/1069405675.db2.gz RGXAFHZXIGINLC-RTWAWAEBSA-N 0 3 430.549 0.997 20 0 ICADHN CN(C)CCN1CCN(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1=O ZINC001471264063 1069407496 /nfs/dbraw/zinc/40/74/96/1069407496.db2.gz HODUPGRLLDMZNL-FQEVSTJZSA-N 0 3 427.546 0.428 20 0 ICADHN CN(C)CCN1CCN(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1=O ZINC001471264064 1069407535 /nfs/dbraw/zinc/40/75/35/1069407535.db2.gz HODUPGRLLDMZNL-HXUWFJFHSA-N 0 3 427.546 0.428 20 0 ICADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001471305338 1069413148 /nfs/dbraw/zinc/41/31/48/1069413148.db2.gz KHCDUEOXQSSLPG-SFHVURJKSA-N 0 3 445.564 0.656 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001471305451 1069413752 /nfs/dbraw/zinc/41/37/52/1069413752.db2.gz MSHRJDXKAWCRAK-IBGZPJMESA-N 0 3 431.537 0.314 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001471305452 1069413735 /nfs/dbraw/zinc/41/37/35/1069413735.db2.gz MSHRJDXKAWCRAK-LJQANCHMSA-N 0 3 431.537 0.314 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001471306321 1069413796 /nfs/dbraw/zinc/41/37/96/1069413796.db2.gz WLOMRAZRZHGYBP-UHFFFAOYSA-N 0 3 445.564 0.515 20 0 ICADHN CN(CCCN1CCN(C)CC1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC001471306567 1069413721 /nfs/dbraw/zinc/41/37/21/1069413721.db2.gz YITDHCYMHHRISR-UHFFFAOYSA-N 0 3 432.569 0.040 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001471311340 1069414914 /nfs/dbraw/zinc/41/49/14/1069414914.db2.gz UMRQINBHNGVABG-UHFFFAOYSA-N 0 3 427.571 0.239 20 0 ICADHN COC(=O)[C@H]1CN(C)CCN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001471322869 1069417189 /nfs/dbraw/zinc/41/71/89/1069417189.db2.gz RBHOSUXMBAPXRN-INIZCTEOSA-N 0 3 441.573 0.722 20 0 ICADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001471322870 1069417164 /nfs/dbraw/zinc/41/71/64/1069417164.db2.gz RBHOSUXMBAPXRN-MRXNPFEDSA-N 0 3 441.573 0.722 20 0 ICADHN CN1CCN(C)CCN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001471323068 1069417301 /nfs/dbraw/zinc/41/73/01/1069417301.db2.gz SQDLICRSVLWIFS-UHFFFAOYSA-N 0 3 426.606 0.864 20 0 ICADHN CN(C(=O)NCCc1nnc2c(=O)n(C)ccn12)C1CCN(CCc2ccccn2)CC1 ZINC001471365634 1069421712 /nfs/dbraw/zinc/42/17/12/1069421712.db2.gz CNTKIFSHSUWGTD-UHFFFAOYSA-N 0 3 438.536 0.714 20 0 ICADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 ZINC001471397203 1069429602 /nfs/dbraw/zinc/42/96/02/1069429602.db2.gz BJUYUKUEADNRQU-BTYIYWSLSA-N 0 3 440.541 0.685 20 0 ICADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 ZINC001471397204 1069429684 /nfs/dbraw/zinc/42/96/84/1069429684.db2.gz BJUYUKUEADNRQU-QVKFZJNVSA-N 0 3 440.541 0.685 20 0 ICADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 ZINC001471397205 1069429782 /nfs/dbraw/zinc/42/97/82/1069429782.db2.gz BJUYUKUEADNRQU-VFNWGFHPSA-N 0 3 440.541 0.685 20 0 ICADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 ZINC001471397206 1069429872 /nfs/dbraw/zinc/42/98/72/1069429872.db2.gz BJUYUKUEADNRQU-YCRPNKLZSA-N 0 3 440.541 0.685 20 0 ICADHN NC(=O)C1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)CC1 ZINC001471438357 1069436779 /nfs/dbraw/zinc/43/67/79/1069436779.db2.gz CXIOTMAVXRKHNL-IBGZPJMESA-N 0 3 435.569 0.385 20 0 ICADHN NC(=O)C1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)CC1 ZINC001471438361 1069436999 /nfs/dbraw/zinc/43/69/99/1069436999.db2.gz CXIOTMAVXRKHNL-LJQANCHMSA-N 0 3 435.569 0.385 20 0 ICADHN COCCn1cc(CNC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)c(=O)[nH]c1=O ZINC001471467529 1069442664 /nfs/dbraw/zinc/44/26/64/1069442664.db2.gz OGIJINKBKYYHBW-UHFFFAOYSA-N 0 3 430.465 0.142 20 0 ICADHN CN(CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)CCOCCO ZINC001471515098 1069446894 /nfs/dbraw/zinc/44/68/94/1069446894.db2.gz PVNRHWNGWNZAGC-UHFFFAOYSA-N 0 3 428.283 0.102 20 0 ICADHN CN(CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)CCOCCO ZINC001471518295 1069447574 /nfs/dbraw/zinc/44/75/74/1069447574.db2.gz QIXLXRDBFDFSCZ-AWEZNQCLSA-N 0 3 428.327 0.859 20 0 ICADHN CN(CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)CCOCCO ZINC001471518298 1069447524 /nfs/dbraw/zinc/44/75/24/1069447524.db2.gz QIXLXRDBFDFSCZ-CQSZACIVSA-N 0 3 428.327 0.859 20 0 ICADHN C[C@H]1Cn2nc(C(=O)NCCN(C)CCOCCO)cc2CN1C(=O)OC(C)(C)C ZINC001471518380 1069447410 /nfs/dbraw/zinc/44/74/10/1069447410.db2.gz SEJOLNAEUZKZTN-HNNXBMFYSA-N 0 3 425.530 0.693 20 0 ICADHN C[C@@H]1Cn2nc(C(=O)NCCN(C)CCOCCO)cc2CN1C(=O)OC(C)(C)C ZINC001471518381 1069447621 /nfs/dbraw/zinc/44/76/21/1069447621.db2.gz SEJOLNAEUZKZTN-OAHLLOKOSA-N 0 3 425.530 0.693 20 0 ICADHN CN(CCNC(=O)c1cccn2c(I)cnc12)CCOCCO ZINC001471518807 1069448284 /nfs/dbraw/zinc/44/82/84/1069448284.db2.gz WXSXYTVLGFYSNX-UHFFFAOYSA-N 0 3 432.262 0.609 20 0 ICADHN CN(c1cccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1)S(C)(=O)=O ZINC001471553794 1069454959 /nfs/dbraw/zinc/45/49/59/1069454959.db2.gz IIUCKKYAXPJPEV-GOSISDBHSA-N 0 3 437.566 0.530 20 0 ICADHN CN(c1cccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1)S(C)(=O)=O ZINC001471553797 1069455037 /nfs/dbraw/zinc/45/50/37/1069455037.db2.gz IIUCKKYAXPJPEV-SFHVURJKSA-N 0 3 437.566 0.530 20 0 ICADHN CN1CCN(C2CCN(C(=O)NCCOCCOCC(=O)OC(C)(C)C)CC2)CC1 ZINC001471559426 1069455653 /nfs/dbraw/zinc/45/56/53/1069455653.db2.gz YPUPYBDRSBROFC-UHFFFAOYSA-N 0 3 428.574 0.783 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC001471567419 1069456334 /nfs/dbraw/zinc/45/63/34/1069456334.db2.gz BCVCRYKGTPHPCX-UHFFFAOYSA-N 0 3 428.580 0.749 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC001471567871 1069456287 /nfs/dbraw/zinc/45/62/87/1069456287.db2.gz GLVBEWWNTJAWCU-UHFFFAOYSA-N 0 3 430.553 0.888 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001471568131 1069456779 /nfs/dbraw/zinc/45/67/79/1069456779.db2.gz XFGFTAPWDKEICR-GOSISDBHSA-N 0 3 437.566 0.215 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001471568136 1069456767 /nfs/dbraw/zinc/45/67/67/1069456767.db2.gz XFGFTAPWDKEICR-SFHVURJKSA-N 0 3 437.566 0.215 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001471569395 1069456827 /nfs/dbraw/zinc/45/68/27/1069456827.db2.gz VELOHLXWTJHOTK-UHFFFAOYSA-N 0 3 440.541 0.827 20 0 ICADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001471569545 1069456850 /nfs/dbraw/zinc/45/68/50/1069456850.db2.gz XAPZXZMMFLUEPJ-AWEZNQCLSA-N 0 3 428.580 0.747 20 0 ICADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001471569546 1069456998 /nfs/dbraw/zinc/45/69/98/1069456998.db2.gz XAPZXZMMFLUEPJ-CQSZACIVSA-N 0 3 428.580 0.747 20 0 ICADHN CCn1c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2[nH]c(=O)c1=O ZINC001471569572 1069456793 /nfs/dbraw/zinc/45/67/93/1069456793.db2.gz YBFJIWBIOHHZBV-UHFFFAOYSA-N 0 3 427.505 0.656 20 0 ICADHN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001471599723 1069459941 /nfs/dbraw/zinc/45/99/41/1069459941.db2.gz FWZSOSWKITXTQC-DZUCGIPZSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001471599723 1069459939 /nfs/dbraw/zinc/45/99/39/1069459939.db2.gz FWZSOSWKITXTQC-DZUCGIPZSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@H]1CN(C)CCN1C ZINC001471599723 1069459937 /nfs/dbraw/zinc/45/99/37/1069459937.db2.gz FWZSOSWKITXTQC-DZUCGIPZSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001471599732 1069459687 /nfs/dbraw/zinc/45/96/87/1069459687.db2.gz FWZSOSWKITXTQC-ORQFMDKSSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001471599732 1069459683 /nfs/dbraw/zinc/45/96/83/1069459683.db2.gz FWZSOSWKITXTQC-ORQFMDKSSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@@H]1CN(C)CCN1C ZINC001471599732 1069459675 /nfs/dbraw/zinc/45/96/75/1069459675.db2.gz FWZSOSWKITXTQC-ORQFMDKSSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001471599735 1069459751 /nfs/dbraw/zinc/45/97/51/1069459751.db2.gz FWZSOSWKITXTQC-SIXLDLHFSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001471599735 1069459746 /nfs/dbraw/zinc/45/97/46/1069459746.db2.gz FWZSOSWKITXTQC-SIXLDLHFSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@@H]1CN(C)CCN1C ZINC001471599735 1069459739 /nfs/dbraw/zinc/45/97/39/1069459739.db2.gz FWZSOSWKITXTQC-SIXLDLHFSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001471599739 1069460003 /nfs/dbraw/zinc/46/00/03/1069460003.db2.gz FWZSOSWKITXTQC-SVGFKBNWSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001471599739 1069460001 /nfs/dbraw/zinc/46/00/01/1069460001.db2.gz FWZSOSWKITXTQC-SVGFKBNWSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)[C@H]1CN(C)CCN1C ZINC001471599739 1069460000 /nfs/dbraw/zinc/46/00/00/1069460000.db2.gz FWZSOSWKITXTQC-SVGFKBNWSA-N 0 3 449.518 0.878 20 0 ICADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)c2)C[C@H](C)O1 ZINC001471641446 1069464802 /nfs/dbraw/zinc/46/48/02/1069464802.db2.gz HDNRFABELXCLFS-OGWHTMIXSA-N 0 3 437.562 0.766 20 0 ICADHN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)c2)C[C@H](C)O1 ZINC001471641447 1069464601 /nfs/dbraw/zinc/46/46/01/1069464601.db2.gz HDNRFABELXCLFS-PBWTXFEYSA-N 0 3 437.562 0.766 20 0 ICADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)c2)C[C@@H](C)O1 ZINC001471641448 1069464686 /nfs/dbraw/zinc/46/46/86/1069464686.db2.gz HDNRFABELXCLFS-ZAWLATJESA-N 0 3 437.562 0.766 20 0 ICADHN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1 ZINC001471641817 1069465466 /nfs/dbraw/zinc/46/54/66/1069465466.db2.gz WTVLQKZDURFKAI-DLBZAZTESA-N 0 3 430.534 0.827 20 0 ICADHN CN(CCO)CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC001471867780 1069502644 /nfs/dbraw/zinc/50/26/44/1069502644.db2.gz IYBWNKRAHWMBQC-FQEVSTJZSA-N 0 3 435.521 0.982 20 0 ICADHN CN(CCO)CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 ZINC001471867782 1069502594 /nfs/dbraw/zinc/50/25/94/1069502594.db2.gz IYBWNKRAHWMBQC-HXUWFJFHSA-N 0 3 435.521 0.982 20 0 ICADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCN(C)CCO)c12 ZINC001471868086 1069502567 /nfs/dbraw/zinc/50/25/67/1069502567.db2.gz OQPFEUCYUREJHP-HNNXBMFYSA-N 0 3 435.550 0.631 20 0 ICADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCN(C)CCO)c12 ZINC001471868088 1069502604 /nfs/dbraw/zinc/50/26/04/1069502604.db2.gz OQPFEUCYUREJHP-OAHLLOKOSA-N 0 3 435.550 0.631 20 0 ICADHN CN(CCO)CCNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC001471868190 1069502738 /nfs/dbraw/zinc/50/27/38/1069502738.db2.gz QHNBRYZQJZYRST-UHFFFAOYSA-N 0 3 431.350 0.746 20 0 ICADHN Cn1ccn2c(CCNC(=O)CCN3CCN(c4cccc(Cl)c4)CC3)nnc2c1=O ZINC001471910274 1069506397 /nfs/dbraw/zinc/50/63/97/1069506397.db2.gz PLEAPTHGWAMLTI-UHFFFAOYSA-N 0 3 443.939 0.952 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(C)[C@@H]3C)ccc2F)CC1 ZINC001471940674 1069509923 /nfs/dbraw/zinc/50/99/23/1069509923.db2.gz GDSBTSGALCYGOI-CXAGYDPISA-N 0 3 426.514 0.501 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCN(C)[C@@H]3C)ccc2F)CC1 ZINC001471940675 1069510445 /nfs/dbraw/zinc/51/04/45/1069510445.db2.gz GDSBTSGALCYGOI-DYVFJYSZSA-N 0 3 426.514 0.501 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCN(C)[C@H]3C)ccc2F)CC1 ZINC001471940676 1069510489 /nfs/dbraw/zinc/51/04/89/1069510489.db2.gz GDSBTSGALCYGOI-GUYCJALGSA-N 0 3 426.514 0.501 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(C)[C@H]3C)ccc2F)CC1 ZINC001471940677 1069510398 /nfs/dbraw/zinc/51/03/98/1069510398.db2.gz GDSBTSGALCYGOI-SUMWQHHRSA-N 0 3 426.514 0.501 20 0 ICADHN NS(=O)(=O)c1ccc(OCCSCC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC001472067748 1069523912 /nfs/dbraw/zinc/52/39/12/1069523912.db2.gz BHHXUUVYKNMZAD-INIZCTEOSA-N 0 3 443.591 0.816 20 0 ICADHN NS(=O)(=O)c1ccc(OCCSCC(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC001472067749 1069523854 /nfs/dbraw/zinc/52/38/54/1069523854.db2.gz BHHXUUVYKNMZAD-MRXNPFEDSA-N 0 3 443.591 0.816 20 0 ICADHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001472069208 1069523834 /nfs/dbraw/zinc/52/38/34/1069523834.db2.gz MPYNFGVQUASPSJ-HNNXBMFYSA-N 0 3 428.580 0.735 20 0 ICADHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001472069209 1069523942 /nfs/dbraw/zinc/52/39/42/1069523942.db2.gz MPYNFGVQUASPSJ-OAHLLOKOSA-N 0 3 428.580 0.735 20 0 ICADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2=O)c1 ZINC001472069937 1069523868 /nfs/dbraw/zinc/52/38/68/1069523868.db2.gz UKMDLJVPRHCFIO-PBHICJAKSA-N 0 3 436.534 0.056 20 0 ICADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@H]3CCN3C3CCOCC3)CC2=O)c1 ZINC001472069941 1069523927 /nfs/dbraw/zinc/52/39/27/1069523927.db2.gz UKMDLJVPRHCFIO-RHSMWYFYSA-N 0 3 436.534 0.056 20 0 ICADHN NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@H]3CCN3C3CCOCC3)CC2=O)c1 ZINC001472069943 1069524537 /nfs/dbraw/zinc/52/45/37/1069524537.db2.gz UKMDLJVPRHCFIO-WMLDXEAASA-N 0 3 436.534 0.056 20 0 ICADHN NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2=O)c1 ZINC001472069947 1069524566 /nfs/dbraw/zinc/52/45/66/1069524566.db2.gz UKMDLJVPRHCFIO-YOEHRIQHSA-N 0 3 436.534 0.056 20 0 ICADHN COC(=O)[C@@H]1CN(C(=O)c2ccnn2CCN(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001472079471 1069525128 /nfs/dbraw/zinc/52/51/28/1069525128.db2.gz WFAKBVVQGGLKHH-HNNXBMFYSA-N 0 3 435.525 0.927 20 0 ICADHN COC(=O)[C@H]1CN(C(=O)c2ccnn2CCN(C)C)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001472079474 1069525462 /nfs/dbraw/zinc/52/54/62/1069525462.db2.gz WFAKBVVQGGLKHH-OAHLLOKOSA-N 0 3 435.525 0.927 20 0 ICADHN Cn1cc(/C=C\C(=O)N2CCCN(Cc3ccccc3)CCOCC2)c(=O)n(C)c1=O ZINC001472130619 1069530608 /nfs/dbraw/zinc/53/06/08/1069530608.db2.gz BEBHGHNHWWOZBW-KTKRTIGZSA-N 0 3 426.517 0.848 20 0 ICADHN Cn1cc(/C=C/C(=O)N2CCCN(Cc3ccccc3)CCOCC2)c(=O)n(C)c1=O ZINC001472130621 1069530664 /nfs/dbraw/zinc/53/06/64/1069530664.db2.gz BEBHGHNHWWOZBW-MDZDMXLPSA-N 0 3 426.517 0.848 20 0 ICADHN CS(=O)(=O)N1CCN(CC(=O)N2CCCN(Cc3ccccc3)CCOCC2)CC1 ZINC001472133925 1069530766 /nfs/dbraw/zinc/53/07/66/1069530766.db2.gz IAEGZHZCHOWAMK-UHFFFAOYSA-N 0 3 438.594 0.315 20 0 ICADHN CCOCCS(=O)(=O)NCC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001472134103 1069530789 /nfs/dbraw/zinc/53/07/89/1069530789.db2.gz JVWVRZPDJMPHIJ-UHFFFAOYSA-N 0 3 427.567 0.693 20 0 ICADHN CN1CCCC[C@@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001472244738 1069542311 /nfs/dbraw/zinc/54/23/11/1069542311.db2.gz BBZAOYDLSXGUOJ-GOSISDBHSA-N 0 3 436.578 0.900 20 0 ICADHN CN1CCCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001472244739 1069542210 /nfs/dbraw/zinc/54/22/10/1069542210.db2.gz BBZAOYDLSXGUOJ-SFHVURJKSA-N 0 3 436.578 0.900 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC001472259049 1069544977 /nfs/dbraw/zinc/54/49/77/1069544977.db2.gz LWKNZQBDCLOSKB-MOPGFXCFSA-N 0 3 438.550 0.371 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC001472259050 1069545007 /nfs/dbraw/zinc/54/50/07/1069545007.db2.gz LWKNZQBDCLOSKB-OALUTQOASA-N 0 3 438.550 0.371 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC001472259051 1069544650 /nfs/dbraw/zinc/54/46/50/1069544650.db2.gz LWKNZQBDCLOSKB-RBUKOAKNSA-N 0 3 438.550 0.371 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC001472259052 1069545498 /nfs/dbraw/zinc/54/54/98/1069545498.db2.gz LWKNZQBDCLOSKB-RTBURBONSA-N 0 3 438.550 0.371 20 0 ICADHN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1=O ZINC001472259425 1069545683 /nfs/dbraw/zinc/54/56/83/1069545683.db2.gz OQDKRPQAKIOLEI-BZSNNMDCSA-N 0 3 438.569 0.807 20 0 ICADHN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1=O ZINC001472259426 1069545623 /nfs/dbraw/zinc/54/56/23/1069545623.db2.gz OQDKRPQAKIOLEI-KSZLIROESA-N 0 3 438.569 0.807 20 0 ICADHN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1=O ZINC001472259427 1069545553 /nfs/dbraw/zinc/54/55/53/1069545553.db2.gz OQDKRPQAKIOLEI-OKZBNKHCSA-N 0 3 438.569 0.807 20 0 ICADHN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1=O ZINC001472259428 1069545695 /nfs/dbraw/zinc/54/56/95/1069545695.db2.gz OQDKRPQAKIOLEI-RCCFBDPRSA-N 0 3 438.569 0.807 20 0 ICADHN O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001472259722 1069545638 /nfs/dbraw/zinc/54/56/38/1069545638.db2.gz UESPHVMWCWJYKV-BBWFWOEESA-N 0 3 431.942 0.037 20 0 ICADHN O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001472259723 1069545469 /nfs/dbraw/zinc/54/54/69/1069545469.db2.gz UESPHVMWCWJYKV-GVDBMIGSSA-N 0 3 431.942 0.037 20 0 ICADHN O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001472259724 1069545526 /nfs/dbraw/zinc/54/55/26/1069545526.db2.gz UESPHVMWCWJYKV-ULQDDVLXSA-N 0 3 431.942 0.037 20 0 ICADHN O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001472259725 1069545610 /nfs/dbraw/zinc/54/56/10/1069545610.db2.gz UESPHVMWCWJYKV-YESZJQIVSA-N 0 3 431.942 0.037 20 0 ICADHN C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)NS(=O)(=O)c1cccnc1Cl ZINC001472259789 1069545645 /nfs/dbraw/zinc/54/56/45/1069545645.db2.gz VQQQFEGOUFVSTH-ILXRZTDVSA-N 0 3 430.958 0.850 20 0 ICADHN C[C@H](CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)NS(=O)(=O)c1cccnc1Cl ZINC001472259790 1069545665 /nfs/dbraw/zinc/54/56/65/1069545665.db2.gz VQQQFEGOUFVSTH-KFWWJZLASA-N 0 3 430.958 0.850 20 0 ICADHN C[C@H](CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)NS(=O)(=O)c1cccnc1Cl ZINC001472259791 1069545439 /nfs/dbraw/zinc/54/54/39/1069545439.db2.gz VQQQFEGOUFVSTH-QLFBSQMISA-N 0 3 430.958 0.850 20 0 ICADHN C[C@H](CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)NS(=O)(=O)c1cccnc1Cl ZINC001472259792 1069545576 /nfs/dbraw/zinc/54/55/76/1069545576.db2.gz VQQQFEGOUFVSTH-RBSFLKMASA-N 0 3 430.958 0.850 20 0 ICADHN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)CCCN1CCN(c3ccccc3)CC1)C2 ZINC001472310561 1069551143 /nfs/dbraw/zinc/55/11/43/1069551143.db2.gz GTVIYBIPRXRSAL-FQEVSTJZSA-N 0 3 439.564 0.988 20 0 ICADHN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)CCCN1CCN(c3ccccc3)CC1)C2 ZINC001472310562 1069551098 /nfs/dbraw/zinc/55/10/98/1069551098.db2.gz GTVIYBIPRXRSAL-HXUWFJFHSA-N 0 3 439.564 0.988 20 0 ICADHN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1ccc3[nH]c(=O)n(CCN(C)C)c3c1)C2 ZINC001472319588 1069552570 /nfs/dbraw/zinc/55/25/70/1069552570.db2.gz OYXAYUBMEFIZKZ-KRWDZBQOSA-N 0 3 440.508 0.316 20 0 ICADHN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1ccc3[nH]c(=O)n(CCN(C)C)c3c1)C2 ZINC001472319589 1069552665 /nfs/dbraw/zinc/55/26/65/1069552665.db2.gz OYXAYUBMEFIZKZ-QGZVFWFLSA-N 0 3 440.508 0.316 20 0 ICADHN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccnn2CCN(C)C)CC1 ZINC001472364273 1069555917 /nfs/dbraw/zinc/55/59/17/1069555917.db2.gz OTLKBMNNVCXNOF-FQEVSTJZSA-N 0 3 426.565 0.950 20 0 ICADHN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccnn2CCN(C)C)CC1 ZINC001472364274 1069556009 /nfs/dbraw/zinc/55/60/09/1069556009.db2.gz OTLKBMNNVCXNOF-HXUWFJFHSA-N 0 3 426.565 0.950 20 0 ICADHN O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC001472409319 1069560454 /nfs/dbraw/zinc/56/04/54/1069560454.db2.gz SEUAJIZCPOLLIZ-CNNODRBYSA-N 0 3 433.553 0.359 20 0 ICADHN CCOc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC001472549857 1069568518 /nfs/dbraw/zinc/56/85/18/1069568518.db2.gz RTXRQVCOZXHDIU-UHFFFAOYSA-N 0 3 426.583 0.896 20 0 ICADHN CN1CCN(CCNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1(C)C ZINC001472551076 1069568440 /nfs/dbraw/zinc/56/84/40/1069568440.db2.gz KPQIYORTXKQCTQ-GOSISDBHSA-N 0 3 433.553 0.689 20 0 ICADHN CN1CCN(CCNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1(C)C ZINC001472551081 1069568450 /nfs/dbraw/zinc/56/84/50/1069568450.db2.gz KPQIYORTXKQCTQ-SFHVURJKSA-N 0 3 433.553 0.689 20 0 ICADHN CCn1c2ccc(NC(=O)CCC(=O)NC[C@@H]3CCCCN3CCO)nc2n(CC)c1=O ZINC001472564808 1069569458 /nfs/dbraw/zinc/56/94/58/1069569458.db2.gz WOSRWXJCBDRODG-INIZCTEOSA-N 0 3 446.552 0.920 20 0 ICADHN CCn1c2ccc(NC(=O)CCC(=O)NC[C@H]3CCCCN3CCO)nc2n(CC)c1=O ZINC001472564809 1069569314 /nfs/dbraw/zinc/56/93/14/1069569314.db2.gz WOSRWXJCBDRODG-MRXNPFEDSA-N 0 3 446.552 0.920 20 0 ICADHN CCCn1c(CCC(=O)N2CC(N[C@H]3CCOC3)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC001472624846 1069574786 /nfs/dbraw/zinc/57/47/86/1069574786.db2.gz YUONUMWBTOGWGS-AWEZNQCLSA-N 0 3 435.550 0.616 20 0 ICADHN CCCn1c(CCC(=O)N2CC(N[C@@H]3CCOC3)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC001472624847 1069574929 /nfs/dbraw/zinc/57/49/29/1069574929.db2.gz YUONUMWBTOGWGS-CQSZACIVSA-N 0 3 435.550 0.616 20 0 ICADHN Cc1ccccc1CN1CCCN(C(=O)Cn2nnc(C(C)(C)S(C)(=O)=O)n2)CC1 ZINC001473096787 1069583002 /nfs/dbraw/zinc/58/30/02/1069583002.db2.gz NFYCQXFPTAXGCG-UHFFFAOYSA-N 0 3 434.566 0.996 20 0 ICADHN CN(C[C@H](O)CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)C(=O)OC(C)(C)C ZINC001473107818 1069583667 /nfs/dbraw/zinc/58/36/67/1069583667.db2.gz PPEXDNPMGCDNRK-KRWDZBQOSA-N 0 3 426.558 0.650 20 0 ICADHN CN(C[C@@H](O)CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)C(=O)OC(C)(C)C ZINC001473107819 1069583553 /nfs/dbraw/zinc/58/35/53/1069583553.db2.gz PPEXDNPMGCDNRK-QGZVFWFLSA-N 0 3 426.558 0.650 20 0 ICADHN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN3CCC[C@@H](CNS(N)(=O)=O)C3)C2)C1 ZINC001473135513 1069584113 /nfs/dbraw/zinc/58/41/13/1069584113.db2.gz KAGNOSWRRAWZHN-FRQCXROJSA-N 0 3 432.587 0.908 20 0 ICADHN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN3CCC[C@H](CNS(N)(=O)=O)C3)C2)C1 ZINC001473135614 1069584059 /nfs/dbraw/zinc/58/40/59/1069584059.db2.gz KAGNOSWRRAWZHN-GPMSIDNRSA-N 0 3 432.587 0.908 20 0 ICADHN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN3CCC[C@H](CNS(N)(=O)=O)C3)C2)C1 ZINC001473135615 1069584386 /nfs/dbraw/zinc/58/43/86/1069584386.db2.gz KAGNOSWRRAWZHN-JTDSTZFVSA-N 0 3 432.587 0.908 20 0 ICADHN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN3CCC[C@@H](CNS(N)(=O)=O)C3)C2)C1 ZINC001473135616 1069584454 /nfs/dbraw/zinc/58/44/54/1069584454.db2.gz KAGNOSWRRAWZHN-TXPKVOOTSA-N 0 3 432.587 0.908 20 0 ICADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001473153314 1069584542 /nfs/dbraw/zinc/58/45/42/1069584542.db2.gz BLFRPWPHSOWNCB-GSVIPDFHSA-N 0 3 427.586 0.708 20 0 ICADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001473153315 1069584205 /nfs/dbraw/zinc/58/42/05/1069584205.db2.gz BLFRPWPHSOWNCB-LVIWNVNYSA-N 0 3 427.586 0.708 20 0 ICADHN CN(C[C@@H](O)CN1CCOCC1)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001473215695 1069585039 /nfs/dbraw/zinc/58/50/39/1069585039.db2.gz NTSHJXSTURTPLR-MOPGFXCFSA-N 0 3 445.482 0.792 20 0 ICADHN CN(C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)C[C@H](O)CN1CCOCC1 ZINC001473215696 1069584962 /nfs/dbraw/zinc/58/49/62/1069584962.db2.gz NTSHJXSTURTPLR-OALUTQOASA-N 0 3 445.482 0.792 20 0 ICADHN CN(C[C@H](O)CN1CCOCC1)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001473215697 1069585060 /nfs/dbraw/zinc/58/50/60/1069585060.db2.gz NTSHJXSTURTPLR-RBUKOAKNSA-N 0 3 445.482 0.792 20 0 ICADHN CN(C[C@@H](O)CN1CCOCC1)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001473215698 1069585027 /nfs/dbraw/zinc/58/50/27/1069585027.db2.gz NTSHJXSTURTPLR-RTBURBONSA-N 0 3 445.482 0.792 20 0 ICADHN CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001473251880 1069586404 /nfs/dbraw/zinc/58/64/04/1069586404.db2.gz FHASAFOHOSOFCJ-IBGZPJMESA-N 0 3 432.587 0.810 20 0 ICADHN CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001473251884 1069586426 /nfs/dbraw/zinc/58/64/26/1069586426.db2.gz FHASAFOHOSOFCJ-LJQANCHMSA-N 0 3 432.587 0.810 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC001473264307 1069587000 /nfs/dbraw/zinc/58/70/00/1069587000.db2.gz NLVZIWAURJEQFT-ABSDTBQOSA-N 0 3 447.598 0.226 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC001473264308 1069586902 /nfs/dbraw/zinc/58/69/02/1069586902.db2.gz NLVZIWAURJEQFT-FUHIMQAGSA-N 0 3 447.598 0.226 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC001473264309 1069587146 /nfs/dbraw/zinc/58/71/46/1069587146.db2.gz NLVZIWAURJEQFT-MBOZVWFJSA-N 0 3 447.598 0.226 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC001473264310 1069587116 /nfs/dbraw/zinc/58/71/16/1069587116.db2.gz NLVZIWAURJEQFT-SQGPQFPESA-N 0 3 447.598 0.226 20 0 ICADHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473385059 1069590233 /nfs/dbraw/zinc/59/02/33/1069590233.db2.gz NWIYWGIMZMKRNG-BMGDILEWSA-N 0 3 438.550 0.539 20 0 ICADHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473385060 1069590518 /nfs/dbraw/zinc/59/05/18/1069590518.db2.gz NWIYWGIMZMKRNG-OLMNPRSZSA-N 0 3 438.550 0.539 20 0 ICADHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473385061 1069590197 /nfs/dbraw/zinc/59/01/97/1069590197.db2.gz NWIYWGIMZMKRNG-QGTPRVQTSA-N 0 3 438.550 0.539 20 0 ICADHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473385062 1069590371 /nfs/dbraw/zinc/59/03/71/1069590371.db2.gz NWIYWGIMZMKRNG-ZTFGCOKTSA-N 0 3 438.550 0.539 20 0 ICADHN CN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1(CO)CCOCC1 ZINC001473385420 1069590491 /nfs/dbraw/zinc/59/04/91/1069590491.db2.gz PHYNRJYUWUOTCB-LFIBNONCSA-N 0 3 434.518 0.707 20 0 ICADHN 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CS(C)(=O)=NS(=O)(=O)N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001473473235 1069594098 /nfs/dbraw/zinc/59/40/98/1069594098.db2.gz YWTUUKXRHSREDV-UHFFFAOYSA-N 0 3 443.639 0.789 20 0 ICADHN COc1ccc(NC(=O)CN[C@H]2CCOC2(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC001473482036 1069595027 /nfs/dbraw/zinc/59/50/27/1069595027.db2.gz PGXHARPVQNVLFX-KRWDZBQOSA-N 0 3 427.523 0.812 20 0 ICADHN COc1ccc(NC(=O)CN[C@@H]2CCOC2(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC001473482037 1069594867 /nfs/dbraw/zinc/59/48/67/1069594867.db2.gz PGXHARPVQNVLFX-QGZVFWFLSA-N 0 3 427.523 0.812 20 0 ICADHN COCC1(NCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CCOCC1 ZINC001473493517 1069596529 /nfs/dbraw/zinc/59/65/29/1069596529.db2.gz DHYHELCSLVPDDU-UHFFFAOYSA-N 0 3 439.557 0.961 20 0 ICADHN COCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCOCC1 ZINC001473493724 1069596628 /nfs/dbraw/zinc/59/66/28/1069596628.db2.gz IEPRKUKHYVQNGI-UHFFFAOYSA-N 0 3 429.514 0.444 20 0 ICADHN COCC1(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCOCC1 ZINC001473494154 1069596540 /nfs/dbraw/zinc/59/65/40/1069596540.db2.gz OUVBUQACWMQFRE-UHFFFAOYSA-N 0 3 441.550 0.109 20 0 ICADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC001473505191 1069597411 /nfs/dbraw/zinc/59/74/11/1069597411.db2.gz QGISHKGVVFWKJY-CVEARBPZSA-N 0 3 436.578 0.797 20 0 ICADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC001473505192 1069597250 /nfs/dbraw/zinc/59/72/50/1069597250.db2.gz QGISHKGVVFWKJY-HOTGVXAUSA-N 0 3 436.578 0.797 20 0 ICADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N2CCOC[C@H]2C)CC1 ZINC001473505193 1069597476 /nfs/dbraw/zinc/59/74/76/1069597476.db2.gz QGISHKGVVFWKJY-HZPDHXFCSA-N 0 3 436.578 0.797 20 0 ICADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N2CCOC[C@H]2C)CC1 ZINC001473505194 1069597503 /nfs/dbraw/zinc/59/75/03/1069597503.db2.gz QGISHKGVVFWKJY-JKSUJKDBSA-N 0 3 436.578 0.797 20 0 ICADHN CON1CCC(N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001473530145 1069598940 /nfs/dbraw/zinc/59/89/40/1069598940.db2.gz 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CNC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001473567722 1069603288 /nfs/dbraw/zinc/60/32/88/1069603288.db2.gz WWXZHNFFDSIWBX-CYBMUJFWSA-N 0 3 446.932 0.380 20 0 ICADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001473567723 1069603536 /nfs/dbraw/zinc/60/35/36/1069603536.db2.gz WWXZHNFFDSIWBX-ZDUSSCGKSA-N 0 3 446.932 0.380 20 0 ICADHN CC(C)(C)OC(=O)CC1(NCC(=O)NC2CCN(S(C)(=O)=O)CC2)CCOCC1 ZINC001473576168 1069604475 /nfs/dbraw/zinc/60/44/75/1069604475.db2.gz UCMVIEKNFKYCGH-UHFFFAOYSA-N 0 3 433.571 0.397 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H]4OCC[C@@H]4C3)CC2)c1 ZINC001473585581 1069605651 /nfs/dbraw/zinc/60/56/51/1069605651.db2.gz PMHFGTLNINJLDC-QUCCMNQESA-N 0 3 435.546 0.833 20 0 ICADHN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001473591464 1069606560 /nfs/dbraw/zinc/60/65/60/1069606560.db2.gz YJTMJVKUIUJQJU-AOIWGVFYSA-N 0 3 436.578 0.635 20 0 ICADHN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001473591465 1069606359 /nfs/dbraw/zinc/60/63/59/1069606359.db2.gz YJTMJVKUIUJQJU-LMMKCTJWSA-N 0 3 436.578 0.635 20 0 ICADHN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001473591466 1069606297 /nfs/dbraw/zinc/60/62/97/1069606297.db2.gz YJTMJVKUIUJQJU-ZHALLVOQSA-N 0 3 436.578 0.635 20 0 ICADHN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001473591467 1069606495 /nfs/dbraw/zinc/60/64/95/1069606495.db2.gz YJTMJVKUIUJQJU-ZIFCJYIRSA-N 0 3 436.578 0.635 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC001473597341 1069607165 /nfs/dbraw/zinc/60/71/65/1069607165.db2.gz HDSVGPIAHXCTCZ-ZWKOTPCHSA-N 0 3 436.578 0.859 20 0 ICADHN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001473598981 1069607098 /nfs/dbraw/zinc/60/70/98/1069607098.db2.gz YZPIQQSGENKTAZ-NZSAHSFTSA-N 0 3 436.578 0.939 20 0 ICADHN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001473598982 1069607234 /nfs/dbraw/zinc/60/72/34/1069607234.db2.gz YZPIQQSGENKTAZ-YTQUADARSA-N 0 3 436.578 0.939 20 0 ICADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001473599012 1069607205 /nfs/dbraw/zinc/60/72/05/1069607205.db2.gz ZYZXGQHDCKHQNU-RBUKOAKNSA-N 0 3 436.578 0.228 20 0 ICADHN COc1ccc(CN2CCCN(C(=O)CN3CCN(Cc4nnc[nH]4)CC3)CC2)cc1 ZINC001473604498 1069607809 /nfs/dbraw/zinc/60/78/09/1069607809.db2.gz OYVBADCTWXGSIG-UHFFFAOYSA-N 0 3 427.553 0.665 20 0 ICADHN COc1ccc(CN2CCCN(C(=O)CN3CCN(Cc4nc[nH]n4)CC3)CC2)cc1 ZINC001473604498 1069607805 /nfs/dbraw/zinc/60/78/05/1069607805.db2.gz OYVBADCTWXGSIG-UHFFFAOYSA-N 0 3 427.553 0.665 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](Cn4ccnn4)C3)CC2)cc1C ZINC001473634566 1069610998 /nfs/dbraw/zinc/61/09/98/1069610998.db2.gz ORKKUVOMVBTGKV-IBGZPJMESA-N 0 3 446.577 0.750 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](Cn4ccnn4)C3)CC2)cc1C ZINC001473634567 1069611099 /nfs/dbraw/zinc/61/10/99/1069611099.db2.gz ORKKUVOMVBTGKV-LJQANCHMSA-N 0 3 446.577 0.750 20 0 ICADHN COC[C@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)C1CCOCC1 ZINC001473638157 1069610890 /nfs/dbraw/zinc/61/08/90/1069610890.db2.gz QKXIJMQXWADDRB-INIZCTEOSA-N 0 3 429.539 0.915 20 0 ICADHN COC[C@@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)C1CCOCC1 ZINC001473638158 1069611035 /nfs/dbraw/zinc/61/10/35/1069611035.db2.gz QKXIJMQXWADDRB-MRXNPFEDSA-N 0 3 429.539 0.915 20 0 ICADHN COc1ccc(C2(NCC(=O)NC3CCN(S(C)(=O)=O)CC3)CCOCC2)cc1 ZINC001473675327 1069617532 /nfs/dbraw/zinc/61/75/32/1069617532.db2.gz NJERYQQVVCQISK-UHFFFAOYSA-N 0 3 425.551 0.831 20 0 ICADHN CCOC(=O)CC1(NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1 ZINC001473675483 1069617478 /nfs/dbraw/zinc/61/74/78/1069617478.db2.gz PGMWQPUEZDSZDR-UHFFFAOYSA-N 0 3 427.523 0.085 20 0 ICADHN CCOC(=O)CC1(NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCOCC1 ZINC001473675604 1069617508 /nfs/dbraw/zinc/61/75/08/1069617508.db2.gz UDBSDUHAOJJZMV-UHFFFAOYSA-N 0 3 447.532 0.867 20 0 ICADHN O=C(CN1CCC[C@@H](n2ccnn2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001473680970 1069618177 /nfs/dbraw/zinc/61/81/77/1069618177.db2.gz GLECWEATOIISGE-GOSISDBHSA-N 0 3 432.550 0.838 20 0 ICADHN O=C(CN1CCC[C@H](n2ccnn2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001473680971 1069618016 /nfs/dbraw/zinc/61/80/16/1069618016.db2.gz GLECWEATOIISGE-SFHVURJKSA-N 0 3 432.550 0.838 20 0 ICADHN O=C(CN1CCC[C@H](n2ccnn2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001473681184 1069618233 /nfs/dbraw/zinc/61/82/33/1069618233.db2.gz IWBICYIHDUYLOG-FQEVSTJZSA-N 0 3 446.577 0.979 20 0 ICADHN O=C(CN1CCC[C@@H](n2ccnn2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001473681185 1069617972 /nfs/dbraw/zinc/61/79/72/1069617972.db2.gz IWBICYIHDUYLOG-HXUWFJFHSA-N 0 3 446.577 0.979 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCOC[C@@H]3CNS(C)(=O)=O)cc2)CC1 ZINC001473690392 1069620368 /nfs/dbraw/zinc/62/03/68/1069620368.db2.gz FZGNFRKOWFONBK-IBGZPJMESA-N 0 3 439.582 0.017 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCOC[C@H]3CNS(C)(=O)=O)cc2)CC1 ZINC001473690393 1069620210 /nfs/dbraw/zinc/62/02/10/1069620210.db2.gz FZGNFRKOWFONBK-LJQANCHMSA-N 0 3 439.582 0.017 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCCN(C(=O)CNC(C)=O)CC3)cc2)CC1 ZINC001473703841 1069622414 /nfs/dbraw/zinc/62/24/14/1069622414.db2.gz ATCSXOVETBPAIS-UHFFFAOYSA-N 0 3 444.580 0.437 20 0 ICADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(C)(N2CCOCC2)CC1 ZINC001473704356 1069623181 /nfs/dbraw/zinc/62/31/81/1069623181.db2.gz NQIRXHPUXYIVBO-INIZCTEOSA-N 0 3 436.578 0.798 20 0 ICADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(C)(N2CCOCC2)CC1 ZINC001473704357 1069623265 /nfs/dbraw/zinc/62/32/65/1069623265.db2.gz NQIRXHPUXYIVBO-MRXNPFEDSA-N 0 3 436.578 0.798 20 0 ICADHN O=C(CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001473709359 1069623970 /nfs/dbraw/zinc/62/39/70/1069623970.db2.gz SNTUAKDLALFYAK-NQIIRXRSSA-N 0 3 446.529 0.740 20 0 ICADHN COCc1ncc2c(n1)CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC001473711537 1069624587 /nfs/dbraw/zinc/62/45/87/1069624587.db2.gz PZAGRTSFISAZMP-UHFFFAOYSA-N 0 3 433.534 0.378 20 0 ICADHN O=C(CN1C[C@@H]2CCC[C@]2(CO)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001473711641 1069624692 /nfs/dbraw/zinc/62/46/92/1069624692.db2.gz UWLDEDJLIFZBQH-OXJNMPFZSA-N 0 3 425.526 0.753 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001473744361 1069628301 /nfs/dbraw/zinc/62/83/01/1069628301.db2.gz UYIGUVQSOUBUJG-CPDVXQFNSA-N 0 3 441.525 0.403 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001473744362 1069628339 /nfs/dbraw/zinc/62/83/39/1069628339.db2.gz UYIGUVQSOUBUJG-DBIZDJMSSA-N 0 3 441.525 0.403 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001473744363 1069629164 /nfs/dbraw/zinc/62/91/64/1069629164.db2.gz UYIGUVQSOUBUJG-JABIQELNSA-N 0 3 441.525 0.403 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001473744364 1069629155 /nfs/dbraw/zinc/62/91/55/1069629155.db2.gz UYIGUVQSOUBUJG-JJIVNBJUSA-N 0 3 441.525 0.403 20 0 ICADHN COc1ccccc1C[C@@](C)(CO)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC001473751726 1069629850 /nfs/dbraw/zinc/62/98/50/1069629850.db2.gz QYVIOOYTQPOVGS-NRFANRHFSA-N 0 3 433.530 0.815 20 0 ICADHN COc1ccccc1C[C@](C)(CO)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC001473751730 1069630082 /nfs/dbraw/zinc/63/00/82/1069630082.db2.gz QYVIOOYTQPOVGS-OAQYLSRUSA-N 0 3 433.530 0.815 20 0 ICADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001473778393 1069633168 /nfs/dbraw/zinc/63/31/68/1069633168.db2.gz BIHYRGSMJFYWJE-UAFMIMERSA-N 0 3 444.580 0.645 20 0 ICADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC001473778394 1069633202 /nfs/dbraw/zinc/63/32/02/1069633202.db2.gz BIHYRGSMJFYWJE-WTGUMLROSA-N 0 3 444.580 0.645 20 0 ICADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001473778395 1069632992 /nfs/dbraw/zinc/63/29/92/1069632992.db2.gz BIHYRGSMJFYWJE-YSTOQKLRSA-N 0 3 444.580 0.645 20 0 ICADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC001473778396 1069632917 /nfs/dbraw/zinc/63/29/17/1069632917.db2.gz BIHYRGSMJFYWJE-ZRNYENFQSA-N 0 3 444.580 0.645 20 0 ICADHN O=C(CN1CC[C@H]([C@H]2CCCO2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473780884 1069633882 /nfs/dbraw/zinc/63/38/82/1069633882.db2.gz CZFMKLUEHOUQPQ-AZUAARDMSA-N 0 3 437.562 0.825 20 0 ICADHN O=C(CN1CC[C@H]([C@@H]2CCCO2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473780889 1069633864 /nfs/dbraw/zinc/63/38/64/1069633864.db2.gz CZFMKLUEHOUQPQ-ICSRJNTNSA-N 0 3 437.562 0.825 20 0 ICADHN O=C(CN1CC[C@@H]([C@@H]2CCCO2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473780891 1069633832 /nfs/dbraw/zinc/63/38/32/1069633832.db2.gz CZFMKLUEHOUQPQ-QUCCMNQESA-N 0 3 437.562 0.825 20 0 ICADHN O=C(CN1CC[C@@H]([C@H]2CCCO2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001473780892 1069633852 /nfs/dbraw/zinc/63/38/52/1069633852.db2.gz CZFMKLUEHOUQPQ-UYAOXDASSA-N 0 3 437.562 0.825 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN(C)Cc3nnc4n3CCNC4=O)cc2)CC1 ZINC001473788785 1069634602 /nfs/dbraw/zinc/63/46/02/1069634602.db2.gz RYJYUPVKWHTQJH-UHFFFAOYSA-N 0 3 426.525 0.234 20 0 ICADHN O=C(CN1C[C@@H]2[C@H](O)CC[C@@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001473792676 1069635419 /nfs/dbraw/zinc/63/54/19/1069635419.db2.gz JSKACDMLCRFMGY-JKIFEVAISA-N 0 3 429.489 0.500 20 0 ICADHN O=C(OCc1ccccc1)N1CCN(S(=O)(=O)CCN2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001473793852 1069635393 /nfs/dbraw/zinc/63/53/93/1069635393.db2.gz WWLLEEWKCLNGQF-HSALFYBXSA-N 0 3 437.562 0.973 20 0 ICADHN CNC(=O)C1(NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 ZINC001473801658 1069636078 /nfs/dbraw/zinc/63/60/78/1069636078.db2.gz KLLFCVIUDPQEKH-UHFFFAOYSA-N 0 3 438.550 0.685 20 0 ICADHN O=C(CN1CC[C@@]2(CO)CCC[C@@H]12)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001473806937 1069636016 /nfs/dbraw/zinc/63/60/16/1069636016.db2.gz GGKXDVYZCVFCGF-UYAOXDASSA-N 0 3 425.526 0.896 20 0 ICADHN NC(=O)c1c(NC(=O)CCN2CCC(O)(COCCO)CC2)sc2c1CCCC2 ZINC001473809613 1069636173 /nfs/dbraw/zinc/63/61/73/1069636173.db2.gz OSIJWGMBTRBFRZ-UHFFFAOYSA-N 0 3 425.551 0.890 20 0 ICADHN COC(=O)[C@@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001473830090 1069638952 /nfs/dbraw/zinc/63/89/52/1069638952.db2.gz MTAWEGNKJGOIMZ-CVEARBPZSA-N 0 3 445.582 1.000 20 0 ICADHN COC(=O)[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001473830091 1069638838 /nfs/dbraw/zinc/63/88/38/1069638838.db2.gz MTAWEGNKJGOIMZ-HOTGVXAUSA-N 0 3 445.582 1.000 20 0 ICADHN COC(=O)[C@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001473830092 1069638794 /nfs/dbraw/zinc/63/87/94/1069638794.db2.gz MTAWEGNKJGOIMZ-HZPDHXFCSA-N 0 3 445.582 1.000 20 0 ICADHN 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448.589 0.962 20 0 ICADHN O=C(NCCNS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccc(Br)cn1 ZINC001475488688 1069759927 /nfs/dbraw/zinc/75/99/27/1069759927.db2.gz ZWPGDFNGKUVSHI-INIZCTEOSA-N 0 3 431.356 0.979 20 0 ICADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c(OC)c1 ZINC001475492760 1069760386 /nfs/dbraw/zinc/76/03/86/1069760386.db2.gz FQRJJVFLDNEZPQ-UHFFFAOYSA-N 0 3 449.595 0.970 20 0 ICADHN O=S(=O)(c1cnn2cc(Br)cnc12)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001475512928 1069767339 /nfs/dbraw/zinc/76/73/39/1069767339.db2.gz HAGXBXCGPQIIRU-CYBMUJFWSA-N 0 3 430.328 0.712 20 0 ICADHN O=S(=O)(c1cnn2cc(Br)cnc12)N1CCC(N2CC[C@H](O)C2)CC1 ZINC001475512929 1069767215 /nfs/dbraw/zinc/76/72/15/1069767215.db2.gz HAGXBXCGPQIIRU-ZDUSSCGKSA-N 0 3 430.328 0.712 20 0 ICADHN NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC001475513186 1069767190 /nfs/dbraw/zinc/76/71/90/1069767190.db2.gz JGILAULMPADVEV-AWEZNQCLSA-N 0 3 432.340 0.768 20 0 ICADHN NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC001475513187 1069767301 /nfs/dbraw/zinc/76/73/01/1069767301.db2.gz JGILAULMPADVEV-CQSZACIVSA-N 0 3 432.340 0.768 20 0 ICADHN CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC001475514797 1069767238 /nfs/dbraw/zinc/76/72/38/1069767238.db2.gz ZLCNFVCVVFPDTJ-KRWDZBQOSA-N 0 3 445.607 0.841 20 0 ICADHN CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC001475514798 1069767373 /nfs/dbraw/zinc/76/73/73/1069767373.db2.gz ZLCNFVCVVFPDTJ-QGZVFWFLSA-N 0 3 445.607 0.841 20 0 ICADHN CN(C)CCCS(=O)(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001475516105 1069767892 /nfs/dbraw/zinc/76/78/92/1069767892.db2.gz XGXCZJUASNIFAB-UHFFFAOYSA-N 0 3 447.602 0.558 20 0 ICADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)C2)ccn1 ZINC001475527669 1069769421 /nfs/dbraw/zinc/76/94/21/1069769421.db2.gz FFDKXEMVDWOESN-GOSISDBHSA-N 0 3 448.611 0.596 20 0 ICADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)C2)ccn1 ZINC001475527670 1069769461 /nfs/dbraw/zinc/76/94/61/1069769461.db2.gz FFDKXEMVDWOESN-SFHVURJKSA-N 0 3 448.611 0.596 20 0 ICADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cn(C)c(=O)[nH]c3=O)C2)ccn1 ZINC001475528567 1069769660 /nfs/dbraw/zinc/76/96/60/1069769660.db2.gz VGNASCWEKBWJKL-INIZCTEOSA-N 0 3 437.522 0.563 20 0 ICADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cn(C)c(=O)[nH]c3=O)C2)ccn1 ZINC001475528568 1069769584 /nfs/dbraw/zinc/76/95/84/1069769584.db2.gz VGNASCWEKBWJKL-MRXNPFEDSA-N 0 3 437.522 0.563 20 0 ICADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC001475563286 1069777458 /nfs/dbraw/zinc/77/74/58/1069777458.db2.gz MFQQGQRAYVDBQX-UHFFFAOYSA-N 0 3 433.596 0.916 20 0 ICADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cccc(F)c2C(=O)OC)CC1=O ZINC001475589273 1069782766 /nfs/dbraw/zinc/78/27/66/1069782766.db2.gz DLXDNLFNISXHFU-CYBMUJFWSA-N 0 3 431.486 0.070 20 0 ICADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cccc(F)c2C(=O)OC)CC1=O ZINC001475589278 1069782467 /nfs/dbraw/zinc/78/24/67/1069782467.db2.gz DLXDNLFNISXHFU-ZDUSSCGKSA-N 0 3 431.486 0.070 20 0 ICADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1=O ZINC001475589414 1069783542 /nfs/dbraw/zinc/78/35/42/1069783542.db2.gz HHBOLWJHWHUZLD-HNNXBMFYSA-N 0 3 445.513 0.378 20 0 ICADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1=O ZINC001475589423 1069783430 /nfs/dbraw/zinc/78/34/30/1069783430.db2.gz HHBOLWJHWHUZLD-OAHLLOKOSA-N 0 3 445.513 0.378 20 0 ICADHN CN1CCC(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)(c2ccccc2)CC1 ZINC001475589682 1069783345 /nfs/dbraw/zinc/78/33/45/1069783345.db2.gz ULYDPBAZYCQCIA-UHFFFAOYSA-N 0 3 430.596 0.062 20 0 ICADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)CC1=O ZINC001475589859 1069783669 /nfs/dbraw/zinc/78/36/69/1069783669.db2.gz OCNZAWYZQHHHAF-INIZCTEOSA-N 0 3 436.534 0.294 20 0 ICADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)CC1=O ZINC001475589860 1069783400 /nfs/dbraw/zinc/78/34/00/1069783400.db2.gz OCNZAWYZQHHHAF-MRXNPFEDSA-N 0 3 436.534 0.294 20 0 ICADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1=O ZINC001475589865 1069783520 /nfs/dbraw/zinc/78/35/20/1069783520.db2.gz OGQUCKCULLUTRQ-INIZCTEOSA-N 0 3 425.551 0.858 20 0 ICADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1=O ZINC001475589866 1069783620 /nfs/dbraw/zinc/78/36/20/1069783620.db2.gz OGQUCKCULLUTRQ-MRXNPFEDSA-N 0 3 425.551 0.858 20 0 ICADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1=O ZINC001475590707 1069783473 /nfs/dbraw/zinc/78/34/73/1069783473.db2.gz JPMICIFJIIJHAX-AWEZNQCLSA-N 0 3 431.486 0.070 20 0 ICADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1=O ZINC001475590708 1069783595 /nfs/dbraw/zinc/78/35/95/1069783595.db2.gz JPMICIFJIIJHAX-CQSZACIVSA-N 0 3 431.486 0.070 20 0 ICADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1=O ZINC001475590858 1069784211 /nfs/dbraw/zinc/78/42/11/1069784211.db2.gz KZPJLQLMDKQGEA-AWEZNQCLSA-N 0 3 447.941 0.584 20 0 ICADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1=O ZINC001475590859 1069784340 /nfs/dbraw/zinc/78/43/40/1069784340.db2.gz KZPJLQLMDKQGEA-CQSZACIVSA-N 0 3 447.941 0.584 20 0 ICADHN Nc1ccnc2c1CN(S(=O)(=O)CCOCCN1C(=O)c3ccccc3C1=O)CC2 ZINC001475603289 1069786938 /nfs/dbraw/zinc/78/69/38/1069786938.db2.gz YVQRKKOHCREOFO-UHFFFAOYSA-N 0 3 430.486 0.665 20 0 ICADHN C[N@H+]1CCCN(CCC[N-]S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 ZINC001475634982 1069796204 /nfs/dbraw/zinc/79/62/04/1069796204.db2.gz LYQCXOYVEFBXNZ-UHFFFAOYSA-N 0 3 431.360 0.798 20 0 ICADHN C[N@@H+]1CCCN(CCC[N-]S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 ZINC001475634982 1069796188 /nfs/dbraw/zinc/79/61/88/1069796188.db2.gz LYQCXOYVEFBXNZ-UHFFFAOYSA-N 0 3 431.360 0.798 20 0 ICADHN CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001475641468 1069798014 /nfs/dbraw/zinc/79/80/14/1069798014.db2.gz IRVKVVPGWATKTQ-SFHVURJKSA-N 0 3 428.555 0.223 20 0 ICADHN CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(NC3CCOCC3)C2)cc1 ZINC001475672383 1069806584 /nfs/dbraw/zinc/80/65/84/1069806584.db2.gz BCBYKYMBIWOISS-UHFFFAOYSA-N 0 3 431.580 0.762 20 0 ICADHN CN(CCS(=O)(=O)N1CC(NC2CCOCC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001475672834 1069806431 /nfs/dbraw/zinc/80/64/31/1069806431.db2.gz VBDDUCPLQYSPEW-UHFFFAOYSA-N 0 3 435.543 0.229 20 0 ICADHN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCCN(CCCO)C1 ZINC001475817872 1069840988 /nfs/dbraw/zinc/84/09/88/1069840988.db2.gz PNUPZYDTHYMYQS-KRWDZBQOSA-N 0 3 426.539 0.676 20 0 ICADHN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCCN(CCCO)C1 ZINC001475817873 1069840708 /nfs/dbraw/zinc/84/07/08/1069840708.db2.gz PNUPZYDTHYMYQS-QGZVFWFLSA-N 0 3 426.539 0.676 20 0 ICADHN O=C(NCCN1CCCCC1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001475837660 1069842040 /nfs/dbraw/zinc/84/20/40/1069842040.db2.gz ITGXYWZUMVWVKW-INIZCTEOSA-N 0 3 444.579 0.759 20 0 ICADHN O=C(NCCN1CCCCC1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001475837662 1069842244 /nfs/dbraw/zinc/84/22/44/1069842244.db2.gz ITGXYWZUMVWVKW-MRXNPFEDSA-N 0 3 444.579 0.759 20 0 ICADHN CCOc1ccc(NC(=O)N(C)CCN(C)CCO)cc1S(=O)(=O)N1CCOCC1 ZINC001475844535 1069843939 /nfs/dbraw/zinc/84/39/39/1069843939.db2.gz JUVJUVRYBFOEHJ-UHFFFAOYSA-N 0 3 444.554 0.494 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC001475844893 1069844320 /nfs/dbraw/zinc/84/43/20/1069844320.db2.gz GMMMBKOAVIIBGH-INIZCTEOSA-N 0 3 432.525 0.541 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC001475844902 1069843864 /nfs/dbraw/zinc/84/38/64/1069843864.db2.gz GMMMBKOAVIIBGH-MRXNPFEDSA-N 0 3 432.525 0.541 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)NC[C@]34COCCN3C(=O)COC4)c(C)c2)CC1 ZINC001475861604 1069846719 /nfs/dbraw/zinc/84/67/19/1069846719.db2.gz AQWIHIYLFUFHTJ-JOCHJYFZSA-N 0 3 431.537 0.886 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)NC[C@@]34COCCN3C(=O)COC4)c(C)c2)CC1 ZINC001475861605 1069846319 /nfs/dbraw/zinc/84/63/19/1069846319.db2.gz AQWIHIYLFUFHTJ-QFIPXVFZSA-N 0 3 431.537 0.886 20 0 ICADHN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCCN(C)CCO)cc2)C1 ZINC001475892168 1069848718 /nfs/dbraw/zinc/84/87/18/1069848718.db2.gz JVLGPTZNKUWDQM-HNNXBMFYSA-N 0 3 442.538 0.306 20 0 ICADHN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NCCN(C)CCO)cc2)C1 ZINC001475892169 1069849065 /nfs/dbraw/zinc/84/90/65/1069849065.db2.gz JVLGPTZNKUWDQM-OAHLLOKOSA-N 0 3 442.538 0.306 20 0 ICADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 ZINC001475952488 1069850842 /nfs/dbraw/zinc/85/08/42/1069850842.db2.gz NNZCAIHEUHNSCZ-UHFFFAOYSA-N 0 3 431.537 0.762 20 0 ICADHN COC(=O)CN1CCN(c2ccc(NC(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)cc2)CC1 ZINC001476139201 1069861612 /nfs/dbraw/zinc/86/16/12/1069861612.db2.gz HLDHZSQFCQQZCK-KRWDZBQOSA-N 0 3 446.552 0.565 20 0 ICADHN COC(=O)CN1CCN(c2ccc(NC(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)cc2)CC1 ZINC001476139202 1069861395 /nfs/dbraw/zinc/86/13/95/1069861395.db2.gz HLDHZSQFCQQZCK-QGZVFWFLSA-N 0 3 446.552 0.565 20 0 ICADHN COC(=O)CN1CCN(c2ccc(NC(=O)N[C@H]3CCCN(CCCO)C3)cc2)CC1 ZINC001476139405 1069861807 /nfs/dbraw/zinc/86/18/07/1069861807.db2.gz LDAMFOMAUMJFCR-IBGZPJMESA-N 0 3 433.553 0.950 20 0 ICADHN COC(=O)CN1CCN(c2ccc(NC(=O)N[C@@H]3CCCN(CCCO)C3)cc2)CC1 ZINC001476139406 1069861966 /nfs/dbraw/zinc/86/19/66/1069861966.db2.gz LDAMFOMAUMJFCR-LJQANCHMSA-N 0 3 433.553 0.950 20 0 ICADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001476204764 1069866948 /nfs/dbraw/zinc/86/69/48/1069866948.db2.gz QEEKCMGCFBWLRJ-UHFFFAOYSA-N 0 3 443.570 0.819 20 0 ICADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC001476219720 1069868397 /nfs/dbraw/zinc/86/83/97/1069868397.db2.gz VJMBRCPKLICMET-HNNXBMFYSA-N 0 3 435.525 0.852 20 0 ICADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC001476219721 1069868201 /nfs/dbraw/zinc/86/82/01/1069868201.db2.gz VJMBRCPKLICMET-OAHLLOKOSA-N 0 3 435.525 0.852 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC001476229462 1069869091 /nfs/dbraw/zinc/86/90/91/1069869091.db2.gz WFWHKBSFMWFKMA-UHFFFAOYSA-N 0 3 435.525 0.408 20 0 ICADHN CCOC(=O)Cn1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1=O ZINC001476359929 1069876373 /nfs/dbraw/zinc/87/63/73/1069876373.db2.gz JUPYFRAOGOKDEG-UHFFFAOYSA-N 0 3 433.509 0.749 20 0 ICADHN CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cn2)CC1 ZINC001476420647 1069878781 /nfs/dbraw/zinc/87/87/81/1069878781.db2.gz PZJCUKMHPMFGBT-DLBZAZTESA-N 0 3 447.540 0.816 20 0 ICADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCC(N3CCN(C)CC3)CC2)n1 ZINC001476511350 1069882905 /nfs/dbraw/zinc/88/29/05/1069882905.db2.gz WNTSJMHSZXPPQJ-UHFFFAOYSA-N 0 3 426.587 0.870 20 0 ICADHN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC001476553650 1069884705 /nfs/dbraw/zinc/88/47/05/1069884705.db2.gz BLXVNRXBCGQOPV-APWZRJJASA-N 0 3 430.553 0.734 20 0 ICADHN C[C@H]1CN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC[C@@H]1N1CCN(C)CC1 ZINC001476553651 1069884345 /nfs/dbraw/zinc/88/43/45/1069884345.db2.gz BLXVNRXBCGQOPV-LPHOPBHVSA-N 0 3 430.553 0.734 20 0 ICADHN C[C@H]1CN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC[C@H]1N1CCN(C)CC1 ZINC001476553652 1069884216 /nfs/dbraw/zinc/88/42/16/1069884216.db2.gz BLXVNRXBCGQOPV-QFBILLFUSA-N 0 3 430.553 0.734 20 0 ICADHN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC[C@H]1N1CCN(C)CC1 ZINC001476553653 1069884603 /nfs/dbraw/zinc/88/46/03/1069884603.db2.gz BLXVNRXBCGQOPV-VQIMIIECSA-N 0 3 430.553 0.734 20 0 ICADHN COc1ccc(CNS(C)(=O)=O)cc1NC(=O)NCCCCN1CCN(C)CC1 ZINC001476618107 1069888865 /nfs/dbraw/zinc/88/88/65/1069888865.db2.gz VMTXFEDELMWDGT-UHFFFAOYSA-N 0 3 427.571 0.894 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC001476678100 1069890862 /nfs/dbraw/zinc/89/08/62/1069890862.db2.gz MTPVVOMFAQWKQF-KRWDZBQOSA-N 0 3 432.525 0.356 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC001476678101 1069891138 /nfs/dbraw/zinc/89/11/38/1069891138.db2.gz MTPVVOMFAQWKQF-QGZVFWFLSA-N 0 3 432.525 0.356 20 0 ICADHN CN(C)CCn1nccc1NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001476679028 1069890735 /nfs/dbraw/zinc/89/07/35/1069890735.db2.gz BOFRUMPUBGETDS-AWEZNQCLSA-N 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ZINC001477250643 1069910190 /nfs/dbraw/zinc/91/01/90/1069910190.db2.gz BHDMOIUQQZVABG-UHFFFAOYSA-N 0 3 426.587 0.019 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CC1 ZINC001477250670 1069910378 /nfs/dbraw/zinc/91/03/78/1069910378.db2.gz BULIOOFTWIUEOD-NRFANRHFSA-N 0 3 443.592 0.997 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 ZINC001477250671 1069910167 /nfs/dbraw/zinc/91/01/67/1069910167.db2.gz BULIOOFTWIUEOD-OAQYLSRUSA-N 0 3 443.592 0.997 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@]23COC(=O)N2CCOC3)CC1 ZINC001477250692 1069910239 /nfs/dbraw/zinc/91/02/39/1069910239.db2.gz CKCRWXYAZZSSBI-JOCHJYFZSA-N 0 3 431.537 0.845 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@]23COC(=O)N2CCOC3)CC1 ZINC001477250693 1069910356 /nfs/dbraw/zinc/91/03/56/1069910356.db2.gz CKCRWXYAZZSSBI-QFIPXVFZSA-N 0 3 431.537 0.845 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001477251404 1069910299 /nfs/dbraw/zinc/91/02/99/1069910299.db2.gz 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CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1 ZINC001477252151 1069910997 /nfs/dbraw/zinc/91/09/97/1069910997.db2.gz SHVAAOWYCPGKJL-HXUWFJFHSA-N 0 3 432.569 0.664 20 0 ICADHN CNC(=O)NC[C@H]1CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC001477316767 1069914594 /nfs/dbraw/zinc/91/45/94/1069914594.db2.gz KXKZTPXSIUIMHL-PMACEKPBSA-N 0 3 432.569 0.705 20 0 ICADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC001477316768 1069914698 /nfs/dbraw/zinc/91/46/98/1069914698.db2.gz KXKZTPXSIUIMHL-UXHICEINSA-N 0 3 432.569 0.705 20 0 ICADHN CNC(=O)NC[C@H]1CN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC001477316769 1069914550 /nfs/dbraw/zinc/91/45/50/1069914550.db2.gz KXKZTPXSIUIMHL-VQTJNVASSA-N 0 3 432.569 0.705 20 0 ICADHN CNC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC001477316770 1069914572 /nfs/dbraw/zinc/91/45/72/1069914572.db2.gz KXKZTPXSIUIMHL-WOJBJXKFSA-N 0 3 432.569 0.705 20 0 ICADHN C[C@@H]1CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C[C@H]1CS(N)(=O)=O ZINC001477318287 1069915370 /nfs/dbraw/zinc/91/53/70/1069915370.db2.gz LLYKIFDDADCSGK-HOJAQTOUSA-N 0 3 437.610 0.931 20 0 ICADHN C[C@@H]1CN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C[C@H]1CS(N)(=O)=O ZINC001477318288 1069915480 /nfs/dbraw/zinc/91/54/80/1069915480.db2.gz LLYKIFDDADCSGK-YZGWKJHDSA-N 0 3 437.610 0.931 20 0 ICADHN CN1CCN(CCCNC(=O)N2CCC(O)(COCCO)CC2)[C@H](c2ccccc2)C1 ZINC001477318343 1069915674 /nfs/dbraw/zinc/91/56/74/1069915674.db2.gz MUBKIAHEYFNJMV-NRFANRHFSA-N 0 3 434.581 0.911 20 0 ICADHN CN1CCN(CCCNC(=O)N2CCC(O)(COCCO)CC2)[C@@H](c2ccccc2)C1 ZINC001477318344 1069915575 /nfs/dbraw/zinc/91/55/75/1069915575.db2.gz MUBKIAHEYFNJMV-OAQYLSRUSA-N 0 3 434.581 0.911 20 0 ICADHN Cn1ccn2c(CNC(=O)NCCCN3CCN(Cc4ccccc4)CC3)nnc2c1=O ZINC001477319027 1069915529 /nfs/dbraw/zinc/91/55/29/1069915529.db2.gz CJCHSOOGTNAZJY-UHFFFAOYSA-N 0 3 438.536 0.435 20 0 ICADHN CO[C@]1(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 ZINC001477319061 1069915694 /nfs/dbraw/zinc/91/56/94/1069915694.db2.gz CPWMPKQYBXEHAM-NRFANRHFSA-N 0 3 438.594 0.697 20 0 ICADHN CO[C@@]1(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 ZINC001477319063 1069915294 /nfs/dbraw/zinc/91/52/94/1069915294.db2.gz CPWMPKQYBXEHAM-OAQYLSRUSA-N 0 3 438.594 0.697 20 0 ICADHN CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001477319313 1069915423 /nfs/dbraw/zinc/91/54/23/1069915423.db2.gz GCKXZXSSJGKWCF-UHFFFAOYSA-N 0 3 438.536 0.767 20 0 ICADHN COC(=O)[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@H]1C(=O)OC ZINC001477319524 1069915342 /nfs/dbraw/zinc/91/53/42/1069915342.db2.gz IVCGOSBDTPBDAQ-BGYRXZFFSA-N 0 3 446.548 0.798 20 0 ICADHN COC(=O)[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@@H]1C(=O)OC ZINC001477319526 1069915554 /nfs/dbraw/zinc/91/55/54/1069915554.db2.gz IVCGOSBDTPBDAQ-PMACEKPBSA-N 0 3 446.548 0.798 20 0 ICADHN COC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@H]1C(=O)OC ZINC001477319528 1069915500 /nfs/dbraw/zinc/91/55/00/1069915500.db2.gz IVCGOSBDTPBDAQ-WOJBJXKFSA-N 0 3 446.548 0.798 20 0 ICADHN C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001477319914 1069916202 /nfs/dbraw/zinc/91/62/02/1069916202.db2.gz PLUOWAMDSOTJBE-INIZCTEOSA-N 0 3 431.537 0.820 20 0 ICADHN C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001477319916 1069916228 /nfs/dbraw/zinc/91/62/28/1069916228.db2.gz PLUOWAMDSOTJBE-MRXNPFEDSA-N 0 3 431.537 0.820 20 0 ICADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCCN(CCCO)C1 ZINC001477335513 1069916329 /nfs/dbraw/zinc/91/63/29/1069916329.db2.gz BQAUTNFYWYASQF-GOSISDBHSA-N 0 3 440.566 0.354 20 0 ICADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCCN(CCCO)C1 ZINC001477335514 1069916302 /nfs/dbraw/zinc/91/63/02/1069916302.db2.gz BQAUTNFYWYASQF-SFHVURJKSA-N 0 3 440.566 0.354 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)s1 ZINC001477370680 1069920165 /nfs/dbraw/zinc/92/01/65/1069920165.db2.gz TZPBAJTZAFMLDL-UHFFFAOYSA-N 0 3 445.611 0.694 20 0 ICADHN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC001477384605 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ICADHN CN1C(=O)CC[C@H](NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC001478857296 1070022098 /nfs/dbraw/zinc/02/20/98/1070022098.db2.gz XIMHRKHWOXVXHQ-ROUUACIJSA-N 0 3 428.537 0.773 20 0 ICADHN CN1C(=O)CC[C@@H](NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC001478857297 1070021969 /nfs/dbraw/zinc/02/19/69/1070021969.db2.gz XIMHRKHWOXVXHQ-ZWKOTPCHSA-N 0 3 428.537 0.773 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)CC1 ZINC001478869436 1070023254 /nfs/dbraw/zinc/02/32/54/1070023254.db2.gz ZDUMXUDDOZMZLE-SFHVURJKSA-N 0 3 425.574 0.456 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900275 1070026617 /nfs/dbraw/zinc/02/66/17/1070026617.db2.gz LCXOXVUFXYFKDP-APWZRJJASA-N 0 3 445.630 0.836 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478900276 1070026820 /nfs/dbraw/zinc/02/68/20/1070026820.db2.gz LCXOXVUFXYFKDP-VQIMIIECSA-N 0 3 445.630 0.836 20 0 ICADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC001478935197 1070032254 /nfs/dbraw/zinc/03/22/54/1070032254.db2.gz ZCOVNNAZRCBKRU-UHFFFAOYSA-N 0 3 438.598 0.864 20 0 ICADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC001478972187 1070037984 /nfs/dbraw/zinc/03/79/84/1070037984.db2.gz ZXHMXRZAFNTZGC-FQEVSTJZSA-N 0 3 428.581 0.980 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997028 1070039753 /nfs/dbraw/zinc/03/97/53/1070039753.db2.gz PMFUJABUBZIXMY-CVEARBPZSA-N 0 3 439.557 0.916 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997031 1070039803 /nfs/dbraw/zinc/03/98/03/1070039803.db2.gz PMFUJABUBZIXMY-HOTGVXAUSA-N 0 3 439.557 0.916 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997035 1070039714 /nfs/dbraw/zinc/03/97/14/1070039714.db2.gz PMFUJABUBZIXMY-HZPDHXFCSA-N 0 3 439.557 0.916 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997036 1070039829 /nfs/dbraw/zinc/03/98/29/1070039829.db2.gz PMFUJABUBZIXMY-JKSUJKDBSA-N 0 3 439.557 0.916 20 0 ICADHN CN(CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC001478999205 1070040575 /nfs/dbraw/zinc/04/05/75/1070040575.db2.gz YJROIDALTKSJAW-KRWDZBQOSA-N 0 3 441.573 0.818 20 0 ICADHN CN(CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC001478999206 1070040645 /nfs/dbraw/zinc/04/06/45/1070040645.db2.gz YJROIDALTKSJAW-QGZVFWFLSA-N 0 3 441.573 0.818 20 0 ICADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001479004203 1070041050 /nfs/dbraw/zinc/04/10/50/1070041050.db2.gz CXTIQCDGTHEKFE-MSOLQXFVSA-N 0 3 432.587 0.322 20 0 ICADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001479004204 1070041127 /nfs/dbraw/zinc/04/11/27/1070041127.db2.gz CXTIQCDGTHEKFE-QZTJIDSGSA-N 0 3 432.587 0.322 20 0 ICADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001479004206 1070041366 /nfs/dbraw/zinc/04/13/66/1070041366.db2.gz CXTIQCDGTHEKFE-ROUUACIJSA-N 0 3 432.587 0.322 20 0 ICADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001479004208 1070041321 /nfs/dbraw/zinc/04/13/21/1070041321.db2.gz CXTIQCDGTHEKFE-ZWKOTPCHSA-N 0 3 432.587 0.322 20 0 ICADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1CCN([C@H]3CCOC3)CC1)CCS2(=O)=O ZINC001479008035 1070041789 /nfs/dbraw/zinc/04/17/89/1070041789.db2.gz WPVREOAAIFUKRL-MJOCMJMXSA-N 0 3 443.566 0.438 20 0 ICADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1CCN([C@@H]3CCOC3)CC1)CCS2(=O)=O ZINC001479008037 1070042126 /nfs/dbraw/zinc/04/21/26/1070042126.db2.gz WPVREOAAIFUKRL-SXOSEBPOSA-N 0 3 443.566 0.438 20 0 ICADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1CCN([C@@H]3CCOC3)CC1)CCS2(=O)=O ZINC001479008039 1070042004 /nfs/dbraw/zinc/04/20/04/1070042004.db2.gz WPVREOAAIFUKRL-TWODHEICSA-N 0 3 443.566 0.438 20 0 ICADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1CCN([C@H]3CCOC3)CC1)CCS2(=O)=O ZINC001479008041 1070041888 /nfs/dbraw/zinc/04/18/88/1070041888.db2.gz WPVREOAAIFUKRL-UINJJDOFSA-N 0 3 443.566 0.438 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC001479068464 1070047424 /nfs/dbraw/zinc/04/74/24/1070047424.db2.gz BBSSGQNAQGYURS-FQEVSTJZSA-N 0 3 432.569 0.478 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC001479068465 1070047609 /nfs/dbraw/zinc/04/76/09/1070047609.db2.gz BBSSGQNAQGYURS-HXUWFJFHSA-N 0 3 432.569 0.478 20 0 ICADHN CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001479087169 1070049648 /nfs/dbraw/zinc/04/96/48/1070049648.db2.gz RCPVREWBRJBRPL-UHFFFAOYSA-N 0 3 441.573 0.867 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 ZINC001479126677 1070052925 /nfs/dbraw/zinc/05/29/25/1070052925.db2.gz LMWWMIOWGDFIJS-UHFFFAOYSA-N 0 3 430.553 0.907 20 0 ICADHN CN(C(=O)NC[C@]12COCCN1C(=O)COC2)C1CCN(CCc2ccccn2)CC1 ZINC001479131814 1070054800 /nfs/dbraw/zinc/05/48/00/1070054800.db2.gz ITKLBDILRWANSD-JOCHJYFZSA-N 0 3 431.537 0.358 20 0 ICADHN CN(C(=O)NC[C@@]12COCCN1C(=O)COC2)C1CCN(CCc2ccccn2)CC1 ZINC001479131815 1070054604 /nfs/dbraw/zinc/05/46/04/1070054604.db2.gz ITKLBDILRWANSD-QFIPXVFZSA-N 0 3 431.537 0.358 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001479134737 1070056299 /nfs/dbraw/zinc/05/62/99/1070056299.db2.gz GKYGVHLDDOYBDO-UHFFFAOYSA-N 0 3 439.601 0.988 20 0 ICADHN COCCN(CCN(C)C)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001479243489 1070068268 /nfs/dbraw/zinc/06/82/68/1070068268.db2.gz JJUVQBZUHZRLMV-UHFFFAOYSA-N 0 3 425.534 0.790 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001479284336 1070071201 /nfs/dbraw/zinc/07/12/01/1070071201.db2.gz SGOOEBWQJKNLPW-QGZVFWFLSA-N 0 3 431.537 0.314 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001479284793 1070071430 /nfs/dbraw/zinc/07/14/30/1070071430.db2.gz KGLVRFMQNIZJBD-HNNXBMFYSA-N 0 3 425.555 0.339 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC001479284794 1070071496 /nfs/dbraw/zinc/07/14/96/1070071496.db2.gz KGLVRFMQNIZJBD-OAHLLOKOSA-N 0 3 425.555 0.339 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001479349721 1070077625 /nfs/dbraw/zinc/07/76/25/1070077625.db2.gz IDUMUCZTNYMUBI-QFBILLFUSA-N 0 3 425.480 0.898 20 0 ICADHN C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCN1C ZINC001479374462 1070079967 /nfs/dbraw/zinc/07/99/67/1070079967.db2.gz CUGQPLUXVASEFJ-DZGCQCFKSA-N 0 3 437.522 0.126 20 0 ICADHN C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCN1C ZINC001479374465 1070080058 /nfs/dbraw/zinc/08/00/58/1070080058.db2.gz CUGQPLUXVASEFJ-HIFRSBDPSA-N 0 3 437.522 0.126 20 0 ICADHN C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCN1C ZINC001479374466 1070079836 /nfs/dbraw/zinc/07/98/36/1070079836.db2.gz CUGQPLUXVASEFJ-UKRRQHHQSA-N 0 3 437.522 0.126 20 0 ICADHN C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCN1C ZINC001479374467 1070079573 /nfs/dbraw/zinc/07/95/73/1070079573.db2.gz CUGQPLUXVASEFJ-ZFWWWQNUSA-N 0 3 437.522 0.126 20 0 ICADHN C[C@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1nnnn1C ZINC001479495679 1070087264 /nfs/dbraw/zinc/08/72/64/1070087264.db2.gz SIONDYJBEAHSGC-INIZCTEOSA-N 0 3 428.541 0.941 20 0 ICADHN C[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1nnnn1C ZINC001479495680 1070087375 /nfs/dbraw/zinc/08/73/75/1070087375.db2.gz SIONDYJBEAHSGC-MRXNPFEDSA-N 0 3 428.541 0.941 20 0 ICADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479511011 1070090047 /nfs/dbraw/zinc/09/00/47/1070090047.db2.gz XCJZHHJWGMVEQP-MSOLQXFVSA-N 0 3 441.536 0.349 20 0 ICADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479511012 1070090679 /nfs/dbraw/zinc/09/06/79/1070090679.db2.gz XCJZHHJWGMVEQP-ROUUACIJSA-N 0 3 441.536 0.349 20 0 ICADHN COCC(COC)N1CCN(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001479603305 1070097834 /nfs/dbraw/zinc/09/78/34/1070097834.db2.gz GNYVSIYOLDNBSU-UHFFFAOYSA-N 0 3 433.597 0.970 20 0 ICADHN CN1CCN(c2ccc(CCNC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)cc2)CC1 ZINC001479605712 1070098424 /nfs/dbraw/zinc/09/84/24/1070098424.db2.gz VPAUOIVLLHDYPX-JTHBVZDNSA-N 0 3 431.581 0.506 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001493165495 1070103436 /nfs/dbraw/zinc/10/34/36/1070103436.db2.gz KXAMBOMGHPNXFP-FOIQADDNSA-N 0 3 435.598 0.618 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001493165496 1070103383 /nfs/dbraw/zinc/10/33/83/1070103383.db2.gz KXAMBOMGHPNXFP-MGPUTAFESA-N 0 3 435.598 0.618 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001493165497 1070103343 /nfs/dbraw/zinc/10/33/43/1070103343.db2.gz KXAMBOMGHPNXFP-QRWLVFNGSA-N 0 3 435.598 0.618 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001493165498 1070103483 /nfs/dbraw/zinc/10/34/83/1070103483.db2.gz KXAMBOMGHPNXFP-YWZLYKJASA-N 0 3 435.598 0.618 20 0 ICADHN C[C@@H]1CCCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493665686 1070114702 /nfs/dbraw/zinc/11/47/02/1070114702.db2.gz FXFJNKNZVBQXHP-BRWVUGGUSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@@H]1CCCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493665690 1070114416 /nfs/dbraw/zinc/11/44/16/1070114416.db2.gz FXFJNKNZVBQXHP-IKGGRYGDSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@@H]1CCCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493665694 1070114465 /nfs/dbraw/zinc/11/44/65/1070114465.db2.gz FXFJNKNZVBQXHP-IXDOHACOSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@@H]1CCCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493665698 1070114665 /nfs/dbraw/zinc/11/46/65/1070114665.db2.gz FXFJNKNZVBQXHP-ZACQAIPSSA-N 0 3 438.598 0.756 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN1CCC[C@H](C)C1 ZINC001493795699 1070116415 /nfs/dbraw/zinc/11/64/15/1070116415.db2.gz FWLRMVVXRGZWMQ-KRWDZBQOSA-N 0 3 435.573 0.443 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN1CCC[C@@H](C)C1 ZINC001493795700 1070116491 /nfs/dbraw/zinc/11/64/91/1070116491.db2.gz FWLRMVVXRGZWMQ-QGZVFWFLSA-N 0 3 435.573 0.443 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CCN1CCC[C@H](C)C1 ZINC001493795829 1070116388 /nfs/dbraw/zinc/11/63/88/1070116388.db2.gz HWDBLDDTUQAXGT-INIZCTEOSA-N 0 3 435.573 0.619 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001493795830 1070116447 /nfs/dbraw/zinc/11/64/47/1070116447.db2.gz HWDBLDDTUQAXGT-MRXNPFEDSA-N 0 3 435.573 0.619 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001493882228 1070118836 /nfs/dbraw/zinc/11/88/36/1070118836.db2.gz CXSFHYKFIKHBDX-CVEARBPZSA-N 0 3 427.619 0.761 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001493882238 1070118965 /nfs/dbraw/zinc/11/89/65/1070118965.db2.gz CXSFHYKFIKHBDX-HOTGVXAUSA-N 0 3 427.619 0.761 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001493882242 1070118903 /nfs/dbraw/zinc/11/89/03/1070118903.db2.gz CXSFHYKFIKHBDX-HZPDHXFCSA-N 0 3 427.619 0.761 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001493882244 1070119002 /nfs/dbraw/zinc/11/90/02/1070119002.db2.gz CXSFHYKFIKHBDX-JKSUJKDBSA-N 0 3 427.619 0.761 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001494064842 1070122382 /nfs/dbraw/zinc/12/23/82/1070122382.db2.gz UTNWRMBPFOOYRA-DLBZAZTESA-N 0 3 438.598 0.614 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001494064843 1070122568 /nfs/dbraw/zinc/12/25/68/1070122568.db2.gz UTNWRMBPFOOYRA-IAGOWNOFSA-N 0 3 438.598 0.614 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001494064844 1070122576 /nfs/dbraw/zinc/12/25/76/1070122576.db2.gz UTNWRMBPFOOYRA-IRXDYDNUSA-N 0 3 438.598 0.614 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001494064845 1070122312 /nfs/dbraw/zinc/12/23/12/1070122312.db2.gz UTNWRMBPFOOYRA-SJORKVTESA-N 0 3 438.598 0.614 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001494064983 1070122525 /nfs/dbraw/zinc/12/25/25/1070122525.db2.gz YLYPVBDGFGENCF-KRWDZBQOSA-N 0 3 438.598 0.581 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001494064984 1070122509 /nfs/dbraw/zinc/12/25/09/1070122509.db2.gz YLYPVBDGFGENCF-QGZVFWFLSA-N 0 3 438.598 0.581 20 0 ICADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001494120125 1070127625 /nfs/dbraw/zinc/12/76/25/1070127625.db2.gz MTWNVUCTQKAXPT-GOSISDBHSA-N 0 3 440.596 0.957 20 0 ICADHN C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001494120126 1070127714 /nfs/dbraw/zinc/12/77/14/1070127714.db2.gz MTWNVUCTQKAXPT-SFHVURJKSA-N 0 3 440.596 0.957 20 0 ICADHN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001494122068 1070128340 /nfs/dbraw/zinc/12/83/40/1070128340.db2.gz ZFTJSGHPWBGLSA-CVEARBPZSA-N 0 3 438.598 0.722 20 0 ICADHN C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001494122069 1070128469 /nfs/dbraw/zinc/12/84/69/1070128469.db2.gz ZFTJSGHPWBGLSA-HOTGVXAUSA-N 0 3 438.598 0.722 20 0 ICADHN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001494122070 1070128524 /nfs/dbraw/zinc/12/85/24/1070128524.db2.gz ZFTJSGHPWBGLSA-HZPDHXFCSA-N 0 3 438.598 0.722 20 0 ICADHN C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001494122071 1070128283 /nfs/dbraw/zinc/12/82/83/1070128283.db2.gz ZFTJSGHPWBGLSA-JKSUJKDBSA-N 0 3 438.598 0.722 20 0 ICADHN C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001494347426 1070149456 /nfs/dbraw/zinc/14/94/56/1070149456.db2.gz SCVOZOUPMOVBHQ-DLBZAZTESA-N 0 3 440.614 0.431 20 0 ICADHN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001494347427 1070149644 /nfs/dbraw/zinc/14/96/44/1070149644.db2.gz SCVOZOUPMOVBHQ-IAGOWNOFSA-N 0 3 440.614 0.431 20 0 ICADHN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001494347428 1070149540 /nfs/dbraw/zinc/14/95/40/1070149540.db2.gz SCVOZOUPMOVBHQ-IRXDYDNUSA-N 0 3 440.614 0.431 20 0 ICADHN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001494347429 1070149681 /nfs/dbraw/zinc/14/96/81/1070149681.db2.gz SCVOZOUPMOVBHQ-SJORKVTESA-N 0 3 440.614 0.431 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001496161197 1070206273 /nfs/dbraw/zinc/20/62/73/1070206273.db2.gz WOXVDISXVYSSFO-ARFHVFGLSA-N 0 3 426.587 0.973 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001496161198 1070207216 /nfs/dbraw/zinc/20/72/16/1070207216.db2.gz WOXVDISXVYSSFO-HRCADAONSA-N 0 3 426.587 0.973 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001496161199 1070206821 /nfs/dbraw/zinc/20/68/21/1070206821.db2.gz WOXVDISXVYSSFO-JYJNAYRXSA-N 0 3 426.587 0.973 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001496161200 1070207014 /nfs/dbraw/zinc/20/70/14/1070207014.db2.gz WOXVDISXVYSSFO-XHSDSOJGSA-N 0 3 426.587 0.973 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164624 1070206779 /nfs/dbraw/zinc/20/67/79/1070206779.db2.gz MBLWIEWGVKVVQS-DLBZAZTESA-N 0 3 440.614 0.969 20 0 ICADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164625 1070207170 /nfs/dbraw/zinc/20/71/70/1070207170.db2.gz MBLWIEWGVKVVQS-IAGOWNOFSA-N 0 3 440.614 0.969 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164626 1070207327 /nfs/dbraw/zinc/20/73/27/1070207327.db2.gz MBLWIEWGVKVVQS-IRXDYDNUSA-N 0 3 440.614 0.969 20 0 ICADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 ZINC001496164627 1070207041 /nfs/dbraw/zinc/20/70/41/1070207041.db2.gz MBLWIEWGVKVVQS-SJORKVTESA-N 0 3 440.614 0.969 20 0 ICADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165631 1070207249 /nfs/dbraw/zinc/20/72/49/1070207249.db2.gz PDKWEQMTQVKTIC-GDBMZVCRSA-N 0 3 436.586 0.831 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165634 1070206982 /nfs/dbraw/zinc/20/69/82/1070206982.db2.gz PDKWEQMTQVKTIC-GOEBONIOSA-N 0 3 436.586 0.831 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165636 1070207135 /nfs/dbraw/zinc/20/71/35/1070207135.db2.gz PDKWEQMTQVKTIC-HOCLYGCPSA-N 0 3 436.586 0.831 20 0 ICADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001496165638 1070207356 /nfs/dbraw/zinc/20/73/56/1070207356.db2.gz PDKWEQMTQVKTIC-ZBFHGGJFSA-N 0 3 436.586 0.831 20 0 ICADHN CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001496257233 1070209414 /nfs/dbraw/zinc/20/94/14/1070209414.db2.gz IZPAJGXESHNXBH-AEFFLSMTSA-N 0 3 447.584 0.835 20 0 ICADHN CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001496257235 1070209222 /nfs/dbraw/zinc/20/92/22/1070209222.db2.gz IZPAJGXESHNXBH-FUHWJXTLSA-N 0 3 447.584 0.835 20 0 ICADHN CC[C@@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001496257238 1070209345 /nfs/dbraw/zinc/20/93/45/1070209345.db2.gz IZPAJGXESHNXBH-SJLPKXTDSA-N 0 3 447.584 0.835 20 0 ICADHN CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001496257240 1070209537 /nfs/dbraw/zinc/20/95/37/1070209537.db2.gz IZPAJGXESHNXBH-WMZOPIPTSA-N 0 3 447.584 0.835 20 0 ICADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)N(C)C ZINC001496660612 1070216399 /nfs/dbraw/zinc/21/63/99/1070216399.db2.gz JJLZJXZNIZZJBJ-CVEARBPZSA-N 0 3 426.587 0.483 20 0 ICADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)N(C)C ZINC001496660614 1070216780 /nfs/dbraw/zinc/21/67/80/1070216780.db2.gz JJLZJXZNIZZJBJ-HOTGVXAUSA-N 0 3 426.587 0.483 20 0 ICADHN CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)N(C)C ZINC001496660617 1070216832 /nfs/dbraw/zinc/21/68/32/1070216832.db2.gz JJLZJXZNIZZJBJ-HZPDHXFCSA-N 0 3 426.587 0.483 20 0 ICADHN CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)N(C)C ZINC001496660619 1070216733 /nfs/dbraw/zinc/21/67/33/1070216733.db2.gz JJLZJXZNIZZJBJ-JKSUJKDBSA-N 0 3 426.587 0.483 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H]1CCCN1CCCO ZINC001496750756 1070217908 /nfs/dbraw/zinc/21/79/08/1070217908.db2.gz HFXYXEUBDIYMRG-AEFFLSMTSA-N 0 3 449.600 0.710 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCCN1CCCO ZINC001496750759 1070218090 /nfs/dbraw/zinc/21/80/90/1070218090.db2.gz HFXYXEUBDIYMRG-FUHWJXTLSA-N 0 3 449.600 0.710 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H]1CCCN1CCCO ZINC001496750761 1070218113 /nfs/dbraw/zinc/21/81/13/1070218113.db2.gz HFXYXEUBDIYMRG-SJLPKXTDSA-N 0 3 449.600 0.710 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H]1CCCN1CCCO ZINC001496750764 1070217863 /nfs/dbraw/zinc/21/78/63/1070217863.db2.gz HFXYXEUBDIYMRG-WMZOPIPTSA-N 0 3 449.600 0.710 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)OC ZINC001497011627 1070225422 /nfs/dbraw/zinc/22/54/22/1070225422.db2.gz RXNNVUTWYWXPLW-KRWDZBQOSA-N 0 3 449.600 0.976 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)OC ZINC001497011628 1070225056 /nfs/dbraw/zinc/22/50/56/1070225056.db2.gz RXNNVUTWYWXPLW-QGZVFWFLSA-N 0 3 449.600 0.976 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H]1CCCN1CCCO ZINC001497019430 1070225185 /nfs/dbraw/zinc/22/51/85/1070225185.db2.gz BZOXZEVSJGCAST-IBGZPJMESA-N 0 3 449.600 0.712 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H]1CCCN1CCCO ZINC001497019431 1070225319 /nfs/dbraw/zinc/22/53/19/1070225319.db2.gz BZOXZEVSJGCAST-LJQANCHMSA-N 0 3 449.600 0.712 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CC(=O)N1CCOCC1 ZINC001497048301 1070226827 /nfs/dbraw/zinc/22/68/27/1070226827.db2.gz GVLJXQWSBHRRFX-UHFFFAOYSA-N 0 3 449.600 0.833 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCn1cncn1 ZINC001497050466 1070226642 /nfs/dbraw/zinc/22/66/42/1070226642.db2.gz QZTHIBMYISDBHU-UHFFFAOYSA-N 0 3 445.572 0.789 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)N(C)CC ZINC001497050533 1070226843 /nfs/dbraw/zinc/22/68/43/1070226843.db2.gz TVACUCYRPAUKMR-UHFFFAOYSA-N 0 3 449.600 0.976 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN1CCC(C)CC1 ZINC001497084915 1070231091 /nfs/dbraw/zinc/23/10/91/1070231091.db2.gz CCLHIBRBEZCENT-GOSISDBHSA-N 0 3 449.600 0.880 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN1CCC(C)CC1 ZINC001497084919 1070231198 /nfs/dbraw/zinc/23/11/98/1070231198.db2.gz CCLHIBRBEZCENT-SFHVURJKSA-N 0 3 449.600 0.880 20 0 ICADHN CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001497170903 1070235195 /nfs/dbraw/zinc/23/51/95/1070235195.db2.gz CIKYRCXFFYPRFO-DOTOQJQBSA-N 0 3 444.602 0.614 20 0 ICADHN CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001497170904 1070235097 /nfs/dbraw/zinc/23/50/97/1070235097.db2.gz CIKYRCXFFYPRFO-NVXWUHKLSA-N 0 3 444.602 0.614 20 0 ICADHN CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001497170905 1070235327 /nfs/dbraw/zinc/23/53/27/1070235327.db2.gz CIKYRCXFFYPRFO-RDJZCZTQSA-N 0 3 444.602 0.614 20 0 ICADHN CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001497170906 1070235409 /nfs/dbraw/zinc/23/54/09/1070235409.db2.gz CIKYRCXFFYPRFO-WBVHZDCISA-N 0 3 444.602 0.614 20 0 ICADHN CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001497279216 1070236514 /nfs/dbraw/zinc/23/65/14/1070236514.db2.gz PEBQWETYDRTDTN-MSOLQXFVSA-N 0 3 430.557 0.846 20 0 ICADHN CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001497279220 1070236659 /nfs/dbraw/zinc/23/66/59/1070236659.db2.gz PEBQWETYDRTDTN-QZTJIDSGSA-N 0 3 430.557 0.846 20 0 ICADHN CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001497279224 1070236490 /nfs/dbraw/zinc/23/64/90/1070236490.db2.gz PEBQWETYDRTDTN-ROUUACIJSA-N 0 3 430.557 0.846 20 0 ICADHN CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001497279228 1070236323 /nfs/dbraw/zinc/23/63/23/1070236323.db2.gz PEBQWETYDRTDTN-ZWKOTPCHSA-N 0 3 430.557 0.846 20 0 ICADHN CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001497280114 1070236463 /nfs/dbraw/zinc/23/64/63/1070236463.db2.gz VOTNGAVBBZDIRN-GOSISDBHSA-N 0 3 430.557 0.848 20 0 ICADHN CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001497280119 1070236550 /nfs/dbraw/zinc/23/65/50/1070236550.db2.gz VOTNGAVBBZDIRN-SFHVURJKSA-N 0 3 430.557 0.848 20 0 ICADHN CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001497436509 1070239468 /nfs/dbraw/zinc/23/94/68/1070239468.db2.gz GDIMYUBZAMRHQM-UHFFFAOYSA-N 0 3 444.584 0.974 20 0 ICADHN CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001498536711 1070250844 /nfs/dbraw/zinc/25/08/44/1070250844.db2.gz ULEVWBYTFPCXFD-UHFFFAOYSA-N 0 3 444.584 0.938 20 0 ICADHN CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001498605214 1070251867 /nfs/dbraw/zinc/25/18/67/1070251867.db2.gz DRAPHKZDVXVZAB-KRWDZBQOSA-N 0 3 441.646 0.727 20 0 ICADHN CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001498605218 1070251749 /nfs/dbraw/zinc/25/17/49/1070251749.db2.gz DRAPHKZDVXVZAB-QGZVFWFLSA-N 0 3 441.646 0.727 20 0 ICADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001498606792 1070251927 /nfs/dbraw/zinc/25/19/27/1070251927.db2.gz LRVHQSPNUUXQQV-UHFFFAOYSA-N 0 3 444.584 0.920 20 0 ICADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC(=O)N1CCOCC1 ZINC001498607721 1070251810 /nfs/dbraw/zinc/25/18/10/1070251810.db2.gz RIMNPTGGNUWMMJ-UHFFFAOYSA-N 0 3 430.557 0.497 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001498812177 1070253149 /nfs/dbraw/zinc/25/31/49/1070253149.db2.gz ALJVINNFAKLABR-AQOAWAETSA-N 0 3 431.585 0.698 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@]1(C)CN(C)C1=O ZINC001498812178 1070252806 /nfs/dbraw/zinc/25/28/06/1070252806.db2.gz ALJVINNFAKLABR-CECAUBDESA-N 0 3 431.585 0.698 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001498812179 1070253035 /nfs/dbraw/zinc/25/30/35/1070253035.db2.gz ALJVINNFAKLABR-SGXKBVARSA-N 0 3 431.585 0.698 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001498812180 1070253115 /nfs/dbraw/zinc/25/31/15/1070253115.db2.gz ALJVINNFAKLABR-ZJBJCVSYSA-N 0 3 431.585 0.698 20 0 ICADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCCNS(=O)(=O)CC ZINC001498949369 1070255744 /nfs/dbraw/zinc/25/57/44/1070255744.db2.gz INYIBMKGOZOCGQ-UHFFFAOYSA-N 0 3 428.603 0.719 20 0 ICADHN CCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001498949374 1070255974 /nfs/dbraw/zinc/25/59/74/1070255974.db2.gz JAJRTTFCQJPSEL-PMACEKPBSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001498949375 1070255647 /nfs/dbraw/zinc/25/56/47/1070255647.db2.gz JAJRTTFCQJPSEL-UXHICEINSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001498949376 1070255443 /nfs/dbraw/zinc/25/54/43/1070255443.db2.gz JAJRTTFCQJPSEL-VQTJNVASSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001498949377 1070255802 /nfs/dbraw/zinc/25/58/02/1070255802.db2.gz JAJRTTFCQJPSEL-WOJBJXKFSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001498950819 1070255517 /nfs/dbraw/zinc/25/55/17/1070255517.db2.gz FMMISNKRVAKKPA-KRWDZBQOSA-N 0 3 441.646 0.632 20 0 ICADHN CCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001498950823 1070255861 /nfs/dbraw/zinc/25/58/61/1070255861.db2.gz FMMISNKRVAKKPA-QGZVFWFLSA-N 0 3 441.646 0.632 20 0 ICADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498969904 1070256299 /nfs/dbraw/zinc/25/62/99/1070256299.db2.gz GSDYROQRCQGRPK-GOSISDBHSA-N 0 3 441.646 0.728 20 0 ICADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCCN(CC)S(C)(=O)=O ZINC001498969905 1070256560 /nfs/dbraw/zinc/25/65/60/1070256560.db2.gz GSDYROQRCQGRPK-SFHVURJKSA-N 0 3 441.646 0.728 20 0 ICADHN CCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001499106815 1070259907 /nfs/dbraw/zinc/25/99/07/1070259907.db2.gz UIKYHEQWLYQIAB-UHFFFAOYSA-N 0 3 427.619 0.338 20 0 ICADHN CCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCN1CCN(CC)CC1 ZINC001499112852 1070260587 /nfs/dbraw/zinc/26/05/87/1070260587.db2.gz FVPSBVWRJODZQT-UHFFFAOYSA-N 0 3 448.616 0.041 20 0 ICADHN CCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001499113855 1070260901 /nfs/dbraw/zinc/26/09/01/1070260901.db2.gz QKYOOIKCSNKMBQ-GOSISDBHSA-N 0 3 448.616 0.040 20 0 ICADHN CCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001499113856 1070261041 /nfs/dbraw/zinc/26/10/41/1070261041.db2.gz QKYOOIKCSNKMBQ-SFHVURJKSA-N 0 3 448.616 0.040 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001499119281 1070261971 /nfs/dbraw/zinc/26/19/71/1070261971.db2.gz HBXKDVNHAHLLIN-MSOLQXFVSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001499119282 1070261838 /nfs/dbraw/zinc/26/18/38/1070261838.db2.gz HBXKDVNHAHLLIN-QZTJIDSGSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001499119283 1070261513 /nfs/dbraw/zinc/26/15/13/1070261513.db2.gz HBXKDVNHAHLLIN-ROUUACIJSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001499119284 1070261664 /nfs/dbraw/zinc/26/16/64/1070261664.db2.gz HBXKDVNHAHLLIN-ZWKOTPCHSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001499119471 1070261719 /nfs/dbraw/zinc/26/17/19/1070261719.db2.gz KJCXWPPFXHYXAW-INIZCTEOSA-N 0 3 438.598 0.408 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001499119472 1070261573 /nfs/dbraw/zinc/26/15/73/1070261573.db2.gz KJCXWPPFXHYXAW-MRXNPFEDSA-N 0 3 438.598 0.408 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001499120474 1070261765 /nfs/dbraw/zinc/26/17/65/1070261765.db2.gz YUBAIIIQCPVJNH-KRWDZBQOSA-N 0 3 438.598 0.408 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001499120475 1070261626 /nfs/dbraw/zinc/26/16/26/1070261626.db2.gz YUBAIIIQCPVJNH-QGZVFWFLSA-N 0 3 438.598 0.408 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)N1CCCCC1 ZINC001499120513 1070261932 /nfs/dbraw/zinc/26/19/32/1070261932.db2.gz ZDXJVAGNSVQWRN-GOSISDBHSA-N 0 3 431.585 0.986 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)N1CCCCC1 ZINC001499120514 1070261886 /nfs/dbraw/zinc/26/18/86/1070261886.db2.gz ZDXJVAGNSVQWRN-SFHVURJKSA-N 0 3 431.585 0.986 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCC(=O)N1CCOCC1 ZINC001499124454 1070262647 /nfs/dbraw/zinc/26/26/47/1070262647.db2.gz HTUFYHGQUBDADB-UHFFFAOYSA-N 0 3 435.573 0.080 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001499125796 1070263242 /nfs/dbraw/zinc/26/32/42/1070263242.db2.gz DVDVVEDQIYPLFE-INIZCTEOSA-N 0 3 440.614 0.797 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001499125797 1070262956 /nfs/dbraw/zinc/26/29/56/1070262956.db2.gz DVDVVEDQIYPLFE-MRXNPFEDSA-N 0 3 440.614 0.797 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCNC(=O)C1CCC1 ZINC001499125893 1070263173 /nfs/dbraw/zinc/26/31/73/1070263173.db2.gz HPGSVLGOQZPPEX-GOSISDBHSA-N 0 3 431.585 0.890 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCNC(=O)C1CCC1 ZINC001499125894 1070263128 /nfs/dbraw/zinc/26/31/28/1070263128.db2.gz HPGSVLGOQZPPEX-SFHVURJKSA-N 0 3 431.585 0.890 20 0 ICADHN CCc1nnc(N2CCN(c3cccnn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001499157553 1070265313 /nfs/dbraw/zinc/26/53/13/1070265313.db2.gz MTSXEADPCLJYDZ-GOSISDBHSA-N 0 3 441.584 0.900 20 0 ICADHN CCc1nnc(N2CCN(c3cccnn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001499157555 1070265139 /nfs/dbraw/zinc/26/51/39/1070265139.db2.gz MTSXEADPCLJYDZ-SFHVURJKSA-N 0 3 441.584 0.900 20 0 ICADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001499170214 1070266327 /nfs/dbraw/zinc/26/63/27/1070266327.db2.gz KZABCDCDXDFXFY-FUHWJXTLSA-N 0 3 440.614 0.954 20 0 ICADHN CCc1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001499173479 1070267243 /nfs/dbraw/zinc/26/72/43/1070267243.db2.gz YOQQLJPMIXMNLV-IBGZPJMESA-N 0 3 448.660 0.903 20 0 ICADHN CCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001499173480 1070267104 /nfs/dbraw/zinc/26/71/04/1070267104.db2.gz YOQQLJPMIXMNLV-LJQANCHMSA-N 0 3 448.660 0.903 20 0 ICADHN CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001499189722 1070268693 /nfs/dbraw/zinc/26/86/93/1070268693.db2.gz FTJDBTHKKRUQPH-GOSISDBHSA-N 0 3 448.593 0.955 20 0 ICADHN CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001499189723 1070268323 /nfs/dbraw/zinc/26/83/23/1070268323.db2.gz FTJDBTHKKRUQPH-SFHVURJKSA-N 0 3 448.593 0.955 20 0 ICADHN CCc1nnc(N2CCN(CCOC)C(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001499196240 1070268294 /nfs/dbraw/zinc/26/82/94/1070268294.db2.gz ZCQJLERZMSNOQF-KRWDZBQOSA-N 0 3 435.573 0.078 20 0 ICADHN CCc1nnc(N2CCN(CCOC)C(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001499196241 1070268669 /nfs/dbraw/zinc/26/86/69/1070268669.db2.gz ZCQJLERZMSNOQF-QGZVFWFLSA-N 0 3 435.573 0.078 20 0 ICADHN CCc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CCN1CC=CCC1 ZINC001499200158 1070269656 /nfs/dbraw/zinc/26/96/56/1070269656.db2.gz UURHPCXAOOSIOR-UHFFFAOYSA-N 0 3 440.614 0.979 20 0 ICADHN CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001499201027 1070270441 /nfs/dbraw/zinc/27/04/41/1070270441.db2.gz JGWSOUBXXNHCGV-MSOLQXFVSA-N 0 3 446.600 0.587 20 0 ICADHN CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001499201029 1070270410 /nfs/dbraw/zinc/27/04/10/1070270410.db2.gz JGWSOUBXXNHCGV-QZTJIDSGSA-N 0 3 446.600 0.587 20 0 ICADHN CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001499201032 1070270302 /nfs/dbraw/zinc/27/03/02/1070270302.db2.gz JGWSOUBXXNHCGV-ROUUACIJSA-N 0 3 446.600 0.587 20 0 ICADHN CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001499201034 1070270463 /nfs/dbraw/zinc/27/04/63/1070270463.db2.gz JGWSOUBXXNHCGV-ZWKOTPCHSA-N 0 3 446.600 0.587 20 0 ICADHN CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001499201110 1070270234 /nfs/dbraw/zinc/27/02/34/1070270234.db2.gz JYXZXOALLGHJHZ-KRWDZBQOSA-N 0 3 429.500 0.259 20 0 ICADHN CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001499201111 1070270380 /nfs/dbraw/zinc/27/03/80/1070270380.db2.gz JYXZXOALLGHJHZ-QGZVFWFLSA-N 0 3 429.500 0.259 20 0 ICADHN CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001499201591 1070270349 /nfs/dbraw/zinc/27/03/49/1070270349.db2.gz OEIYOTCBQRCXPN-INIZCTEOSA-N 0 3 432.573 0.339 20 0 ICADHN CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001499201592 1070270175 /nfs/dbraw/zinc/27/01/75/1070270175.db2.gz OEIYOTCBQRCXPN-MRXNPFEDSA-N 0 3 432.573 0.339 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001499294348 1070275073 /nfs/dbraw/zinc/27/50/73/1070275073.db2.gz ZAJFYFDCOPQJPM-INIZCTEOSA-N 0 3 434.589 0.157 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001499294349 1070274789 /nfs/dbraw/zinc/27/47/89/1070274789.db2.gz ZAJFYFDCOPQJPM-MRXNPFEDSA-N 0 3 434.589 0.157 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001499321030 1070280612 /nfs/dbraw/zinc/28/06/12/1070280612.db2.gz IXWHUHMPHWHAQX-KRWDZBQOSA-N 0 3 446.600 0.141 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001499321031 1070280821 /nfs/dbraw/zinc/28/08/21/1070280821.db2.gz IXWHUHMPHWHAQX-QGZVFWFLSA-N 0 3 446.600 0.141 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCN(CC)CC1 ZINC001499321595 1070280779 /nfs/dbraw/zinc/28/07/79/1070280779.db2.gz MFRLNQHGLSQAHE-GOSISDBHSA-N 0 3 446.600 0.143 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCN(CC)CC1 ZINC001499321598 1070280737 /nfs/dbraw/zinc/28/07/37/1070280737.db2.gz MFRLNQHGLSQAHE-SFHVURJKSA-N 0 3 446.600 0.143 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001499322164 1070280918 /nfs/dbraw/zinc/28/09/18/1070280918.db2.gz ONFKHEULVJZMBP-MSOLQXFVSA-N 0 3 446.600 0.141 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1 ZINC001499322167 1070280850 /nfs/dbraw/zinc/28/08/50/1070280850.db2.gz ONFKHEULVJZMBP-ROUUACIJSA-N 0 3 446.600 0.141 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1 ZINC001499322169 1070280895 /nfs/dbraw/zinc/28/08/95/1070280895.db2.gz ONFKHEULVJZMBP-ZWKOTPCHSA-N 0 3 446.600 0.141 20 0 ICADHN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)CCN1CCOC ZINC001499721858 1070292195 /nfs/dbraw/zinc/29/21/95/1070292195.db2.gz IRVLJKVXEYRPRD-CVEARBPZSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001499721858 1070292174 /nfs/dbraw/zinc/29/21/74/1070292174.db2.gz IRVLJKVXEYRPRD-CVEARBPZSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)CCN1CCOC ZINC001499721859 1070292530 /nfs/dbraw/zinc/29/25/30/1070292530.db2.gz IRVLJKVXEYRPRD-HOTGVXAUSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001499721859 1070292519 /nfs/dbraw/zinc/29/25/19/1070292519.db2.gz IRVLJKVXEYRPRD-HOTGVXAUSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)CCN1CCOC ZINC001499721860 1070292027 /nfs/dbraw/zinc/29/20/27/1070292027.db2.gz IRVLJKVXEYRPRD-HZPDHXFCSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001499721860 1070292011 /nfs/dbraw/zinc/29/20/11/1070292011.db2.gz IRVLJKVXEYRPRD-HZPDHXFCSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)CCN1CCOC ZINC001499721861 1070292456 /nfs/dbraw/zinc/29/24/56/1070292456.db2.gz IRVLJKVXEYRPRD-JKSUJKDBSA-N 0 3 431.545 0.445 20 0 ICADHN CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001499721861 1070292443 /nfs/dbraw/zinc/29/24/43/1070292443.db2.gz IRVLJKVXEYRPRD-JKSUJKDBSA-N 0 3 431.545 0.445 20 0 ICADHN CCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001499956315 1070302682 /nfs/dbraw/zinc/30/26/82/1070302682.db2.gz TVHSTNWVKFVLCC-JOCHJYFZSA-N 0 3 444.584 0.974 20 0 ICADHN CCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001499956317 1070302643 /nfs/dbraw/zinc/30/26/43/1070302643.db2.gz TVHSTNWVKFVLCC-QFIPXVFZSA-N 0 3 444.584 0.974 20 0 ICADHN CCC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001500091690 1070306118 /nfs/dbraw/zinc/30/61/18/1070306118.db2.gz MTSFCEXDFJETGU-GOSISDBHSA-N 0 3 449.600 0.976 20 0 ICADHN CCC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001500091691 1070305769 /nfs/dbraw/zinc/30/57/69/1070305769.db2.gz MTSFCEXDFJETGU-SFHVURJKSA-N 0 3 449.600 0.976 20 0 ICADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCOC2)CCN1CCOC ZINC001500259835 1070309383 /nfs/dbraw/zinc/30/93/83/1070309383.db2.gz TUNSXNYEPWTVQR-GHTZIAJQSA-N 0 3 433.557 0.767 20 0 ICADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCOC2)CCN1CCOC ZINC001500259836 1070309719 /nfs/dbraw/zinc/30/97/19/1070309719.db2.gz TUNSXNYEPWTVQR-NQIIRXRSSA-N 0 3 433.557 0.767 20 0 ICADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCOC2)CCN1CCOC ZINC001500259837 1070309305 /nfs/dbraw/zinc/30/93/05/1070309305.db2.gz TUNSXNYEPWTVQR-RXVVDRJESA-N 0 3 433.557 0.767 20 0 ICADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCOC2)CCN1CCOC ZINC001500259838 1070309440 /nfs/dbraw/zinc/30/94/40/1070309440.db2.gz TUNSXNYEPWTVQR-WIYYLYMNSA-N 0 3 433.557 0.767 20 0 ICADHN CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001500262908 1070309150 /nfs/dbraw/zinc/30/91/50/1070309150.db2.gz KCTNCDKZXDXFPS-DLBZAZTESA-N 0 3 445.572 0.836 20 0 ICADHN CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001500262909 1070310029 /nfs/dbraw/zinc/31/00/29/1070310029.db2.gz KCTNCDKZXDXFPS-IAGOWNOFSA-N 0 3 445.572 0.836 20 0 ICADHN CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001500262910 1070309871 /nfs/dbraw/zinc/30/98/71/1070309871.db2.gz KCTNCDKZXDXFPS-IRXDYDNUSA-N 0 3 445.572 0.836 20 0 ICADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CCN1CCOC ZINC001500262911 1070309250 /nfs/dbraw/zinc/30/92/50/1070309250.db2.gz KCTNCDKZXDXFPS-SJORKVTESA-N 0 3 445.572 0.836 20 0 ICADHN CCC[C@H]1CN(c2nnc(CC)n2CCN2CCN(C(C)=O)CC2)CCN1CCOC ZINC001500271664 1070310508 /nfs/dbraw/zinc/31/05/08/1070310508.db2.gz NJNALDXJMIFUIS-FQEVSTJZSA-N 0 3 435.617 0.942 20 0 ICADHN CCC[C@@H]1CN(c2nnc(CC)n2CCN2CCN(C(C)=O)CC2)CCN1CCOC ZINC001500271665 1070310254 /nfs/dbraw/zinc/31/02/54/1070310254.db2.gz NJNALDXJMIFUIS-HXUWFJFHSA-N 0 3 435.617 0.942 20 0 ICADHN CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500458343 1070313595 /nfs/dbraw/zinc/31/35/95/1070313595.db2.gz KRQBVUQZEAWJPU-CVEARBPZSA-N 0 3 441.602 0.431 20 0 ICADHN CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001500458344 1070313516 /nfs/dbraw/zinc/31/35/16/1070313516.db2.gz KRQBVUQZEAWJPU-HOTGVXAUSA-N 0 3 441.602 0.431 20 0 ICADHN CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500458345 1070313909 /nfs/dbraw/zinc/31/39/09/1070313909.db2.gz KRQBVUQZEAWJPU-HZPDHXFCSA-N 0 3 441.602 0.431 20 0 ICADHN CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001500458346 1070314066 /nfs/dbraw/zinc/31/40/66/1070314066.db2.gz KRQBVUQZEAWJPU-JKSUJKDBSA-N 0 3 441.602 0.431 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001500789491 1070319190 /nfs/dbraw/zinc/31/91/90/1070319190.db2.gz BDGMMMWVTKIUTJ-INIZCTEOSA-N 0 3 426.587 0.614 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001500789492 1070319301 /nfs/dbraw/zinc/31/93/01/1070319301.db2.gz BDGMMMWVTKIUTJ-MRXNPFEDSA-N 0 3 426.587 0.614 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001500789633 1070318936 /nfs/dbraw/zinc/31/89/36/1070318936.db2.gz FJJXSOQMPGFYIL-INIZCTEOSA-N 0 3 436.586 0.832 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 ZINC001500789634 1070319134 /nfs/dbraw/zinc/31/91/34/1070319134.db2.gz FJJXSOQMPGFYIL-MRXNPFEDSA-N 0 3 436.586 0.832 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001500789784 1070319645 /nfs/dbraw/zinc/31/96/45/1070319645.db2.gz IYHCJHHKGQFLQP-CVEARBPZSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001500789785 1070319237 /nfs/dbraw/zinc/31/92/37/1070319237.db2.gz IYHCJHHKGQFLQP-HOTGVXAUSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001500789786 1070319044 /nfs/dbraw/zinc/31/90/44/1070319044.db2.gz IYHCJHHKGQFLQP-HZPDHXFCSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001500789787 1070319470 /nfs/dbraw/zinc/31/94/70/1070319470.db2.gz IYHCJHHKGQFLQP-JKSUJKDBSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001500790642 1070320143 /nfs/dbraw/zinc/32/01/43/1070320143.db2.gz WRLAHSCCZSLBDI-CVEARBPZSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001500790643 1070319850 /nfs/dbraw/zinc/31/98/50/1070319850.db2.gz WRLAHSCCZSLBDI-HOTGVXAUSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001500790644 1070319934 /nfs/dbraw/zinc/31/99/34/1070319934.db2.gz WRLAHSCCZSLBDI-HZPDHXFCSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001500790645 1070320088 /nfs/dbraw/zinc/32/00/88/1070320088.db2.gz WRLAHSCCZSLBDI-JKSUJKDBSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001500936824 1070322743 /nfs/dbraw/zinc/32/27/43/1070322743.db2.gz USQFSUDQGXFDJX-DOTOQJQBSA-N 0 3 438.598 0.975 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001500936825 1070322343 /nfs/dbraw/zinc/32/23/43/1070322343.db2.gz USQFSUDQGXFDJX-NVXWUHKLSA-N 0 3 438.598 0.975 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001500936826 1070322225 /nfs/dbraw/zinc/32/22/25/1070322225.db2.gz USQFSUDQGXFDJX-RDJZCZTQSA-N 0 3 438.598 0.975 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001500936827 1070322502 /nfs/dbraw/zinc/32/25/02/1070322502.db2.gz USQFSUDQGXFDJX-WBVHZDCISA-N 0 3 438.598 0.975 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001500943030 1070323410 /nfs/dbraw/zinc/32/34/10/1070323410.db2.gz FGSKRJYUGHAVSX-BBWFWOEESA-N 0 3 439.582 0.911 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001500943031 1070323156 /nfs/dbraw/zinc/32/31/56/1070323156.db2.gz FGSKRJYUGHAVSX-GVDBMIGSSA-N 0 3 439.582 0.911 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001500943032 1070323302 /nfs/dbraw/zinc/32/33/02/1070323302.db2.gz FGSKRJYUGHAVSX-ULQDDVLXSA-N 0 3 439.582 0.911 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001500943033 1070323553 /nfs/dbraw/zinc/32/35/53/1070323553.db2.gz FGSKRJYUGHAVSX-YESZJQIVSA-N 0 3 439.582 0.911 20 0 ICADHN CCCN1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001500955530 1070323976 /nfs/dbraw/zinc/32/39/76/1070323976.db2.gz SHSDDPPUCZJRST-DLBZAZTESA-N 0 3 438.598 0.756 20 0 ICADHN CCCN1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001500955531 1070324383 /nfs/dbraw/zinc/32/43/83/1070324383.db2.gz SHSDDPPUCZJRST-IAGOWNOFSA-N 0 3 438.598 0.756 20 0 ICADHN CCCN1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001500955532 1070324201 /nfs/dbraw/zinc/32/42/01/1070324201.db2.gz SHSDDPPUCZJRST-IRXDYDNUSA-N 0 3 438.598 0.756 20 0 ICADHN CCCN1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001500955533 1070323805 /nfs/dbraw/zinc/32/38/05/1070323805.db2.gz SHSDDPPUCZJRST-SJORKVTESA-N 0 3 438.598 0.756 20 0 ICADHN CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001501144862 1070330927 /nfs/dbraw/zinc/33/09/27/1070330927.db2.gz DQHIIEOFKMXACM-KRWDZBQOSA-N 0 3 435.573 0.491 20 0 ICADHN CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001501144863 1070330562 /nfs/dbraw/zinc/33/05/62/1070330562.db2.gz DQHIIEOFKMXACM-QGZVFWFLSA-N 0 3 435.573 0.491 20 0 ICADHN CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001501162471 1070331677 /nfs/dbraw/zinc/33/16/77/1070331677.db2.gz NHKKBNBWVDBQHU-KRWDZBQOSA-N 0 3 428.541 0.810 20 0 ICADHN CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001501162472 1070331790 /nfs/dbraw/zinc/33/17/90/1070331790.db2.gz NHKKBNBWVDBQHU-QGZVFWFLSA-N 0 3 428.541 0.810 20 0 ICADHN CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501173032 1070333629 /nfs/dbraw/zinc/33/36/29/1070333629.db2.gz MJJUXNNHUOMNNI-GOSISDBHSA-N 0 3 431.585 0.890 20 0 ICADHN CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501173033 1070333366 /nfs/dbraw/zinc/33/33/66/1070333366.db2.gz MJJUXNNHUOMNNI-SFHVURJKSA-N 0 3 431.585 0.890 20 0 ICADHN CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001501197021 1070337328 /nfs/dbraw/zinc/33/73/28/1070337328.db2.gz WMSFLAKFVGBCQO-UHFFFAOYSA-N 0 3 444.584 0.800 20 0 ICADHN CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001501199010 1070337091 /nfs/dbraw/zinc/33/70/91/1070337091.db2.gz BBYBPKQZMLCFAL-UHFFFAOYSA-N 0 3 428.541 0.810 20 0 ICADHN CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001501199244 1070337243 /nfs/dbraw/zinc/33/72/43/1070337243.db2.gz KDUOVEQGUORVNI-UHFFFAOYSA-N 0 3 428.541 0.810 20 0 ICADHN CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501199406 1070337523 /nfs/dbraw/zinc/33/75/23/1070337523.db2.gz QBYJPTBZCXKYOF-UHFFFAOYSA-N 0 3 441.540 0.006 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001501202683 1070338994 /nfs/dbraw/zinc/33/89/94/1070338994.db2.gz YHENVPJLLIXJIW-NVXWUHKLSA-N 0 3 433.557 0.445 20 0 ICADHN CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001501202684 1070338924 /nfs/dbraw/zinc/33/89/24/1070338924.db2.gz YHENVPJLLIXJIW-WBVHZDCISA-N 0 3 433.557 0.445 20 0 ICADHN CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001501204812 1070340203 /nfs/dbraw/zinc/34/02/03/1070340203.db2.gz SLZIRINTDBTDDN-MOPGFXCFSA-N 0 3 433.601 0.915 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001501204814 1070340471 /nfs/dbraw/zinc/34/04/71/1070340471.db2.gz SLZIRINTDBTDDN-OALUTQOASA-N 0 3 433.601 0.915 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001501204816 1070340034 /nfs/dbraw/zinc/34/00/34/1070340034.db2.gz SLZIRINTDBTDDN-RBUKOAKNSA-N 0 3 433.601 0.915 20 0 ICADHN CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001501204818 1070340270 /nfs/dbraw/zinc/34/02/70/1070340270.db2.gz SLZIRINTDBTDDN-RTBURBONSA-N 0 3 433.601 0.915 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001501388919 1070344711 /nfs/dbraw/zinc/34/47/11/1070344711.db2.gz BGMSMYJCTNJSBK-ILXRZTDVSA-N 0 3 429.591 0.286 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001501388920 1070344436 /nfs/dbraw/zinc/34/44/36/1070344436.db2.gz BGMSMYJCTNJSBK-KFWWJZLASA-N 0 3 429.591 0.286 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001501388921 1070344653 /nfs/dbraw/zinc/34/46/53/1070344653.db2.gz BGMSMYJCTNJSBK-KKUMJFAQSA-N 0 3 429.591 0.286 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001501388922 1070344503 /nfs/dbraw/zinc/34/45/03/1070344503.db2.gz BGMSMYJCTNJSBK-ZNMIVQPWSA-N 0 3 429.591 0.286 20 0 ICADHN CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001501389214 1070345350 /nfs/dbraw/zinc/34/53/50/1070345350.db2.gz LXDJKYCQHDALBN-KRWDZBQOSA-N 0 3 447.584 0.682 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501410118 1070347381 /nfs/dbraw/zinc/34/73/81/1070347381.db2.gz MAUCWXCZUUMFIJ-GOSISDBHSA-N 0 3 442.568 0.505 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501410121 1070347096 /nfs/dbraw/zinc/34/70/96/1070347096.db2.gz MAUCWXCZUUMFIJ-SFHVURJKSA-N 0 3 442.568 0.505 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501416129 1070348719 /nfs/dbraw/zinc/34/87/19/1070348719.db2.gz BVOKEACJPIHCSY-MSOLQXFVSA-N 0 3 447.584 0.741 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001501416130 1070348646 /nfs/dbraw/zinc/34/86/46/1070348646.db2.gz BVOKEACJPIHCSY-QZTJIDSGSA-N 0 3 447.584 0.741 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501416131 1070348271 /nfs/dbraw/zinc/34/82/71/1070348271.db2.gz BVOKEACJPIHCSY-ROUUACIJSA-N 0 3 447.584 0.741 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001501416132 1070348469 /nfs/dbraw/zinc/34/84/69/1070348469.db2.gz BVOKEACJPIHCSY-ZWKOTPCHSA-N 0 3 447.584 0.741 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501420985 1070349739 /nfs/dbraw/zinc/34/97/39/1070349739.db2.gz HGYAAJWDRURLMO-KRWDZBQOSA-N 0 3 433.557 0.005 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501420986 1070349861 /nfs/dbraw/zinc/34/98/61/1070349861.db2.gz HGYAAJWDRURLMO-QGZVFWFLSA-N 0 3 433.557 0.005 20 0 ICADHN CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001501426526 1070351531 /nfs/dbraw/zinc/35/15/31/1070351531.db2.gz DYVJJNFRSKCWLX-IBGZPJMESA-N 0 3 427.553 0.901 20 0 ICADHN CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001501426527 1070351291 /nfs/dbraw/zinc/35/12/91/1070351291.db2.gz DYVJJNFRSKCWLX-LJQANCHMSA-N 0 3 427.553 0.901 20 0 ICADHN CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001501426623 1070351184 /nfs/dbraw/zinc/35/11/84/1070351184.db2.gz HSRAIUHGLKXKHR-GOSISDBHSA-N 0 3 427.553 0.901 20 0 ICADHN CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001501426624 1070351219 /nfs/dbraw/zinc/35/12/19/1070351219.db2.gz HSRAIUHGLKXKHR-SFHVURJKSA-N 0 3 427.553 0.901 20 0 ICADHN CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001501426802 1070351761 /nfs/dbraw/zinc/35/17/61/1070351761.db2.gz NNIYQDDZMBYOIW-IBGZPJMESA-N 0 3 427.553 0.901 20 0 ICADHN CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001501426803 1070351353 /nfs/dbraw/zinc/35/13/53/1070351353.db2.gz NNIYQDDZMBYOIW-LJQANCHMSA-N 0 3 427.553 0.901 20 0 ICADHN CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001501432148 1070352107 /nfs/dbraw/zinc/35/21/07/1070352107.db2.gz LOIBQVCUNDQEQE-UHFFFAOYSA-N 0 3 433.557 0.180 20 0 ICADHN CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001501432663 1070353049 /nfs/dbraw/zinc/35/30/49/1070353049.db2.gz UWUQGEIZBGFVAD-IBGZPJMESA-N 0 3 444.584 0.777 20 0 ICADHN CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001501432664 1070352877 /nfs/dbraw/zinc/35/28/77/1070352877.db2.gz UWUQGEIZBGFVAD-LJQANCHMSA-N 0 3 444.584 0.777 20 0 ICADHN CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCc2nnc(C)[nH]2)CC1 ZINC001501785666 1070366038 /nfs/dbraw/zinc/36/60/38/1070366038.db2.gz HEKPMBWHJXFYMT-KRWDZBQOSA-N 0 3 445.572 0.442 20 0 ICADHN CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nnc(C)[nH]2)CC1 ZINC001501785667 1070365782 /nfs/dbraw/zinc/36/57/82/1070365782.db2.gz HEKPMBWHJXFYMT-QGZVFWFLSA-N 0 3 445.572 0.442 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001501802774 1070368856 /nfs/dbraw/zinc/36/88/56/1070368856.db2.gz XOHGZJPRGOCANS-FUHWJXTLSA-N 0 3 440.614 0.969 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001501802775 1070368698 /nfs/dbraw/zinc/36/86/98/1070368698.db2.gz XOHGZJPRGOCANS-WMZOPIPTSA-N 0 3 440.614 0.969 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCC2)CC1 ZINC001501899166 1070369856 /nfs/dbraw/zinc/36/98/56/1070369856.db2.gz JGIGSBVHHIVCOZ-UHFFFAOYSA-N 0 3 435.573 0.322 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)O)CC1 ZINC001501899704 1070369775 /nfs/dbraw/zinc/36/97/75/1070369775.db2.gz QWRZUJVQPBSZDK-UHFFFAOYSA-N 0 3 435.573 0.275 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001501899995 1070369898 /nfs/dbraw/zinc/36/98/98/1070369898.db2.gz UWDQSCAZZDXKFR-UHFFFAOYSA-N 0 3 449.600 0.425 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCOC2)CC1 ZINC001501900197 1070369811 /nfs/dbraw/zinc/36/98/11/1070369811.db2.gz YRSJIDJXBTYYKB-GOSISDBHSA-N 0 3 449.600 0.833 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCOC2)CC1 ZINC001501900198 1070370274 /nfs/dbraw/zinc/37/02/74/1070370274.db2.gz YRSJIDJXBTYYKB-SFHVURJKSA-N 0 3 449.600 0.833 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC2)CC1 ZINC001501901207 1070369734 /nfs/dbraw/zinc/36/97/34/1070369734.db2.gz IQDHFTFTGGFKTR-AWEZNQCLSA-N 0 3 427.575 0.214 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC2)CC1 ZINC001501901208 1070370199 /nfs/dbraw/zinc/37/01/99/1070370199.db2.gz IQDHFTFTGGFKTR-CQSZACIVSA-N 0 3 427.575 0.214 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 ZINC001501901381 1070370023 /nfs/dbraw/zinc/37/00/23/1070370023.db2.gz NKVGYRMBMHDSEA-IBGZPJMESA-N 0 3 444.584 0.978 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 ZINC001501901382 1070370106 /nfs/dbraw/zinc/37/01/06/1070370106.db2.gz NKVGYRMBMHDSEA-LJQANCHMSA-N 0 3 444.584 0.978 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001501901406 1070369695 /nfs/dbraw/zinc/36/96/95/1070369695.db2.gz OIKLNIQMFWVLGM-KRWDZBQOSA-N 0 3 426.587 0.544 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001501901407 1070370061 /nfs/dbraw/zinc/37/00/61/1070370061.db2.gz OIKLNIQMFWVLGM-QGZVFWFLSA-N 0 3 426.587 0.544 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001501901450 1070370923 /nfs/dbraw/zinc/37/09/23/1070370923.db2.gz PRAVAPDYLLDRKR-UHFFFAOYSA-N 0 3 440.614 0.934 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001501901485 1070370583 /nfs/dbraw/zinc/37/05/83/1070370583.db2.gz RGZSTQKNWQGCLW-FQEVSTJZSA-N 0 3 435.617 0.934 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001501901486 1070370851 /nfs/dbraw/zinc/37/08/51/1070370851.db2.gz RGZSTQKNWQGCLW-HXUWFJFHSA-N 0 3 435.617 0.934 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccc(-n3cncn3)nc2)CC1 ZINC001501901752 1070371232 /nfs/dbraw/zinc/37/12/32/1070371232.db2.gz YLCFHQHYOWFFAQ-UHFFFAOYSA-N 0 3 438.540 0.601 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2COCCO2)CC1 ZINC001501903575 1070370487 /nfs/dbraw/zinc/37/04/87/1070370487.db2.gz BETCQXGAYBGBRC-SFHVURJKSA-N 0 3 445.568 0.689 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ncn(C)n2)CC1 ZINC001501903598 1070370762 /nfs/dbraw/zinc/37/07/62/1070370762.db2.gz BZFMVLPPCGNBKX-UHFFFAOYSA-N 0 3 440.556 0.451 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCNC(C)=O)CC1 ZINC001501903720 1070370632 /nfs/dbraw/zinc/37/06/32/1070370632.db2.gz GVQLWBVYDBZBMA-UHFFFAOYSA-N 0 3 442.568 0.857 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[S@@](=O)CC)CC1 ZINC001501903725 1070371283 /nfs/dbraw/zinc/37/12/83/1070371283.db2.gz HCFHOKVIPMEGPU-HKBQPEDESA-N 0 3 448.597 0.494 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[S@](=O)CC)CC1 ZINC001501903726 1070371135 /nfs/dbraw/zinc/37/11/35/1070371135.db2.gz HCFHOKVIPMEGPU-WJOKGBTCSA-N 0 3 448.597 0.494 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(=O)NC(C)C)CC1 ZINC001501903735 1070371097 /nfs/dbraw/zinc/37/10/97/1070371097.db2.gz HLCPWBPROLVBAL-UHFFFAOYSA-N 0 3 442.568 0.855 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)CC)CC1 ZINC001501903747 1070370800 /nfs/dbraw/zinc/37/08/00/1070370800.db2.gz HXNOLNPRPCMZGS-NRFANRHFSA-N 0 3 430.557 0.887 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)CC)CC1 ZINC001501903748 1070371049 /nfs/dbraw/zinc/37/10/49/1070371049.db2.gz HXNOLNPRPCMZGS-OAQYLSRUSA-N 0 3 430.557 0.887 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2cnn(C)c2)CC1 ZINC001501903755 1070371185 /nfs/dbraw/zinc/37/11/85/1070371185.db2.gz IIUWWJFDYOTEAQ-UHFFFAOYSA-N 0 3 438.540 0.507 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(=O)NC(C)C)CC1 ZINC001501903761 1070370723 /nfs/dbraw/zinc/37/07/23/1070370723.db2.gz IQJHPHRKOOZKFM-UHFFFAOYSA-N 0 3 443.556 0.250 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nncn2CC)CC1 ZINC001501903846 1070370446 /nfs/dbraw/zinc/37/04/46/1070370446.db2.gz LIARZMPPEFUUDA-UHFFFAOYSA-N 0 3 440.556 0.923 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccn(C)n2)CC1 ZINC001501903907 1070370680 /nfs/dbraw/zinc/37/06/80/1070370680.db2.gz NHIJQEUKSGKISP-KRWDZBQOSA-N 0 3 443.556 0.001 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccn(C)n2)CC1 ZINC001501903908 1070370958 /nfs/dbraw/zinc/37/09/58/1070370958.db2.gz NHIJQEUKSGKISP-QGZVFWFLSA-N 0 3 443.556 0.001 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(=O)N(C)C)CC1 ZINC001501903923 1070371001 /nfs/dbraw/zinc/37/10/01/1070371001.db2.gz NQMZXUVSYKHFOO-UHFFFAOYSA-N 0 3 428.541 0.419 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCC2)CC1 ZINC001501903945 1070370887 /nfs/dbraw/zinc/37/08/87/1070370887.db2.gz OOOJGOFEPNZBFR-INIZCTEOSA-N 0 3 433.557 0.135 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCC2)CC1 ZINC001501903946 1070370527 /nfs/dbraw/zinc/37/05/27/1070370527.db2.gz OOOJGOFEPNZBFR-MRXNPFEDSA-N 0 3 433.557 0.135 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501903972 1070371596 /nfs/dbraw/zinc/37/15/96/1070371596.db2.gz PKEMTGONMOHMNC-MRXNPFEDSA-N 0 3 428.541 0.542 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001501904011 1070371459 /nfs/dbraw/zinc/37/14/59/1070371459.db2.gz RHCBWRCUADKXFX-HTAPYJJXSA-N 0 3 447.584 0.381 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)C2CC2)CC1 ZINC001501904012 1070371925 /nfs/dbraw/zinc/37/19/25/1070371925.db2.gz RHCBWRCUADKXFX-JTSKRJEESA-N 0 3 447.584 0.381 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001501904013 1070372398 /nfs/dbraw/zinc/37/23/98/1070372398.db2.gz RHCBWRCUADKXFX-VGOFRKELSA-N 0 3 447.584 0.381 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C2CC2)CC1 ZINC001501904014 1070372203 /nfs/dbraw/zinc/37/22/03/1070372203.db2.gz RHCBWRCUADKXFX-VGSWGCGISA-N 0 3 447.584 0.381 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCOCC2)CC1 ZINC001501904022 1070372074 /nfs/dbraw/zinc/37/20/74/1070372074.db2.gz RSQUIZSPNIEGIA-GOSISDBHSA-N 0 3 447.584 0.646 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCOCC2)CC1 ZINC001501904023 1070371414 /nfs/dbraw/zinc/37/14/14/1070371414.db2.gz RSQUIZSPNIEGIA-SFHVURJKSA-N 0 3 447.584 0.646 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001501904080 1070372441 /nfs/dbraw/zinc/37/24/41/1070372441.db2.gz TXOZBJILEGXLOA-UHFFFAOYSA-N 0 3 430.557 0.742 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2COCCO2)CC1 ZINC001501904216 1070371890 /nfs/dbraw/zinc/37/18/90/1070371890.db2.gz YSXOWTLMQDACRL-KRWDZBQOSA-N 0 3 444.540 0.141 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2COCCO2)CC1 ZINC001501904217 1070372365 /nfs/dbraw/zinc/37/23/65/1070372365.db2.gz YSXOWTLMQDACRL-QGZVFWFLSA-N 0 3 444.540 0.141 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501904230 1070372035 /nfs/dbraw/zinc/37/20/35/1070372035.db2.gz ZQHGWXTUTMYUIO-GOSISDBHSA-N 0 3 440.552 0.609 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2ccnn2)CC1 ZINC001501904233 1070371639 /nfs/dbraw/zinc/37/16/39/1070371639.db2.gz ZSYBLXGBOUSSAN-UHFFFAOYSA-N 0 3 440.556 0.945 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@@H]2C)CC1 ZINC001501907006 1070371773 /nfs/dbraw/zinc/37/17/73/1070371773.db2.gz PWXSVPOQGKPQNU-BBWFWOEESA-N 0 3 438.598 0.752 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C)CC1 ZINC001501907007 1070372329 /nfs/dbraw/zinc/37/23/29/1070372329.db2.gz PWXSVPOQGKPQNU-BRWVUGGUSA-N 0 3 438.598 0.752 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001501907008 1070373073 /nfs/dbraw/zinc/37/30/73/1070373073.db2.gz PWXSVPOQGKPQNU-GVDBMIGSSA-N 0 3 438.598 0.752 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@H]2C)CC1 ZINC001501907009 1070372849 /nfs/dbraw/zinc/37/28/49/1070372849.db2.gz PWXSVPOQGKPQNU-ZACQAIPSSA-N 0 3 438.598 0.752 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NC(C)C)CC1 ZINC001501907018 1070372917 /nfs/dbraw/zinc/37/29/17/1070372917.db2.gz QAASSBAXNDLJPU-KRWDZBQOSA-N 0 3 435.573 0.297 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NC(C)C)CC1 ZINC001501907021 1070372815 /nfs/dbraw/zinc/37/28/15/1070372815.db2.gz QAASSBAXNDLJPU-QGZVFWFLSA-N 0 3 435.573 0.297 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)C)CC1 ZINC001501907593 1070373154 /nfs/dbraw/zinc/37/31/54/1070373154.db2.gz XVHZYTDUDKTXOV-UHFFFAOYSA-N 0 3 442.568 0.343 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CC)CC1 ZINC001501909853 1070372772 /nfs/dbraw/zinc/37/27/72/1070372772.db2.gz IILUTZHGIWLPIU-JOCHJYFZSA-N 0 3 449.600 0.552 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CC)CC1 ZINC001501909854 1070372596 /nfs/dbraw/zinc/37/25/96/1070372596.db2.gz IILUTZHGIWLPIU-QFIPXVFZSA-N 0 3 449.600 0.552 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NC)CC1 ZINC001501910658 1070373030 /nfs/dbraw/zinc/37/30/30/1070373030.db2.gz XABZJRQSYRZSKB-UHFFFAOYSA-N 0 3 442.568 0.390 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCS(C)(=O)=O)CC1 ZINC001501910727 1070372639 /nfs/dbraw/zinc/37/26/39/1070372639.db2.gz YOBBYQRMXOFFJR-MRXNPFEDSA-N 0 3 442.586 0.165 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001501980569 1070374911 /nfs/dbraw/zinc/37/49/11/1070374911.db2.gz DRNZGCXWQDEYOE-GDBMZVCRSA-N 0 3 426.587 0.973 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001501980570 1070374869 /nfs/dbraw/zinc/37/48/69/1070374869.db2.gz DRNZGCXWQDEYOE-ZBFHGGJFSA-N 0 3 426.587 0.973 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001501982224 1070374665 /nfs/dbraw/zinc/37/46/65/1070374665.db2.gz FCJAWEBOSCPVFL-GQIGUUNPSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001501982225 1070374540 /nfs/dbraw/zinc/37/45/40/1070374540.db2.gz FCJAWEBOSCPVFL-GUXCAODWSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001501982226 1070374621 /nfs/dbraw/zinc/37/46/21/1070374621.db2.gz FCJAWEBOSCPVFL-JXXFODFXSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001501982227 1070374768 /nfs/dbraw/zinc/37/47/68/1070374768.db2.gz FCJAWEBOSCPVFL-QINHECLXSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501982384 1070375525 /nfs/dbraw/zinc/37/55/25/1070375525.db2.gz KGZZSNYJRVVZTP-BZUAXINKSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501982385 1070375068 /nfs/dbraw/zinc/37/50/68/1070375068.db2.gz KGZZSNYJRVVZTP-OAGGEKHMSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501982386 1070375271 /nfs/dbraw/zinc/37/52/71/1070375271.db2.gz KGZZSNYJRVVZTP-OWCLPIDISA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501982387 1070375709 /nfs/dbraw/zinc/37/57/09/1070375709.db2.gz KGZZSNYJRVVZTP-PMPSAXMXSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001501982513 1070375379 /nfs/dbraw/zinc/37/53/79/1070375379.db2.gz MCWGGDHQVMOYMF-BZUAXINKSA-N 0 3 426.587 0.577 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001501982514 1070375415 /nfs/dbraw/zinc/37/54/15/1070375415.db2.gz MCWGGDHQVMOYMF-OAGGEKHMSA-N 0 3 426.587 0.577 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001501982517 1070375145 /nfs/dbraw/zinc/37/51/45/1070375145.db2.gz MCWGGDHQVMOYMF-OWCLPIDISA-N 0 3 426.587 0.577 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001501982519 1070375335 /nfs/dbraw/zinc/37/53/35/1070375335.db2.gz MCWGGDHQVMOYMF-PMPSAXMXSA-N 0 3 426.587 0.577 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001501983218 1070375232 /nfs/dbraw/zinc/37/52/32/1070375232.db2.gz ZENCVXKKWVYEMQ-NVXWUHKLSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001501983219 1070375746 /nfs/dbraw/zinc/37/57/46/1070375746.db2.gz ZENCVXKKWVYEMQ-WBVHZDCISA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CCCn1c(C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC001502179359 1070378479 /nfs/dbraw/zinc/37/84/79/1070378479.db2.gz DXQNTCGAVDKMDD-INIZCTEOSA-N 0 3 428.603 0.948 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1)C(C)C ZINC001502198933 1070382425 /nfs/dbraw/zinc/38/24/25/1070382425.db2.gz AKCHMAUWERJKBZ-KRWDZBQOSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1)C(C)C ZINC001502198934 1070382619 /nfs/dbraw/zinc/38/26/19/1070382619.db2.gz AKCHMAUWERJKBZ-QGZVFWFLSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1)C(C)C ZINC001502199836 1070383228 /nfs/dbraw/zinc/38/32/28/1070383228.db2.gz UNWSJTXBTLRSSF-INIZCTEOSA-N 0 3 436.586 0.831 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1)C(C)C ZINC001502199837 1070383862 /nfs/dbraw/zinc/38/38/62/1070383862.db2.gz UNWSJTXBTLRSSF-MRXNPFEDSA-N 0 3 436.586 0.831 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001502200053 1070383662 /nfs/dbraw/zinc/38/36/62/1070383662.db2.gz YKGUWBFFDFIGEZ-GOSISDBHSA-N 0 3 440.614 0.969 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001502200054 1070383760 /nfs/dbraw/zinc/38/37/60/1070383760.db2.gz YKGUWBFFDFIGEZ-SFHVURJKSA-N 0 3 440.614 0.969 20 0 ICADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001502236793 1070395367 /nfs/dbraw/zinc/39/53/67/1070395367.db2.gz HGFWXWXEYRREKF-UHFFFAOYSA-N 0 3 445.572 0.625 20 0 ICADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001502238211 1070395093 /nfs/dbraw/zinc/39/50/93/1070395093.db2.gz SKWWRNRNNQZFHN-UHFFFAOYSA-N 0 3 445.572 0.625 20 0 ICADHN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001502238233 1070395308 /nfs/dbraw/zinc/39/53/08/1070395308.db2.gz TTZSMMNZCJFUPF-HNNXBMFYSA-N 0 3 439.590 0.326 20 0 ICADHN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001502238234 1070395170 /nfs/dbraw/zinc/39/51/70/1070395170.db2.gz TTZSMMNZCJFUPF-OAHLLOKOSA-N 0 3 439.590 0.326 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001502242471 1070396881 /nfs/dbraw/zinc/39/68/81/1070396881.db2.gz AQDCOBIFWUCRSG-BZSNNMDCSA-N 0 3 449.600 0.830 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502242472 1070396677 /nfs/dbraw/zinc/39/66/77/1070396677.db2.gz AQDCOBIFWUCRSG-FGTMMUONSA-N 0 3 449.600 0.830 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001502242473 1070397091 /nfs/dbraw/zinc/39/70/91/1070397091.db2.gz AQDCOBIFWUCRSG-OKZBNKHCSA-N 0 3 449.600 0.830 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502242474 1070396985 /nfs/dbraw/zinc/39/69/85/1070396985.db2.gz AQDCOBIFWUCRSG-SQNIBIBYSA-N 0 3 449.600 0.830 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001502243068 1070397143 /nfs/dbraw/zinc/39/71/43/1070397143.db2.gz NYNLPLRUDKTUCR-DLBZAZTESA-N 0 3 445.572 0.607 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001502243069 1070396732 /nfs/dbraw/zinc/39/67/32/1070396732.db2.gz NYNLPLRUDKTUCR-IAGOWNOFSA-N 0 3 445.572 0.607 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001502243070 1070396783 /nfs/dbraw/zinc/39/67/83/1070396783.db2.gz NYNLPLRUDKTUCR-IRXDYDNUSA-N 0 3 445.572 0.607 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001502243071 1070397029 /nfs/dbraw/zinc/39/70/29/1070397029.db2.gz NYNLPLRUDKTUCR-SJORKVTESA-N 0 3 445.572 0.607 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001502245099 1070397908 /nfs/dbraw/zinc/39/79/08/1070397908.db2.gz PGUNJPCCRNJYEA-BYNSBNAKSA-N 0 3 427.575 0.086 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001502245100 1070398188 /nfs/dbraw/zinc/39/81/88/1070398188.db2.gz PGUNJPCCRNJYEA-CBBWQLFWSA-N 0 3 427.575 0.086 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001502245101 1070397608 /nfs/dbraw/zinc/39/76/08/1070397608.db2.gz PGUNJPCCRNJYEA-LXTVHRRPSA-N 0 3 427.575 0.086 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001502245102 1070397499 /nfs/dbraw/zinc/39/74/99/1070397499.db2.gz PGUNJPCCRNJYEA-ZQDZILKHSA-N 0 3 427.575 0.086 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001502245239 1070397378 /nfs/dbraw/zinc/39/73/78/1070397378.db2.gz QZESBAFVFKQVFN-HRCADAONSA-N 0 3 443.618 0.579 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001502245240 1070397682 /nfs/dbraw/zinc/39/76/82/1070397682.db2.gz QZESBAFVFKQVFN-JYJNAYRXSA-N 0 3 443.618 0.579 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001502245241 1070397973 /nfs/dbraw/zinc/39/79/73/1070397973.db2.gz QZESBAFVFKQVFN-OWCLPIDISA-N 0 3 443.618 0.579 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001502245242 1070397738 /nfs/dbraw/zinc/39/77/38/1070397738.db2.gz QZESBAFVFKQVFN-PMPSAXMXSA-N 0 3 443.618 0.579 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001502246113 1070398019 /nfs/dbraw/zinc/39/80/19/1070398019.db2.gz WZLWJRWPGHKRLM-HRCADAONSA-N 0 3 438.602 0.783 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001502246114 1070398070 /nfs/dbraw/zinc/39/80/70/1070398070.db2.gz WZLWJRWPGHKRLM-JYJNAYRXSA-N 0 3 438.602 0.783 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)C[C@H]1C ZINC001502246115 1070397548 /nfs/dbraw/zinc/39/75/48/1070397548.db2.gz WZLWJRWPGHKRLM-OWCLPIDISA-N 0 3 438.602 0.783 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)C[C@H]1C ZINC001502246116 1070398729 /nfs/dbraw/zinc/39/87/29/1070398729.db2.gz WZLWJRWPGHKRLM-PMPSAXMXSA-N 0 3 438.602 0.783 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502254263 1070399030 /nfs/dbraw/zinc/39/90/30/1070399030.db2.gz WFQBEVYBWWTVAC-CVEARBPZSA-N 0 3 437.570 0.715 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502254264 1070399085 /nfs/dbraw/zinc/39/90/85/1070399085.db2.gz WFQBEVYBWWTVAC-HOTGVXAUSA-N 0 3 437.570 0.715 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502254265 1070398404 /nfs/dbraw/zinc/39/84/04/1070398404.db2.gz WFQBEVYBWWTVAC-HZPDHXFCSA-N 0 3 437.570 0.715 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502254266 1070398772 /nfs/dbraw/zinc/39/87/72/1070398772.db2.gz WFQBEVYBWWTVAC-JKSUJKDBSA-N 0 3 437.570 0.715 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001502254411 1070399240 /nfs/dbraw/zinc/39/92/40/1070399240.db2.gz XYEGENYIMRVQFE-CVEARBPZSA-N 0 3 436.586 0.983 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001502254412 1070398973 /nfs/dbraw/zinc/39/89/73/1070398973.db2.gz XYEGENYIMRVQFE-HOTGVXAUSA-N 0 3 436.586 0.983 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001502254413 1070398516 /nfs/dbraw/zinc/39/85/16/1070398516.db2.gz XYEGENYIMRVQFE-HZPDHXFCSA-N 0 3 436.586 0.983 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001502254414 1070398458 /nfs/dbraw/zinc/39/84/58/1070398458.db2.gz XYEGENYIMRVQFE-JKSUJKDBSA-N 0 3 436.586 0.983 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001502255655 1070398335 /nfs/dbraw/zinc/39/83/35/1070398335.db2.gz NNQVQNZZEBJRGY-ILXRZTDVSA-N 0 3 429.529 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001502255656 1070398679 /nfs/dbraw/zinc/39/86/79/1070398679.db2.gz NNQVQNZZEBJRGY-KKUMJFAQSA-N 0 3 429.529 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001502255657 1070399338 /nfs/dbraw/zinc/39/93/38/1070399338.db2.gz NNQVQNZZEBJRGY-QLFBSQMISA-N 0 3 429.529 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001502255658 1070400048 /nfs/dbraw/zinc/40/00/48/1070400048.db2.gz NNQVQNZZEBJRGY-SOUVJXGZSA-N 0 3 429.529 0.301 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001502281360 1070404034 /nfs/dbraw/zinc/40/40/34/1070404034.db2.gz GSBGLFCFPDVZQB-KRWDZBQOSA-N 0 3 432.573 0.895 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001502281361 1070404222 /nfs/dbraw/zinc/40/42/22/1070404222.db2.gz GSBGLFCFPDVZQB-QGZVFWFLSA-N 0 3 432.573 0.895 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502281778 1070404151 /nfs/dbraw/zinc/40/41/51/1070404151.db2.gz NFNGUQBGCXACJN-CVEARBPZSA-N 0 3 442.524 0.361 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502281779 1070404290 /nfs/dbraw/zinc/40/42/90/1070404290.db2.gz NFNGUQBGCXACJN-HOTGVXAUSA-N 0 3 442.524 0.361 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502281780 1070404239 /nfs/dbraw/zinc/40/42/39/1070404239.db2.gz NFNGUQBGCXACJN-HZPDHXFCSA-N 0 3 442.524 0.361 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502281781 1070403960 /nfs/dbraw/zinc/40/39/60/1070403960.db2.gz NFNGUQBGCXACJN-JKSUJKDBSA-N 0 3 442.524 0.361 20 0 ICADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001502291962 1070407748 /nfs/dbraw/zinc/40/77/48/1070407748.db2.gz JZDSGIMXAONQPN-INIZCTEOSA-N 0 3 441.602 0.372 20 0 ICADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001502291963 1070407581 /nfs/dbraw/zinc/40/75/81/1070407581.db2.gz JZDSGIMXAONQPN-MRXNPFEDSA-N 0 3 441.602 0.372 20 0 ICADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502292930 1070407663 /nfs/dbraw/zinc/40/76/63/1070407663.db2.gz ZOJFHURXRONRPG-DLBZAZTESA-N 0 3 433.557 0.340 20 0 ICADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502292931 1070407508 /nfs/dbraw/zinc/40/75/08/1070407508.db2.gz ZOJFHURXRONRPG-IAGOWNOFSA-N 0 3 433.557 0.340 20 0 ICADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502292932 1070407563 /nfs/dbraw/zinc/40/75/63/1070407563.db2.gz ZOJFHURXRONRPG-IRXDYDNUSA-N 0 3 433.557 0.340 20 0 ICADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502292933 1070407731 /nfs/dbraw/zinc/40/77/31/1070407731.db2.gz ZOJFHURXRONRPG-SJORKVTESA-N 0 3 433.557 0.340 20 0 ICADHN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1=O ZINC001502305766 1070410810 /nfs/dbraw/zinc/41/08/10/1070410810.db2.gz CXNMFWZJTTWNDK-INIZCTEOSA-N 0 3 440.614 0.827 20 0 ICADHN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1=O ZINC001502305767 1070410626 /nfs/dbraw/zinc/41/06/26/1070410626.db2.gz CXNMFWZJTTWNDK-MRXNPFEDSA-N 0 3 440.614 0.827 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309342 1070412337 /nfs/dbraw/zinc/41/23/37/1070412337.db2.gz CEYMFEJGZVZKIP-CADBVGFASA-N 0 3 438.573 0.590 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309343 1070412508 /nfs/dbraw/zinc/41/25/08/1070412508.db2.gz CEYMFEJGZVZKIP-HCXYKTFWSA-N 0 3 438.573 0.590 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309344 1070413305 /nfs/dbraw/zinc/41/33/05/1070413305.db2.gz CEYMFEJGZVZKIP-MKXGPGLRSA-N 0 3 438.573 0.590 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502309345 1070413225 /nfs/dbraw/zinc/41/32/25/1070413225.db2.gz CEYMFEJGZVZKIP-ZSYWTGECSA-N 0 3 438.573 0.590 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC001502309355 1070413193 /nfs/dbraw/zinc/41/31/93/1070413193.db2.gz CMAMJJJNDCQBNR-GOSISDBHSA-N 0 3 435.617 0.982 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC(C(=O)NCCCOC)CC2)CC1 ZINC001502309356 1070413237 /nfs/dbraw/zinc/41/32/37/1070413237.db2.gz CMAMJJJNDCQBNR-SFHVURJKSA-N 0 3 435.617 0.982 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309774 1070413324 /nfs/dbraw/zinc/41/33/24/1070413324.db2.gz MOLMHTSPZAXPKF-DLBZAZTESA-N 0 3 425.603 0.681 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309775 1070413216 /nfs/dbraw/zinc/41/32/16/1070413216.db2.gz MOLMHTSPZAXPKF-IAGOWNOFSA-N 0 3 425.603 0.681 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309776 1070413160 /nfs/dbraw/zinc/41/31/60/1070413160.db2.gz MOLMHTSPZAXPKF-IRXDYDNUSA-N 0 3 425.603 0.681 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=CCC2)CC1 ZINC001502309777 1070413268 /nfs/dbraw/zinc/41/32/68/1070413268.db2.gz MOLMHTSPZAXPKF-SJORKVTESA-N 0 3 425.603 0.681 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502309825 1070413171 /nfs/dbraw/zinc/41/31/71/1070413171.db2.gz NOGXYXVWCOMQDG-INIZCTEOSA-N 0 3 427.619 0.378 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502309826 1070413207 /nfs/dbraw/zinc/41/32/07/1070413207.db2.gz NOGXYXVWCOMQDG-MRXNPFEDSA-N 0 3 427.619 0.378 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502311165 1070414240 /nfs/dbraw/zinc/41/42/40/1070414240.db2.gz NVUFIEWCLULSCY-GOSISDBHSA-N 0 3 434.589 0.187 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502311166 1070414141 /nfs/dbraw/zinc/41/41/41/1070414141.db2.gz NVUFIEWCLULSCY-SFHVURJKSA-N 0 3 434.589 0.187 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311503 1070414261 /nfs/dbraw/zinc/41/42/61/1070414261.db2.gz UGJPRVKSDBCQMA-HKUYNNGSSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311504 1070414313 /nfs/dbraw/zinc/41/43/13/1070414313.db2.gz UGJPRVKSDBCQMA-IEBWSBKVSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311505 1070414071 /nfs/dbraw/zinc/41/40/71/1070414071.db2.gz UGJPRVKSDBCQMA-MJGOQNOKSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502311506 1070414025 /nfs/dbraw/zinc/41/40/25/1070414025.db2.gz UGJPRVKSDBCQMA-PKOBYXMFSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311857 1070414155 /nfs/dbraw/zinc/41/41/55/1070414155.db2.gz AJDHGONPMRVEML-MSOLQXFVSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311858 1070414103 /nfs/dbraw/zinc/41/41/03/1070414103.db2.gz AJDHGONPMRVEML-QZTJIDSGSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311859 1070414296 /nfs/dbraw/zinc/41/42/96/1070414296.db2.gz AJDHGONPMRVEML-ROUUACIJSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311860 1070414054 /nfs/dbraw/zinc/41/40/54/1070414054.db2.gz AJDHGONPMRVEML-ZWKOTPCHSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311991 1070414366 /nfs/dbraw/zinc/41/43/66/1070414366.db2.gz CMHQGVPPWMDQEN-FGTMMUONSA-N 0 3 446.600 0.218 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311992 1070414180 /nfs/dbraw/zinc/41/41/80/1070414180.db2.gz CMHQGVPPWMDQEN-KURKYZTESA-N 0 3 446.600 0.218 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502311993 1070415345 /nfs/dbraw/zinc/41/53/45/1070415345.db2.gz CMHQGVPPWMDQEN-KZNAEPCWSA-N 0 3 446.600 0.218 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502311994 1070415312 /nfs/dbraw/zinc/41/53/12/1070415312.db2.gz CMHQGVPPWMDQEN-SQNIBIBYSA-N 0 3 446.600 0.218 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312007 1070415256 /nfs/dbraw/zinc/41/52/56/1070415256.db2.gz CYLPUXAXMQLDQX-FGTMMUONSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312008 1070415192 /nfs/dbraw/zinc/41/51/92/1070415192.db2.gz CYLPUXAXMQLDQX-KURKYZTESA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312009 1070415328 /nfs/dbraw/zinc/41/53/28/1070415328.db2.gz CYLPUXAXMQLDQX-KZNAEPCWSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312010 1070415293 /nfs/dbraw/zinc/41/52/93/1070415293.db2.gz CYLPUXAXMQLDQX-SQNIBIBYSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502312099 1070415217 /nfs/dbraw/zinc/41/52/17/1070415217.db2.gz GAPOLUSUMGKPNZ-MSOLQXFVSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502312100 1070415237 /nfs/dbraw/zinc/41/52/37/1070415237.db2.gz GAPOLUSUMGKPNZ-QZTJIDSGSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502312101 1070415096 /nfs/dbraw/zinc/41/50/96/1070415096.db2.gz GAPOLUSUMGKPNZ-ROUUACIJSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502312102 1070415148 /nfs/dbraw/zinc/41/51/48/1070415148.db2.gz GAPOLUSUMGKPNZ-ZWKOTPCHSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502312349 1070415175 /nfs/dbraw/zinc/41/51/75/1070415175.db2.gz KLSKBZQIAOEDDP-HTAPYJJXSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502312350 1070415129 /nfs/dbraw/zinc/41/51/29/1070415129.db2.gz KLSKBZQIAOEDDP-JTSKRJEESA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502312351 1070415361 /nfs/dbraw/zinc/41/53/61/1070415361.db2.gz KLSKBZQIAOEDDP-VGOFRKELSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502312352 1070415278 /nfs/dbraw/zinc/41/52/78/1070415278.db2.gz KLSKBZQIAOEDDP-VGSWGCGISA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312371 1070415164 /nfs/dbraw/zinc/41/51/64/1070415164.db2.gz KUDHBUQFXDIYNR-MSOLQXFVSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312372 1070415070 /nfs/dbraw/zinc/41/50/70/1070415070.db2.gz KUDHBUQFXDIYNR-QZTJIDSGSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312373 1070416183 /nfs/dbraw/zinc/41/61/83/1070416183.db2.gz KUDHBUQFXDIYNR-ROUUACIJSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312374 1070416097 /nfs/dbraw/zinc/41/60/97/1070416097.db2.gz KUDHBUQFXDIYNR-ZWKOTPCHSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502312473 1070416278 /nfs/dbraw/zinc/41/62/78/1070416278.db2.gz MXZDCFPITIQBFW-MSOLQXFVSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502312474 1070416291 /nfs/dbraw/zinc/41/62/91/1070416291.db2.gz MXZDCFPITIQBFW-QZTJIDSGSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502312475 1070416124 /nfs/dbraw/zinc/41/61/24/1070416124.db2.gz MXZDCFPITIQBFW-ROUUACIJSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502312476 1070416052 /nfs/dbraw/zinc/41/60/52/1070416052.db2.gz MXZDCFPITIQBFW-ZWKOTPCHSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502312669 1070416337 /nfs/dbraw/zinc/41/63/37/1070416337.db2.gz PZJXIXSEBAFFJX-DLBZAZTESA-N 0 3 429.573 0.579 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502312670 1070416307 /nfs/dbraw/zinc/41/63/07/1070416307.db2.gz PZJXIXSEBAFFJX-IAGOWNOFSA-N 0 3 429.573 0.579 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502312671 1070416142 /nfs/dbraw/zinc/41/61/42/1070416142.db2.gz PZJXIXSEBAFFJX-IRXDYDNUSA-N 0 3 429.573 0.579 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502312672 1070416036 /nfs/dbraw/zinc/41/60/36/1070416036.db2.gz PZJXIXSEBAFFJX-SJORKVTESA-N 0 3 429.573 0.579 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502312769 1070416243 /nfs/dbraw/zinc/41/62/43/1070416243.db2.gz SBRYHGSPIYVJJV-GOSISDBHSA-N 0 3 432.617 0.392 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502312770 1070416258 /nfs/dbraw/zinc/41/62/58/1070416258.db2.gz SBRYHGSPIYVJJV-SFHVURJKSA-N 0 3 432.617 0.392 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312819 1070416087 /nfs/dbraw/zinc/41/60/87/1070416087.db2.gz SUNPZFMFIWQBAH-MSOLQXFVSA-N 0 3 441.584 0.853 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312820 1070416216 /nfs/dbraw/zinc/41/62/16/1070416216.db2.gz SUNPZFMFIWQBAH-QZTJIDSGSA-N 0 3 441.584 0.853 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502312821 1070416069 /nfs/dbraw/zinc/41/60/69/1070416069.db2.gz SUNPZFMFIWQBAH-ROUUACIJSA-N 0 3 441.584 0.853 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502312822 1070416164 /nfs/dbraw/zinc/41/61/64/1070416164.db2.gz SUNPZFMFIWQBAH-ZWKOTPCHSA-N 0 3 441.584 0.853 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502313011 1070416230 /nfs/dbraw/zinc/41/62/30/1070416230.db2.gz WNQOAYBDFJYATN-HKUYNNGSSA-N 0 3 444.584 0.261 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502313012 1070416317 /nfs/dbraw/zinc/41/63/17/1070416317.db2.gz WNQOAYBDFJYATN-IEBWSBKVSA-N 0 3 444.584 0.261 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502313013 1070417379 /nfs/dbraw/zinc/41/73/79/1070417379.db2.gz WNQOAYBDFJYATN-MJGOQNOKSA-N 0 3 444.584 0.261 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502313014 1070417268 /nfs/dbraw/zinc/41/72/68/1070417268.db2.gz WNQOAYBDFJYATN-PKOBYXMFSA-N 0 3 444.584 0.261 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001502313201 1070417042 /nfs/dbraw/zinc/41/70/42/1070417042.db2.gz ZWIFQGODTHUTQZ-KRWDZBQOSA-N 0 3 429.573 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001502313202 1070417088 /nfs/dbraw/zinc/41/70/88/1070417088.db2.gz ZWIFQGODTHUTQZ-QGZVFWFLSA-N 0 3 429.573 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502313471 1070417186 /nfs/dbraw/zinc/41/71/86/1070417186.db2.gz FEHGTOFOWXBZQD-FGSXEWAUSA-N 0 3 433.601 0.770 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502313472 1070417339 /nfs/dbraw/zinc/41/73/39/1070417339.db2.gz FEHGTOFOWXBZQD-HMFYCAOWSA-N 0 3 433.601 0.770 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502313473 1070417116 /nfs/dbraw/zinc/41/71/16/1070417116.db2.gz FEHGTOFOWXBZQD-JBYIUTFZSA-N 0 3 433.601 0.770 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502313474 1070417063 /nfs/dbraw/zinc/41/70/63/1070417063.db2.gz FEHGTOFOWXBZQD-KGVIQGDOSA-N 0 3 433.601 0.770 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313495 1070417204 /nfs/dbraw/zinc/41/72/04/1070417204.db2.gz FRNKNTMMSFWBTK-CEXWTWQISA-N 0 3 433.601 0.900 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313496 1070417321 /nfs/dbraw/zinc/41/73/21/1070417321.db2.gz FRNKNTMMSFWBTK-FHWLQOOXSA-N 0 3 433.601 0.900 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313497 1070417143 /nfs/dbraw/zinc/41/71/43/1070417143.db2.gz FRNKNTMMSFWBTK-GBESFXJTSA-N 0 3 433.601 0.900 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502313498 1070417234 /nfs/dbraw/zinc/41/72/34/1070417234.db2.gz FRNKNTMMSFWBTK-QYZOEREBSA-N 0 3 433.601 0.900 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCNC(=O)C2)CC1 ZINC001502313581 1070417172 /nfs/dbraw/zinc/41/71/72/1070417172.db2.gz HDJSWGLBTUAEJN-GOSISDBHSA-N 0 3 441.580 0.840 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCNC(=O)C2)CC1 ZINC001502313582 1070417293 /nfs/dbraw/zinc/41/72/93/1070417293.db2.gz HDJSWGLBTUAEJN-SFHVURJKSA-N 0 3 441.580 0.840 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502313921 1070418135 /nfs/dbraw/zinc/41/81/35/1070418135.db2.gz MRCUCBTVIZJJII-HOJAQTOUSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502313922 1070418082 /nfs/dbraw/zinc/41/80/82/1070418082.db2.gz MRCUCBTVIZJJII-MISYRCLQSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502313923 1070417971 /nfs/dbraw/zinc/41/79/71/1070417971.db2.gz MRCUCBTVIZJJII-RLLQIKCJSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502313924 1070417926 /nfs/dbraw/zinc/41/79/26/1070417926.db2.gz MRCUCBTVIZJJII-YZGWKJHDSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314085 1070417904 /nfs/dbraw/zinc/41/79/04/1070417904.db2.gz PGQHKWXBDPLFIL-MSOLQXFVSA-N 0 3 434.589 0.269 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314086 1070418046 /nfs/dbraw/zinc/41/80/46/1070418046.db2.gz PGQHKWXBDPLFIL-QZTJIDSGSA-N 0 3 434.589 0.269 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314087 1070418172 /nfs/dbraw/zinc/41/81/72/1070418172.db2.gz PGQHKWXBDPLFIL-ROUUACIJSA-N 0 3 434.589 0.269 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502314088 1070418009 /nfs/dbraw/zinc/41/80/09/1070418009.db2.gz PGQHKWXBDPLFIL-ZWKOTPCHSA-N 0 3 434.589 0.269 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314115 1070418068 /nfs/dbraw/zinc/41/80/68/1070418068.db2.gz PYVDTFYNKQXHDD-AZUAARDMSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314116 1070417996 /nfs/dbraw/zinc/41/79/96/1070417996.db2.gz PYVDTFYNKQXHDD-ICSRJNTNSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314117 1070418096 /nfs/dbraw/zinc/41/80/96/1070418096.db2.gz PYVDTFYNKQXHDD-QUCCMNQESA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502314118 1070418028 /nfs/dbraw/zinc/41/80/28/1070418028.db2.gz PYVDTFYNKQXHDD-UYAOXDASSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314177 1070418158 /nfs/dbraw/zinc/41/81/58/1070418158.db2.gz QRHLXUDUPOUIFC-HKUYNNGSSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314178 1070417947 /nfs/dbraw/zinc/41/79/47/1070417947.db2.gz QRHLXUDUPOUIFC-IEBWSBKVSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314179 1070418112 /nfs/dbraw/zinc/41/81/12/1070418112.db2.gz QRHLXUDUPOUIFC-MJGOQNOKSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314180 1070418198 /nfs/dbraw/zinc/41/81/98/1070418198.db2.gz QRHLXUDUPOUIFC-PKOBYXMFSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502314809 1070418183 /nfs/dbraw/zinc/41/81/83/1070418183.db2.gz BLLVRWQXMCSXAW-MOPGFXCFSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502314810 1070418148 /nfs/dbraw/zinc/41/81/48/1070418148.db2.gz BLLVRWQXMCSXAW-OALUTQOASA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502314811 1070418932 /nfs/dbraw/zinc/41/89/32/1070418932.db2.gz BLLVRWQXMCSXAW-RBUKOAKNSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502314812 1070418996 /nfs/dbraw/zinc/41/89/96/1070418996.db2.gz BLLVRWQXMCSXAW-RTBURBONSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314855 1070419054 /nfs/dbraw/zinc/41/90/54/1070419054.db2.gz CGKIELMPXMYLLD-AZUAARDMSA-N 0 3 447.628 0.988 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314856 1070419225 /nfs/dbraw/zinc/41/92/25/1070419225.db2.gz CGKIELMPXMYLLD-ICSRJNTNSA-N 0 3 447.628 0.988 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314857 1070418964 /nfs/dbraw/zinc/41/89/64/1070418964.db2.gz CGKIELMPXMYLLD-QUCCMNQESA-N 0 3 447.628 0.988 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314858 1070419028 /nfs/dbraw/zinc/41/90/28/1070419028.db2.gz CGKIELMPXMYLLD-UYAOXDASSA-N 0 3 447.628 0.988 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502314939 1070419021 /nfs/dbraw/zinc/41/90/21/1070419021.db2.gz DNUHVCJFPBIMDC-MSOLQXFVSA-N 0 3 428.585 0.990 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502314940 1070418948 /nfs/dbraw/zinc/41/89/48/1070418948.db2.gz DNUHVCJFPBIMDC-QZTJIDSGSA-N 0 3 428.585 0.990 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502314941 1070419044 /nfs/dbraw/zinc/41/90/44/1070419044.db2.gz DNUHVCJFPBIMDC-ROUUACIJSA-N 0 3 428.585 0.990 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502314942 1070419167 /nfs/dbraw/zinc/41/91/67/1070419167.db2.gz DNUHVCJFPBIMDC-ZWKOTPCHSA-N 0 3 428.585 0.990 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502314993 1070419085 /nfs/dbraw/zinc/41/90/85/1070419085.db2.gz FDVWCJMOVPYHMY-KRWDZBQOSA-N 0 3 433.601 0.727 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502314994 1070419196 /nfs/dbraw/zinc/41/91/96/1070419196.db2.gz FDVWCJMOVPYHMY-QGZVFWFLSA-N 0 3 433.601 0.727 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315181 1070418910 /nfs/dbraw/zinc/41/89/10/1070418910.db2.gz ILKXRXSOWIKDHT-FXAWDEMLSA-N 0 3 433.601 0.598 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315182 1070418981 /nfs/dbraw/zinc/41/89/81/1070418981.db2.gz ILKXRXSOWIKDHT-PXNSSMCTSA-N 0 3 433.601 0.598 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315183 1070419254 /nfs/dbraw/zinc/41/92/54/1070419254.db2.gz ILKXRXSOWIKDHT-XLIONFOSSA-N 0 3 433.601 0.598 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315184 1070419063 /nfs/dbraw/zinc/41/90/63/1070419063.db2.gz ILKXRXSOWIKDHT-YLJYHZDGSA-N 0 3 433.601 0.598 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315297 1070419034 /nfs/dbraw/zinc/41/90/34/1070419034.db2.gz KUQYXVBKVMLVCM-MSOLQXFVSA-N 0 3 446.600 0.128 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315298 1070419011 /nfs/dbraw/zinc/41/90/11/1070419011.db2.gz KUQYXVBKVMLVCM-QZTJIDSGSA-N 0 3 446.600 0.128 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315299 1070419134 /nfs/dbraw/zinc/41/91/34/1070419134.db2.gz KUQYXVBKVMLVCM-ROUUACIJSA-N 0 3 446.600 0.128 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315300 1070419109 /nfs/dbraw/zinc/41/91/09/1070419109.db2.gz KUQYXVBKVMLVCM-ZWKOTPCHSA-N 0 3 446.600 0.128 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315403 1070420272 /nfs/dbraw/zinc/42/02/72/1070420272.db2.gz NGTGPXZFFSXNKB-ICSRJNTNSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502315404 1070420298 /nfs/dbraw/zinc/42/02/98/1070420298.db2.gz NGTGPXZFFSXNKB-QUCCMNQESA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502315873 1070420133 /nfs/dbraw/zinc/42/01/33/1070420133.db2.gz VXXGGMCBAVZNOC-MOPGFXCFSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315874 1070420112 /nfs/dbraw/zinc/42/01/12/1070420112.db2.gz VXXGGMCBAVZNOC-OALUTQOASA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315875 1070420319 /nfs/dbraw/zinc/42/03/19/1070420319.db2.gz VXXGGMCBAVZNOC-RBUKOAKNSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502315876 1070420229 /nfs/dbraw/zinc/42/02/29/1070420229.db2.gz VXXGGMCBAVZNOC-RTBURBONSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315979 1070420098 /nfs/dbraw/zinc/42/00/98/1070420098.db2.gz XJXDAKSIFIKWNV-IBGZPJMESA-N 0 3 440.596 0.958 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502315980 1070420051 /nfs/dbraw/zinc/42/00/51/1070420051.db2.gz XJXDAKSIFIKWNV-LJQANCHMSA-N 0 3 440.596 0.958 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502316089 1070420027 /nfs/dbraw/zinc/42/00/27/1070420027.db2.gz ZFDFORJGBBZRMH-HKUYNNGSSA-N 0 3 426.569 0.602 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502316090 1070419997 /nfs/dbraw/zinc/41/99/97/1070419997.db2.gz ZFDFORJGBBZRMH-IEBWSBKVSA-N 0 3 426.569 0.602 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502316091 1070420255 /nfs/dbraw/zinc/42/02/55/1070420255.db2.gz ZFDFORJGBBZRMH-MJGOQNOKSA-N 0 3 426.569 0.602 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502316092 1070420337 /nfs/dbraw/zinc/42/03/37/1070420337.db2.gz ZFDFORJGBBZRMH-PKOBYXMFSA-N 0 3 426.569 0.602 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502316448 1070420153 /nfs/dbraw/zinc/42/01/53/1070420153.db2.gz JGOTUUMVOSFHMP-BJLQDIEVSA-N 0 3 449.600 0.307 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502316449 1070420065 /nfs/dbraw/zinc/42/00/65/1070420065.db2.gz JGOTUUMVOSFHMP-HBFSDRIKSA-N 0 3 449.600 0.307 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(N3CCNC(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502316593 1070420167 /nfs/dbraw/zinc/42/01/67/1070420167.db2.gz MODVDSYKHVCKLW-AVRDEDQJSA-N 0 3 449.600 0.281 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(N3CCNC(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502316594 1070420205 /nfs/dbraw/zinc/42/02/05/1070420205.db2.gz MODVDSYKHVCKLW-GCJKJVERSA-N 0 3 449.600 0.281 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(N3CCNC(=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502316595 1070419985 /nfs/dbraw/zinc/41/99/85/1070419985.db2.gz MODVDSYKHVCKLW-PGRDOPGGSA-N 0 3 449.600 0.281 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(N3CCNC(=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502316596 1070420081 /nfs/dbraw/zinc/42/00/81/1070420081.db2.gz MODVDSYKHVCKLW-XMSQKQJNSA-N 0 3 449.600 0.281 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(N3CCN(C(=O)COC)CC3)nnc2C(C)(C)C)CC1 ZINC001502317009 1070420008 /nfs/dbraw/zinc/42/00/08/1070420008.db2.gz XEYLEDIBHQTUQI-GOSISDBHSA-N 0 3 435.617 0.897 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(N3CCN(C(=O)COC)CC3)nnc2C(C)(C)C)CC1 ZINC001502317010 1070421276 /nfs/dbraw/zinc/42/12/76/1070421276.db2.gz XEYLEDIBHQTUQI-SFHVURJKSA-N 0 3 435.617 0.897 20 0 ICADHN CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@H]1C ZINC001502319681 1070420967 /nfs/dbraw/zinc/42/09/67/1070420967.db2.gz TUIJCEAVDOYRLO-CVEARBPZSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@@H]1C ZINC001502319682 1070421012 /nfs/dbraw/zinc/42/10/12/1070421012.db2.gz TUIJCEAVDOYRLO-HOTGVXAUSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@H]1C ZINC001502319683 1070421393 /nfs/dbraw/zinc/42/13/93/1070421393.db2.gz TUIJCEAVDOYRLO-HZPDHXFCSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)C[C@@H]1C ZINC001502319684 1070421356 /nfs/dbraw/zinc/42/13/56/1070421356.db2.gz TUIJCEAVDOYRLO-JKSUJKDBSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccn4)n3CCOCCCO)C2)CC1 ZINC001502334375 1070426106 /nfs/dbraw/zinc/42/61/06/1070426106.db2.gz HHOMMIFHKPGXOQ-IBGZPJMESA-N 0 3 429.569 0.955 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccn4)n3CCOCCCO)C2)CC1 ZINC001502334376 1070426024 /nfs/dbraw/zinc/42/60/24/1070426024.db2.gz HHOMMIFHKPGXOQ-LJQANCHMSA-N 0 3 429.569 0.955 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccnc4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001502334777 1070426123 /nfs/dbraw/zinc/42/61/23/1070426123.db2.gz QLHJOBCHQYMSKY-GOSISDBHSA-N 0 3 448.597 0.106 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccnc4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001502334778 1070425871 /nfs/dbraw/zinc/42/58/71/1070425871.db2.gz QLHJOBCHQYMSKY-SFHVURJKSA-N 0 3 448.597 0.106 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502334844 1070426009 /nfs/dbraw/zinc/42/60/09/1070426009.db2.gz SUCLCECCOPISBC-IBGZPJMESA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502334845 1070425894 /nfs/dbraw/zinc/42/58/94/1070425894.db2.gz SUCLCECCOPISBC-LJQANCHMSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502334854 1070426054 /nfs/dbraw/zinc/42/60/54/1070426054.db2.gz TXLPGBGNXIHTHT-GOSISDBHSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502334855 1070425981 /nfs/dbraw/zinc/42/59/81/1070425981.db2.gz TXLPGBGNXIHTHT-SFHVURJKSA-N 0 3 443.600 0.667 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502335097 1070425907 /nfs/dbraw/zinc/42/59/07/1070425907.db2.gz ADOLHRMBHWCACW-GOSISDBHSA-N 0 3 441.646 0.632 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502335098 1070426135 /nfs/dbraw/zinc/42/61/35/1070426135.db2.gz ADOLHRMBHWCACW-SFHVURJKSA-N 0 3 441.646 0.632 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCOCC3)C2)CC1 ZINC001502335739 1070425937 /nfs/dbraw/zinc/42/59/37/1070425937.db2.gz PFERWAJOLWNSKZ-FQEVSTJZSA-N 0 3 447.628 0.942 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCOCC3)C2)CC1 ZINC001502335740 1070427005 /nfs/dbraw/zinc/42/70/05/1070427005.db2.gz PFERWAJOLWNSKZ-HXUWFJFHSA-N 0 3 447.628 0.942 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502336307 1070426963 /nfs/dbraw/zinc/42/69/63/1070426963.db2.gz XRDOVPITXSLCHR-GOSISDBHSA-N 0 3 441.646 0.632 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502336308 1070426800 /nfs/dbraw/zinc/42/68/00/1070426800.db2.gz XRDOVPITXSLCHR-SFHVURJKSA-N 0 3 441.646 0.632 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502337277 1070426979 /nfs/dbraw/zinc/42/69/79/1070426979.db2.gz FNJVJJMVPCHKQH-MSOLQXFVSA-N 0 3 448.616 0.392 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502337278 1070426851 /nfs/dbraw/zinc/42/68/51/1070426851.db2.gz FNJVJJMVPCHKQH-ROUUACIJSA-N 0 3 448.616 0.392 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502337358 1070427039 /nfs/dbraw/zinc/42/70/39/1070427039.db2.gz HCVVDQLIRMKVLY-MSOLQXFVSA-N 0 3 446.600 0.099 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502337359 1070426902 /nfs/dbraw/zinc/42/69/02/1070426902.db2.gz HCVVDQLIRMKVLY-QZTJIDSGSA-N 0 3 446.600 0.099 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502337360 1070427055 /nfs/dbraw/zinc/42/70/55/1070427055.db2.gz HCVVDQLIRMKVLY-ROUUACIJSA-N 0 3 446.600 0.099 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502337361 1070426924 /nfs/dbraw/zinc/42/69/24/1070426924.db2.gz HCVVDQLIRMKVLY-ZWKOTPCHSA-N 0 3 446.600 0.099 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502337830 1070427720 /nfs/dbraw/zinc/42/77/20/1070427720.db2.gz OWCMOOBMOJWXGK-FQEVSTJZSA-N 0 3 446.644 0.605 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001502337831 1070427836 /nfs/dbraw/zinc/42/78/36/1070427836.db2.gz OWCMOOBMOJWXGK-HXUWFJFHSA-N 0 3 446.644 0.605 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337851 1070427816 /nfs/dbraw/zinc/42/78/16/1070427816.db2.gz PBGLBQCVGNSKGZ-KRWDZBQOSA-N 0 3 429.573 0.447 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337852 1070427849 /nfs/dbraw/zinc/42/78/49/1070427849.db2.gz PBGLBQCVGNSKGZ-QGZVFWFLSA-N 0 3 429.573 0.447 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502338519 1070427736 /nfs/dbraw/zinc/42/77/36/1070427736.db2.gz WZEFRLPRNCRYJR-KRWDZBQOSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502338520 1070427694 /nfs/dbraw/zinc/42/76/94/1070427694.db2.gz WZEFRLPRNCRYJR-QGZVFWFLSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338539 1070427658 /nfs/dbraw/zinc/42/76/58/1070427658.db2.gz XAJHDBBORWOHTG-HKUYNNGSSA-N 0 3 441.646 0.626 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338542 1070427806 /nfs/dbraw/zinc/42/78/06/1070427806.db2.gz XAJHDBBORWOHTG-IEBWSBKVSA-N 0 3 441.646 0.626 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338543 1070427582 /nfs/dbraw/zinc/42/75/82/1070427582.db2.gz XAJHDBBORWOHTG-MJGOQNOKSA-N 0 3 441.646 0.626 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502338544 1070427628 /nfs/dbraw/zinc/42/76/28/1070427628.db2.gz XAJHDBBORWOHTG-PKOBYXMFSA-N 0 3 441.646 0.626 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342709 1070428746 /nfs/dbraw/zinc/42/87/46/1070428746.db2.gz CMAJCFWADHTZJB-MANSERQUSA-N 0 3 433.601 0.710 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342710 1070428824 /nfs/dbraw/zinc/42/88/24/1070428824.db2.gz CMAJCFWADHTZJB-MKXGPGLRSA-N 0 3 433.601 0.710 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342711 1070428573 /nfs/dbraw/zinc/42/85/73/1070428573.db2.gz CMAJCFWADHTZJB-RDGPPVDQSA-N 0 3 433.601 0.710 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502342712 1070428646 /nfs/dbraw/zinc/42/86/46/1070428646.db2.gz CMAJCFWADHTZJB-YRXWBPOGSA-N 0 3 433.601 0.710 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001502343395 1070428730 /nfs/dbraw/zinc/42/87/30/1070428730.db2.gz OIROTCZSSIBTPZ-FHWLQOOXSA-N 0 3 449.600 0.354 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001502343396 1070428844 /nfs/dbraw/zinc/42/88/44/1070428844.db2.gz OIROTCZSSIBTPZ-GBESFXJTSA-N 0 3 449.600 0.354 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001502343397 1070428689 /nfs/dbraw/zinc/42/86/89/1070428689.db2.gz OIROTCZSSIBTPZ-IPMKNSEASA-N 0 3 449.600 0.354 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001502343398 1070428782 /nfs/dbraw/zinc/42/87/82/1070428782.db2.gz OIROTCZSSIBTPZ-OTWHNJEPSA-N 0 3 449.600 0.354 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343541 1070428910 /nfs/dbraw/zinc/42/89/10/1070428910.db2.gz PXWYETUYFUUJBE-FHWLQOOXSA-N 0 3 435.617 0.874 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343542 1070428802 /nfs/dbraw/zinc/42/88/02/1070428802.db2.gz PXWYETUYFUUJBE-GBESFXJTSA-N 0 3 435.617 0.874 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343543 1070428594 /nfs/dbraw/zinc/42/85/94/1070428594.db2.gz PXWYETUYFUUJBE-IPMKNSEASA-N 0 3 435.617 0.874 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343544 1070428627 /nfs/dbraw/zinc/42/86/27/1070428627.db2.gz PXWYETUYFUUJBE-OTWHNJEPSA-N 0 3 435.617 0.874 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502343645 1070428871 /nfs/dbraw/zinc/42/88/71/1070428871.db2.gz RUFNWVOOBQTKIM-FHWLQOOXSA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502343646 1070429657 /nfs/dbraw/zinc/42/96/57/1070429657.db2.gz RUFNWVOOBQTKIM-GBESFXJTSA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502343647 1070429869 /nfs/dbraw/zinc/42/98/69/1070429869.db2.gz RUFNWVOOBQTKIM-IPMKNSEASA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502343648 1070429639 /nfs/dbraw/zinc/42/96/39/1070429639.db2.gz RUFNWVOOBQTKIM-OTWHNJEPSA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)CC1 ZINC001502346166 1070429584 /nfs/dbraw/zinc/42/95/84/1070429584.db2.gz JIRSSDRYIOESSW-IBGZPJMESA-N 0 3 447.628 0.883 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CO)CC2)CC1 ZINC001502346167 1070429721 /nfs/dbraw/zinc/42/97/21/1070429721.db2.gz 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/nfs/dbraw/zinc/53/55/68/1070535568.db2.gz XKSBTLYSEASKHG-QGZVFWFLSA-N 0 3 435.573 0.472 20 0 ICADHN CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503101560 1070536904 /nfs/dbraw/zinc/53/69/04/1070536904.db2.gz WXOJQUUHHPMNJA-UHFFFAOYSA-N 0 3 429.587 0.675 20 0 ICADHN CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503107044 1070538423 /nfs/dbraw/zinc/53/84/23/1070538423.db2.gz GSLKOQLRWGMKKW-IBGZPJMESA-N 0 3 443.600 0.957 20 0 ICADHN CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503107045 1070538205 /nfs/dbraw/zinc/53/82/05/1070538205.db2.gz GSLKOQLRWGMKKW-LJQANCHMSA-N 0 3 443.600 0.957 20 0 ICADHN CCOCc1nnc(N2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503108381 1070539104 /nfs/dbraw/zinc/53/91/04/1070539104.db2.gz FXJCRLOKPKOZLW-IBGZPJMESA-N 0 3 443.600 0.957 20 0 ICADHN CCOCc1nnc(N2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503108383 1070538714 /nfs/dbraw/zinc/53/87/14/1070538714.db2.gz FXJCRLOKPKOZLW-LJQANCHMSA-N 0 3 443.600 0.957 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCC[C@@H]1NC(=O)NC1=O ZINC001503109420 1070539591 /nfs/dbraw/zinc/53/95/91/1070539591.db2.gz MCJMHICXPUEPMZ-RDJZCZTQSA-N 0 3 449.556 0.492 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001503109614 1070539406 /nfs/dbraw/zinc/53/94/06/1070539406.db2.gz MPQOVQJZQIISAM-UHFFFAOYSA-N 0 3 426.587 0.915 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCS(=O)(=O)N(C)C ZINC001503109630 1070539507 /nfs/dbraw/zinc/53/95/07/1070539507.db2.gz NEXKDCVWJVPCRN-INIZCTEOSA-N 0 3 444.602 0.396 20 0 ICADHN CCOCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCc1nnc(C)[nH]1 ZINC001503111668 1070540856 /nfs/dbraw/zinc/54/08/56/1070540856.db2.gz LNWLWKWGECEBEK-UHFFFAOYSA-N 0 3 445.572 0.618 20 0 ICADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001503114888 1070541643 /nfs/dbraw/zinc/54/16/43/1070541643.db2.gz AHWWJLHEUYNERI-PMACEKPBSA-N 0 3 436.601 0.941 20 0 ICADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001503114889 1070541477 /nfs/dbraw/zinc/54/14/77/1070541477.db2.gz AHWWJLHEUYNERI-UXHICEINSA-N 0 3 436.601 0.941 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503115669 1070542317 /nfs/dbraw/zinc/54/23/17/1070542317.db2.gz CGQZCCAJMYCIAQ-MSOLQXFVSA-N 0 3 435.573 0.729 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503115670 1070542342 /nfs/dbraw/zinc/54/23/42/1070542342.db2.gz CGQZCCAJMYCIAQ-QZTJIDSGSA-N 0 3 435.573 0.729 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503115671 1070542041 /nfs/dbraw/zinc/54/20/41/1070542041.db2.gz CGQZCCAJMYCIAQ-ROUUACIJSA-N 0 3 435.573 0.729 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503115672 1070542156 /nfs/dbraw/zinc/54/21/56/1070542156.db2.gz CGQZCCAJMYCIAQ-ZWKOTPCHSA-N 0 3 435.573 0.729 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503117019 1070542879 /nfs/dbraw/zinc/54/28/79/1070542879.db2.gz KTIRKZITBVRZBX-MOPGFXCFSA-N 0 3 433.601 0.899 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503117020 1070543639 /nfs/dbraw/zinc/54/36/39/1070543639.db2.gz KTIRKZITBVRZBX-OALUTQOASA-N 0 3 433.601 0.899 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001503117023 1070543440 /nfs/dbraw/zinc/54/34/40/1070543440.db2.gz KTIRKZITBVRZBX-RBUKOAKNSA-N 0 3 433.601 0.899 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001503117024 1070543491 /nfs/dbraw/zinc/54/34/91/1070543491.db2.gz KTIRKZITBVRZBX-RTBURBONSA-N 0 3 433.601 0.899 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503117166 1070543553 /nfs/dbraw/zinc/54/35/53/1070543553.db2.gz JYUKSTQZIROKKP-DYESRHJHSA-N 0 3 435.573 0.872 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503117172 1070543393 /nfs/dbraw/zinc/54/33/93/1070543393.db2.gz JYUKSTQZIROKKP-LAUBAEHRSA-N 0 3 435.573 0.872 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503117176 1070543668 /nfs/dbraw/zinc/54/36/68/1070543668.db2.gz JYUKSTQZIROKKP-UTKZUKDTSA-N 0 3 435.573 0.872 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503117180 1070543317 /nfs/dbraw/zinc/54/33/17/1070543317.db2.gz JYUKSTQZIROKKP-UWJYYQICSA-N 0 3 435.573 0.872 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001503118368 1070545145 /nfs/dbraw/zinc/54/51/45/1070545145.db2.gz VOOYCVVATBWTEP-MSOLQXFVSA-N 0 3 441.536 0.265 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](c1ccccc1)N(C)C ZINC001503118370 1070545274 /nfs/dbraw/zinc/54/52/74/1070545274.db2.gz VOOYCVVATBWTEP-QZTJIDSGSA-N 0 3 441.536 0.265 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001503118372 1070545206 /nfs/dbraw/zinc/54/52/06/1070545206.db2.gz VOOYCVVATBWTEP-ROUUACIJSA-N 0 3 441.536 0.265 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](c1ccccc1)N(C)C ZINC001503118374 1070545368 /nfs/dbraw/zinc/54/53/68/1070545368.db2.gz VOOYCVVATBWTEP-ZWKOTPCHSA-N 0 3 441.536 0.265 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503118516 1070545389 /nfs/dbraw/zinc/54/53/89/1070545389.db2.gz RCSYTKGNANBGFZ-MSOLQXFVSA-N 0 3 447.584 0.568 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503118519 1070545187 /nfs/dbraw/zinc/54/51/87/1070545187.db2.gz RCSYTKGNANBGFZ-QZTJIDSGSA-N 0 3 447.584 0.568 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001503118521 1070545092 /nfs/dbraw/zinc/54/50/92/1070545092.db2.gz RCSYTKGNANBGFZ-ROUUACIJSA-N 0 3 447.584 0.568 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001503118523 1070545344 /nfs/dbraw/zinc/54/53/44/1070545344.db2.gz RCSYTKGNANBGFZ-ZWKOTPCHSA-N 0 3 447.584 0.568 20 0 ICADHN CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001503131372 1070547813 /nfs/dbraw/zinc/54/78/13/1070547813.db2.gz UPXNJPIEHWKOTG-KSZLIROESA-N 0 3 435.573 0.775 20 0 ICADHN CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001503131373 1070548221 /nfs/dbraw/zinc/54/82/21/1070548221.db2.gz UPXNJPIEHWKOTG-KURKYZTESA-N 0 3 435.573 0.775 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc(-c2cnccn2)n1CC1(N(C)C)CCOCC1 ZINC001503249291 1070568225 /nfs/dbraw/zinc/56/82/25/1070568225.db2.gz OHOHDDLWDGBFOL-UHFFFAOYSA-N 0 3 437.570 0.717 20 0 ICADHN CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503255811 1070573448 /nfs/dbraw/zinc/57/34/48/1070573448.db2.gz FEIIDRQVXGMGFB-KRWDZBQOSA-N 0 3 449.581 0.451 20 0 ICADHN CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503255812 1070573342 /nfs/dbraw/zinc/57/33/42/1070573342.db2.gz FEIIDRQVXGMGFB-QGZVFWFLSA-N 0 3 449.581 0.451 20 0 ICADHN CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001503262959 1070577361 /nfs/dbraw/zinc/57/73/61/1070577361.db2.gz UKLNFPWXFSEBSC-INIZCTEOSA-N 0 3 440.614 0.753 20 0 ICADHN CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001503262960 1070577558 /nfs/dbraw/zinc/57/75/58/1070577558.db2.gz UKLNFPWXFSEBSC-MRXNPFEDSA-N 0 3 440.614 0.753 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001503276594 1070585378 /nfs/dbraw/zinc/58/53/78/1070585378.db2.gz CETZLEZZFWQDPZ-UHFFFAOYSA-N 0 3 429.591 0.134 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001503278776 1070588350 /nfs/dbraw/zinc/58/83/50/1070588350.db2.gz VZNYZIFPQZNQIT-UHFFFAOYSA-N 0 3 441.602 0.420 20 0 ICADHN CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503279421 1070588144 /nfs/dbraw/zinc/58/81/44/1070588144.db2.gz FEOQNCCIFAPUKE-UHFFFAOYSA-N 0 3 426.587 0.786 20 0 ICADHN CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)CC1 ZINC001503283656 1070593146 /nfs/dbraw/zinc/59/31/46/1070593146.db2.gz HRVJIVWWZFDBIW-UHFFFAOYSA-N 0 3 435.598 0.981 20 0 ICADHN CCS(=O)(=O)NCCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503285309 1070594672 /nfs/dbraw/zinc/59/46/72/1070594672.db2.gz HTKGZXAWFQBTOA-UHFFFAOYSA-N 0 3 428.603 0.816 20 0 ICADHN CCS(=O)(=O)NCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C ZINC001503285711 1070595359 /nfs/dbraw/zinc/59/53/59/1070595359.db2.gz NJEHPYCEUOKIMV-INIZCTEOSA-N 0 3 428.603 0.673 20 0 ICADHN CCS(=O)(=O)NCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1C(C)(C)C ZINC001503285713 1070595990 /nfs/dbraw/zinc/59/59/90/1070595990.db2.gz NJEHPYCEUOKIMV-MRXNPFEDSA-N 0 3 428.603 0.673 20 0 ICADHN CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 ZINC001503290483 1070598796 /nfs/dbraw/zinc/59/87/96/1070598796.db2.gz PXLJAKKQHOUNGP-KUNJGFBQSA-N 0 3 434.632 0.577 20 0 ICADHN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 ZINC001503290496 1070598564 /nfs/dbraw/zinc/59/85/64/1070598564.db2.gz PXLJAKKQHOUNGP-QZXCRCNTSA-N 0 3 434.632 0.577 20 0 ICADHN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 ZINC001503290497 1070599379 /nfs/dbraw/zinc/59/93/79/1070599379.db2.gz PXLJAKKQHOUNGP-RXAIFQJESA-N 0 3 434.632 0.577 20 0 ICADHN CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 ZINC001503290499 1070599270 /nfs/dbraw/zinc/59/92/70/1070599270.db2.gz PXLJAKKQHOUNGP-YVORESIASA-N 0 3 434.632 0.577 20 0 ICADHN CC[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503296441 1070601443 /nfs/dbraw/zinc/60/14/43/1070601443.db2.gz YATOVBSQELGCSF-HKBQPEDESA-N 0 3 446.581 0.248 20 0 ICADHN CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503296443 1070601218 /nfs/dbraw/zinc/60/12/18/1070601218.db2.gz YATOVBSQELGCSF-WJOKGBTCSA-N 0 3 446.581 0.248 20 0 ICADHN CC[S@](=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503314330 1070607040 /nfs/dbraw/zinc/60/70/40/1070607040.db2.gz QIJGORDWNPSIPC-HKBQPEDESA-N 0 3 447.609 0.797 20 0 ICADHN CC[S@@](=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503314331 1070607192 /nfs/dbraw/zinc/60/71/92/1070607192.db2.gz QIJGORDWNPSIPC-WJOKGBTCSA-N 0 3 447.609 0.797 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CCC(=O)N1 ZINC001503357899 1070609282 /nfs/dbraw/zinc/60/92/82/1070609282.db2.gz PFOPHYSYCPZULD-CVEARBPZSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCC(=O)N1 ZINC001503357901 1070609506 /nfs/dbraw/zinc/60/95/06/1070609506.db2.gz PFOPHYSYCPZULD-HOTGVXAUSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CCC(=O)N1 ZINC001503357902 1070609759 /nfs/dbraw/zinc/60/97/59/1070609759.db2.gz PFOPHYSYCPZULD-HZPDHXFCSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCC(=O)N1 ZINC001503357903 1070609423 /nfs/dbraw/zinc/60/94/23/1070609423.db2.gz PFOPHYSYCPZULD-JKSUJKDBSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2cnn(C)c2)nnc1C(=O)N1CCCC1 ZINC001503357931 1070609452 /nfs/dbraw/zinc/60/94/52/1070609452.db2.gz PSVPZPBILFFWGM-KRWDZBQOSA-N 0 3 443.556 0.934 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2cnn(C)c2)nnc1C(=O)N1CCCC1 ZINC001503357932 1070609331 /nfs/dbraw/zinc/60/93/31/1070609331.db2.gz PSVPZPBILFFWGM-QGZVFWFLSA-N 0 3 443.556 0.934 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCOC1 ZINC001503359863 1070609656 /nfs/dbraw/zinc/60/96/56/1070609656.db2.gz OGMPYTAJEOZFEZ-MSOLQXFVSA-N 0 3 447.584 0.682 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCOC1 ZINC001503359865 1070610461 /nfs/dbraw/zinc/61/04/61/1070610461.db2.gz OGMPYTAJEOZFEZ-QZTJIDSGSA-N 0 3 447.584 0.682 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCOC1 ZINC001503359869 1070610676 /nfs/dbraw/zinc/61/06/76/1070610676.db2.gz OGMPYTAJEOZFEZ-ROUUACIJSA-N 0 3 447.584 0.682 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCOC1 ZINC001503359872 1070610341 /nfs/dbraw/zinc/61/03/41/1070610341.db2.gz OGMPYTAJEOZFEZ-ZWKOTPCHSA-N 0 3 447.584 0.682 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)CC1 ZINC001503359917 1070610487 /nfs/dbraw/zinc/61/04/87/1070610487.db2.gz OQOCBYKKXKAQLB-MSOLQXFVSA-N 0 3 447.584 0.441 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)CC1 ZINC001503360041 1070610625 /nfs/dbraw/zinc/61/06/25/1070610625.db2.gz OQOCBYKKXKAQLB-QZTJIDSGSA-N 0 3 447.584 0.441 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)CC1 ZINC001503360047 1070610425 /nfs/dbraw/zinc/61/04/25/1070610425.db2.gz OQOCBYKKXKAQLB-ROUUACIJSA-N 0 3 447.584 0.441 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)CC1 ZINC001503360052 1070610651 /nfs/dbraw/zinc/61/06/51/1070610651.db2.gz OQOCBYKKXKAQLB-ZWKOTPCHSA-N 0 3 447.584 0.441 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCNC(=O)C1 ZINC001503360297 1070610528 /nfs/dbraw/zinc/61/05/28/1070610528.db2.gz PRTVDAPNPAAAEE-GOSISDBHSA-N 0 3 440.552 0.143 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccn2)nnc1N1CCNC(=O)C1 ZINC001503360307 1070610582 /nfs/dbraw/zinc/61/05/82/1070610582.db2.gz PRTVDAPNPAAAEE-SFHVURJKSA-N 0 3 440.552 0.143 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCOC1 ZINC001503361221 1070610607 /nfs/dbraw/zinc/61/06/07/1070610607.db2.gz TYDWFSZUQJUWIR-AEFFLSMTSA-N 0 3 428.541 0.903 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCOC1 ZINC001503361223 1070610389 /nfs/dbraw/zinc/61/03/89/1070610389.db2.gz TYDWFSZUQJUWIR-FUHWJXTLSA-N 0 3 428.541 0.903 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCOC1 ZINC001503361225 1070610543 /nfs/dbraw/zinc/61/05/43/1070610543.db2.gz TYDWFSZUQJUWIR-SJLPKXTDSA-N 0 3 428.541 0.903 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCOC1 ZINC001503361227 1070610438 /nfs/dbraw/zinc/61/04/38/1070610438.db2.gz TYDWFSZUQJUWIR-WMZOPIPTSA-N 0 3 428.541 0.903 20 0 ICADHN CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363116 1070612288 /nfs/dbraw/zinc/61/22/88/1070612288.db2.gz UXBFRTIOIPLIKB-GOSISDBHSA-N 0 3 447.584 0.395 20 0 ICADHN CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363117 1070612209 /nfs/dbraw/zinc/61/22/09/1070612209.db2.gz UXBFRTIOIPLIKB-SFHVURJKSA-N 0 3 447.584 0.395 20 0 ICADHN CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503363227 1070612272 /nfs/dbraw/zinc/61/22/72/1070612272.db2.gz FKGWQEGEDDFREC-KRWDZBQOSA-N 0 3 430.557 0.706 20 0 ICADHN CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503363229 1070612243 /nfs/dbraw/zinc/61/22/43/1070612243.db2.gz FKGWQEGEDDFREC-QGZVFWFLSA-N 0 3 430.557 0.706 20 0 ICADHN CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503365494 1070613654 /nfs/dbraw/zinc/61/36/54/1070613654.db2.gz JMGSSYTZZIHZLG-KRWDZBQOSA-N 0 3 433.557 0.151 20 0 ICADHN CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503365495 1070613516 /nfs/dbraw/zinc/61/35/16/1070613516.db2.gz JMGSSYTZZIHZLG-QGZVFWFLSA-N 0 3 433.557 0.151 20 0 ICADHN CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503368811 1070616667 /nfs/dbraw/zinc/61/66/67/1070616667.db2.gz RKCQOZBBDUHJMD-IBGZPJMESA-N 0 3 427.553 0.901 20 0 ICADHN CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503368814 1070616795 /nfs/dbraw/zinc/61/67/95/1070616795.db2.gz RKCQOZBBDUHJMD-LJQANCHMSA-N 0 3 427.553 0.901 20 0 ICADHN CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503374403 1070621193 /nfs/dbraw/zinc/62/11/93/1070621193.db2.gz NHPSACOJWAVIGY-KRWDZBQOSA-N 0 3 433.557 0.352 20 0 ICADHN CN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503374404 1070621186 /nfs/dbraw/zinc/62/11/86/1070621186.db2.gz NHPSACOJWAVIGY-QGZVFWFLSA-N 0 3 433.557 0.352 20 0 ICADHN CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503375195 1070622692 /nfs/dbraw/zinc/62/26/92/1070622692.db2.gz LREXGWAWCBHJDE-GOSISDBHSA-N 0 3 431.585 0.842 20 0 ICADHN CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503375197 1070622551 /nfs/dbraw/zinc/62/25/51/1070622551.db2.gz LREXGWAWCBHJDE-SFHVURJKSA-N 0 3 431.585 0.842 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503375495 1070623540 /nfs/dbraw/zinc/62/35/40/1070623540.db2.gz RDYPHJARCZJNSU-UHFFFAOYSA-N 0 3 427.553 0.901 20 0 ICADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382278 1070629191 /nfs/dbraw/zinc/62/91/91/1070629191.db2.gz OGFKAZRDNSYRDA-KRWDZBQOSA-N 0 3 429.500 0.779 20 0 ICADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382281 1070629000 /nfs/dbraw/zinc/62/90/00/1070629000.db2.gz OGFKAZRDNSYRDA-QGZVFWFLSA-N 0 3 429.500 0.779 20 0 ICADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC001503384336 1070628957 /nfs/dbraw/zinc/62/89/57/1070628957.db2.gz AYBQVLRXJYDOJZ-CVEARBPZSA-N 0 3 438.598 0.756 20 0 ICADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC001503384341 1070628939 /nfs/dbraw/zinc/62/89/39/1070628939.db2.gz AYBQVLRXJYDOJZ-HZPDHXFCSA-N 0 3 438.598 0.756 20 0 ICADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCNC(=O)C2)CCC1 ZINC001503387129 1070629831 /nfs/dbraw/zinc/62/98/31/1070629831.db2.gz NNSXJLORIJNHOG-UHFFFAOYSA-N 0 3 432.550 0.769 20 0 ICADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCC1 ZINC001503387228 1070630136 /nfs/dbraw/zinc/63/01/36/1070630136.db2.gz OXOHQUHYEUTOJX-BEFAXECRSA-N 0 3 438.598 0.756 20 0 ICADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCC1 ZINC001503387233 1070629913 /nfs/dbraw/zinc/62/99/13/1070629913.db2.gz OXOHQUHYEUTOJX-DNVCBOLYSA-N 0 3 438.598 0.756 20 0 ICADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCC1 ZINC001503387238 1070630065 /nfs/dbraw/zinc/63/00/65/1070630065.db2.gz OXOHQUHYEUTOJX-HNAYVOBHSA-N 0 3 438.598 0.756 20 0 ICADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCC1 ZINC001503387243 1070629965 /nfs/dbraw/zinc/62/99/65/1070629965.db2.gz OXOHQUHYEUTOJX-KXBFYZLASA-N 0 3 438.598 0.756 20 0 ICADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCCCC1 ZINC001503388329 1070630751 /nfs/dbraw/zinc/63/07/51/1070630751.db2.gz XSUFFYMPIALYME-INIZCTEOSA-N 0 3 438.598 0.771 20 0 ICADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCCCC1 ZINC001503388330 1070630719 /nfs/dbraw/zinc/63/07/19/1070630719.db2.gz XSUFFYMPIALYME-MRXNPFEDSA-N 0 3 438.598 0.771 20 0 ICADHN CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001503388433 1070630935 /nfs/dbraw/zinc/63/09/35/1070630935.db2.gz YZGJSXCXMKPSBN-PMACEKPBSA-N 0 3 435.598 0.653 20 0 ICADHN CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001503388434 1070630905 /nfs/dbraw/zinc/63/09/05/1070630905.db2.gz YZGJSXCXMKPSBN-UXHICEINSA-N 0 3 435.598 0.653 20 0 ICADHN CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001503388435 1070630839 /nfs/dbraw/zinc/63/08/39/1070630839.db2.gz YZGJSXCXMKPSBN-VQTJNVASSA-N 0 3 435.598 0.653 20 0 ICADHN CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001503388436 1070630776 /nfs/dbraw/zinc/63/07/76/1070630776.db2.gz YZGJSXCXMKPSBN-WOJBJXKFSA-N 0 3 435.598 0.653 20 0 ICADHN CN(C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)CCCCC1 ZINC001503389710 1070630786 /nfs/dbraw/zinc/63/07/86/1070630786.db2.gz LLJHYMUBVXEBHU-UHFFFAOYSA-N 0 3 438.598 0.900 20 0 ICADHN CN(C)CC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 ZINC001503396656 1070632965 /nfs/dbraw/zinc/63/29/65/1070632965.db2.gz MOGMMVQCIONAAQ-UHFFFAOYSA-N 0 3 438.554 0.828 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001503397870 1070632676 /nfs/dbraw/zinc/63/26/76/1070632676.db2.gz GVHOUGHWPNFPRA-INIZCTEOSA-N 0 3 440.614 0.860 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001503397873 1070633547 /nfs/dbraw/zinc/63/35/47/1070633547.db2.gz GVHOUGHWPNFPRA-MRXNPFEDSA-N 0 3 440.614 0.860 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001503399737 1070633866 /nfs/dbraw/zinc/63/38/66/1070633866.db2.gz PQCAXXFNFAJEEK-HNNXBMFYSA-N 0 3 438.598 0.579 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001503399742 1070633785 /nfs/dbraw/zinc/63/37/85/1070633785.db2.gz PQCAXXFNFAJEEK-OAHLLOKOSA-N 0 3 438.598 0.579 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503406563 1070639942 /nfs/dbraw/zinc/63/99/42/1070639942.db2.gz ANXHPZQFPJIGCH-KRWDZBQOSA-N 0 3 440.614 0.986 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503406570 1070639993 /nfs/dbraw/zinc/63/99/93/1070639993.db2.gz ANXHPZQFPJIGCH-QGZVFWFLSA-N 0 3 440.614 0.986 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCCC2)CC1 ZINC001503407184 1070640736 /nfs/dbraw/zinc/64/07/36/1070640736.db2.gz SMGFXBWZHQLXIL-UHFFFAOYSA-N 0 3 434.570 0.691 20 0 ICADHN CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503407442 1070641480 /nfs/dbraw/zinc/64/14/80/1070641480.db2.gz OCDJBDJEJZDSTH-DLBZAZTESA-N 0 3 442.586 0.180 20 0 ICADHN CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503407444 1070641722 /nfs/dbraw/zinc/64/17/22/1070641722.db2.gz OCDJBDJEJZDSTH-IAGOWNOFSA-N 0 3 442.586 0.180 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503407817 1070641771 /nfs/dbraw/zinc/64/17/71/1070641771.db2.gz QZKHVAWRNIUPSC-UHFFFAOYSA-N 0 3 426.587 0.423 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503408067 1070642657 /nfs/dbraw/zinc/64/26/57/1070642657.db2.gz SNVMNDAAXUOKQP-UHFFFAOYSA-N 0 3 428.603 0.768 20 0 ICADHN CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCOC1 ZINC001503408103 1070642747 /nfs/dbraw/zinc/64/27/47/1070642747.db2.gz KZMCPNMQEMYFIB-DLBZAZTESA-N 0 3 429.525 0.997 20 0 ICADHN CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCOC1 ZINC001503408107 1070642776 /nfs/dbraw/zinc/64/27/76/1070642776.db2.gz KZMCPNMQEMYFIB-IAGOWNOFSA-N 0 3 429.525 0.997 20 0 ICADHN CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCOC1 ZINC001503408109 1070642715 /nfs/dbraw/zinc/64/27/15/1070642715.db2.gz KZMCPNMQEMYFIB-IRXDYDNUSA-N 0 3 429.525 0.997 20 0 ICADHN CN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO)[C@H]1CCOC1 ZINC001503408111 1070642510 /nfs/dbraw/zinc/64/25/10/1070642510.db2.gz KZMCPNMQEMYFIB-SJORKVTESA-N 0 3 429.525 0.997 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503408508 1070643341 /nfs/dbraw/zinc/64/33/41/1070643341.db2.gz XYKKJIOEAXHFAC-KRWDZBQOSA-N 0 3 426.587 0.281 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503408510 1070643502 /nfs/dbraw/zinc/64/35/02/1070643502.db2.gz XYKKJIOEAXHFAC-QGZVFWFLSA-N 0 3 426.587 0.281 20 0 ICADHN CN(C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)CC1)S(C)(=O)=O ZINC001503436176 1070656781 /nfs/dbraw/zinc/65/67/81/1070656781.db2.gz IJEAFQLWADPCDL-KRWDZBQOSA-N 0 3 438.598 0.904 20 0 ICADHN CN(C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)CC1)S(C)(=O)=O ZINC001503436178 1070656855 /nfs/dbraw/zinc/65/68/55/1070656855.db2.gz IJEAFQLWADPCDL-QGZVFWFLSA-N 0 3 438.598 0.904 20 0 ICADHN CN(C1CCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)CC1)S(C)(=O)=O ZINC001503436331 1070656972 /nfs/dbraw/zinc/65/69/72/1070656972.db2.gz JGYQDCMFKOXCSN-UHFFFAOYSA-N 0 3 446.581 0.857 20 0 ICADHN CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCCC1 ZINC001503437300 1070658569 /nfs/dbraw/zinc/65/85/69/1070658569.db2.gz SRZOIZMYPJENDM-UHFFFAOYSA-N 0 3 433.557 0.295 20 0 ICADHN CN(CC(=O)N1CCOCC1)c1nnc(Cc2cccnc2)n1CCN1CC=CCC1 ZINC001503440404 1070662156 /nfs/dbraw/zinc/66/21/56/1070662156.db2.gz GHPZCFZUVHZNSC-UHFFFAOYSA-N 0 3 425.537 0.821 20 0 ICADHN CN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001503497369 1070668072 /nfs/dbraw/zinc/66/80/72/1070668072.db2.gz DBQYIYYBRSEXLY-UHFFFAOYSA-N 0 3 443.600 0.796 20 0 ICADHN CN(C[C@H]1CCOC1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001503558487 1070677864 /nfs/dbraw/zinc/67/78/64/1070677864.db2.gz GEKXHILQIYCBEQ-GOSISDBHSA-N 0 3 433.601 0.899 20 0 ICADHN CN(C[C@@H]1CCOC1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001503558489 1070677835 /nfs/dbraw/zinc/67/78/35/1070677835.db2.gz GEKXHILQIYCBEQ-SFHVURJKSA-N 0 3 433.601 0.899 20 0 ICADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001503610514 1070684551 /nfs/dbraw/zinc/68/45/51/1070684551.db2.gz GNHOUUYKIPCNLP-CVEARBPZSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC001503610515 1070684750 /nfs/dbraw/zinc/68/47/50/1070684750.db2.gz GNHOUUYKIPCNLP-HOTGVXAUSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001503610516 1070684830 /nfs/dbraw/zinc/68/48/30/1070684830.db2.gz GNHOUUYKIPCNLP-HZPDHXFCSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC001503610517 1070684662 /nfs/dbraw/zinc/68/46/62/1070684662.db2.gz GNHOUUYKIPCNLP-JKSUJKDBSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001503611203 1070684802 /nfs/dbraw/zinc/68/48/02/1070684802.db2.gz MVYMWWIIWLNYOE-CVEARBPZSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001503611205 1070684642 /nfs/dbraw/zinc/68/46/42/1070684642.db2.gz MVYMWWIIWLNYOE-HOTGVXAUSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC001503611207 1070684768 /nfs/dbraw/zinc/68/47/68/1070684768.db2.gz MVYMWWIIWLNYOE-HZPDHXFCSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 ZINC001503611209 1070685501 /nfs/dbraw/zinc/68/55/01/1070685501.db2.gz MVYMWWIIWLNYOE-JKSUJKDBSA-N 0 3 438.598 0.756 20 0 ICADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)Cc1ccc(F)cc1 ZINC001503613138 1070685477 /nfs/dbraw/zinc/68/54/77/1070685477.db2.gz RRMAUNLIMFNQOA-KRWDZBQOSA-N 0 3 429.500 0.779 20 0 ICADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)Cc1ccc(F)cc1 ZINC001503613139 1070685405 /nfs/dbraw/zinc/68/54/05/1070685405.db2.gz RRMAUNLIMFNQOA-QGZVFWFLSA-N 0 3 429.500 0.779 20 0 ICADHN CN(CCN1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO ZINC001503618470 1070687809 /nfs/dbraw/zinc/68/78/09/1070687809.db2.gz LINNMJLZVWHEKW-IBGZPJMESA-N 0 3 449.600 0.129 20 0 ICADHN CN(CCN1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO ZINC001503618472 1070687526 /nfs/dbraw/zinc/68/75/26/1070687526.db2.gz LINNMJLZVWHEKW-LJQANCHMSA-N 0 3 449.600 0.129 20 0 ICADHN Cn1cc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CCOCCCO)cn1 ZINC001503646235 1070701699 /nfs/dbraw/zinc/70/16/99/1070701699.db2.gz BMRXVVGVACHTGF-UHFFFAOYSA-N 0 3 433.557 0.626 20 0 ICADHN Cn1cccc1-c1nnc(N2CCN(C3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001503670003 1070709012 /nfs/dbraw/zinc/70/90/12/1070709012.db2.gz LKSGGVGTFKOZKK-UHFFFAOYSA-N 0 3 437.570 0.134 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)F)CC1 ZINC001503679161 1070715331 /nfs/dbraw/zinc/71/53/31/1070715331.db2.gz CPMUPVNWLSXESV-HNNXBMFYSA-N 0 3 439.511 0.670 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)F)CC1 ZINC001503679162 1070715173 /nfs/dbraw/zinc/71/51/73/1070715173.db2.gz CPMUPVNWLSXESV-OAHLLOKOSA-N 0 3 439.511 0.670 20 0 ICADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC(F)(F)F)cn1 ZINC001503681864 1070717786 /nfs/dbraw/zinc/71/77/86/1070717786.db2.gz OYWKKQYMHPAZSF-AWEZNQCLSA-N 0 3 426.447 0.984 20 0 ICADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CC(F)(F)F)cn1 ZINC001503681865 1070717555 /nfs/dbraw/zinc/71/75/55/1070717555.db2.gz OYWKKQYMHPAZSF-CQSZACIVSA-N 0 3 426.447 0.984 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001503681888 1070717495 /nfs/dbraw/zinc/71/74/95/1070717495.db2.gz PGJLAMIOFLJVGE-AWEZNQCLSA-N 0 3 443.474 0.577 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001503681890 1070717649 /nfs/dbraw/zinc/71/76/49/1070717649.db2.gz PGJLAMIOFLJVGE-CQSZACIVSA-N 0 3 443.474 0.577 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCOCC2)CC1 ZINC001503683229 1070719415 /nfs/dbraw/zinc/71/94/15/1070719415.db2.gz VCGOCOUOZMIXOB-KRWDZBQOSA-N 0 3 434.585 0.860 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCOCC2)CC1 ZINC001503683238 1070718979 /nfs/dbraw/zinc/71/89/79/1070718979.db2.gz VCGOCOUOZMIXOB-QGZVFWFLSA-N 0 3 434.585 0.860 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)O)CC1 ZINC001503683675 1070718933 /nfs/dbraw/zinc/71/89/33/1070718933.db2.gz WRADRVGWPHQKMF-INIZCTEOSA-N 0 3 433.557 0.028 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)O)CC1 ZINC001503683686 1070719223 /nfs/dbraw/zinc/71/92/23/1070719223.db2.gz WRADRVGWPHQKMF-MRXNPFEDSA-N 0 3 433.557 0.028 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 ZINC001503683932 1070719056 /nfs/dbraw/zinc/71/90/56/1070719056.db2.gz XJSAMJNTKJUAHA-HTAPYJJXSA-N 0 3 434.585 0.761 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 ZINC001503683936 1070719976 /nfs/dbraw/zinc/71/99/76/1070719976.db2.gz XJSAMJNTKJUAHA-JTSKRJEESA-N 0 3 434.585 0.761 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 ZINC001503683939 1070719904 /nfs/dbraw/zinc/71/99/04/1070719904.db2.gz XJSAMJNTKJUAHA-VGOFRKELSA-N 0 3 434.585 0.761 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 ZINC001503683941 1070720009 /nfs/dbraw/zinc/72/00/09/1070720009.db2.gz XJSAMJNTKJUAHA-VGSWGCGISA-N 0 3 434.585 0.761 20 0 ICADHN CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1)C1CC1 ZINC001503684026 1070720059 /nfs/dbraw/zinc/72/00/59/1070720059.db2.gz YQOGQIOSWNSFLG-GOSISDBHSA-N 0 3 446.577 0.967 20 0 ICADHN CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1)C1CC1 ZINC001503684029 1070719822 /nfs/dbraw/zinc/71/98/22/1070719822.db2.gz YQOGQIOSWNSFLG-SFHVURJKSA-N 0 3 446.577 0.967 20 0 ICADHN CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001503684526 1070719771 /nfs/dbraw/zinc/71/97/71/1070719771.db2.gz DZYJHJXPFNRFED-GOSISDBHSA-N 0 3 433.601 0.900 20 0 ICADHN CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001503684529 1070720115 /nfs/dbraw/zinc/72/01/15/1070720115.db2.gz DZYJHJXPFNRFED-SFHVURJKSA-N 0 3 433.601 0.900 20 0 ICADHN CN1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCOCC2)CC1(C)C ZINC001503684816 1070720497 /nfs/dbraw/zinc/72/04/97/1070720497.db2.gz JJWDLNNWDPFCCO-UHFFFAOYSA-N 0 3 428.541 0.788 20 0 ICADHN CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(CO)CC2)CC1(C)C ZINC001503685663 1070721533 /nfs/dbraw/zinc/72/15/33/1070721533.db2.gz WJXGHZBMBKTGEF-UHFFFAOYSA-N 0 3 433.601 0.749 20 0 ICADHN CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001503686582 1070722041 /nfs/dbraw/zinc/72/20/41/1070722041.db2.gz RNQBTYSVOVPYAH-KRWDZBQOSA-N 0 3 446.600 0.128 20 0 ICADHN Cn1ccc(Nc2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001503686904 1070722847 /nfs/dbraw/zinc/72/28/47/1070722847.db2.gz XDYBLDRAUIOTTI-HNNXBMFYSA-N 0 3 436.586 0.683 20 0 ICADHN Cn1ccc(Nc2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001503686906 1070722616 /nfs/dbraw/zinc/72/26/16/1070722616.db2.gz XDYBLDRAUIOTTI-OAHLLOKOSA-N 0 3 436.586 0.683 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503692387 1070726004 /nfs/dbraw/zinc/72/60/04/1070726004.db2.gz DFQRQOPGXHMAMP-AWEZNQCLSA-N 0 3 443.618 0.581 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001503692389 1070725916 /nfs/dbraw/zinc/72/59/16/1070725916.db2.gz DFQRQOPGXHMAMP-CQSZACIVSA-N 0 3 443.618 0.581 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503694917 1070726563 /nfs/dbraw/zinc/72/65/63/1070726563.db2.gz FNLBUKDYGXLGGK-UHFFFAOYSA-N 0 3 428.541 0.808 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503695512 1070727441 /nfs/dbraw/zinc/72/74/41/1070727441.db2.gz ALWVQOUSUWLDES-DLBZAZTESA-N 0 3 447.584 0.297 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503695513 1070727313 /nfs/dbraw/zinc/72/73/13/1070727313.db2.gz ALWVQOUSUWLDES-IAGOWNOFSA-N 0 3 447.584 0.297 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503695514 1070727181 /nfs/dbraw/zinc/72/71/81/1070727181.db2.gz ALWVQOUSUWLDES-IRXDYDNUSA-N 0 3 447.584 0.297 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503695515 1070727575 /nfs/dbraw/zinc/72/75/75/1070727575.db2.gz ALWVQOUSUWLDES-SJORKVTESA-N 0 3 447.584 0.297 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503696992 1070728079 /nfs/dbraw/zinc/72/80/79/1070728079.db2.gz XVHPOQBGKRDGLF-KRWDZBQOSA-N 0 3 433.601 0.992 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503696993 1070728247 /nfs/dbraw/zinc/72/82/47/1070728247.db2.gz XVHPOQBGKRDGLF-QGZVFWFLSA-N 0 3 433.601 0.992 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503697254 1070727968 /nfs/dbraw/zinc/72/79/68/1070727968.db2.gz AUDHUFRYFDTJBA-UHFFFAOYSA-N 0 3 447.584 0.474 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503699691 1070729206 /nfs/dbraw/zinc/72/92/06/1070729206.db2.gz MYVBGPHWCSGCLY-INIZCTEOSA-N 0 3 433.557 0.302 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503699692 1070729353 /nfs/dbraw/zinc/72/93/53/1070729353.db2.gz MYVBGPHWCSGCLY-MRXNPFEDSA-N 0 3 433.557 0.302 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503711513 1070733582 /nfs/dbraw/zinc/73/35/82/1070733582.db2.gz ATMMFNQBQBHMIX-INIZCTEOSA-N 0 3 429.573 0.579 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001503711517 1070733726 /nfs/dbraw/zinc/73/37/26/1070733726.db2.gz ATMMFNQBQBHMIX-MRXNPFEDSA-N 0 3 429.573 0.579 20 0 ICADHN CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)C1 ZINC001503720408 1070738489 /nfs/dbraw/zinc/73/84/89/1070738489.db2.gz JZWKXWDCQKVARC-HRAATJIYSA-N 0 3 435.573 0.226 20 0 ICADHN CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)C1 ZINC001503720409 1070738397 /nfs/dbraw/zinc/73/83/97/1070738397.db2.gz JZWKXWDCQKVARC-IERDGZPVSA-N 0 3 435.573 0.226 20 0 ICADHN CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)C1 ZINC001503720410 1070739030 /nfs/dbraw/zinc/73/90/30/1070739030.db2.gz JZWKXWDCQKVARC-IIBYNOLFSA-N 0 3 435.573 0.226 20 0 ICADHN CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)C1 ZINC001503720412 1070739328 /nfs/dbraw/zinc/73/93/28/1070739328.db2.gz JZWKXWDCQKVARC-KKSFZXQISA-N 0 3 435.573 0.226 20 0 ICADHN CNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503764431 1070757292 /nfs/dbraw/zinc/75/72/92/1070757292.db2.gz DLKBKDLAAFFCGY-UHFFFAOYSA-N 0 3 441.584 0.724 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001503780000 1070773626 /nfs/dbraw/zinc/77/36/26/1070773626.db2.gz OYTYMKNVVKKVMW-MSOLQXFVSA-N 0 3 447.584 0.440 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001503780001 1070774143 /nfs/dbraw/zinc/77/41/43/1070774143.db2.gz OYTYMKNVVKKVMW-QZTJIDSGSA-N 0 3 447.584 0.440 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001503780002 1070774405 /nfs/dbraw/zinc/77/44/05/1070774405.db2.gz OYTYMKNVVKKVMW-ROUUACIJSA-N 0 3 447.584 0.440 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001503780003 1070774570 /nfs/dbraw/zinc/77/45/70/1070774570.db2.gz OYTYMKNVVKKVMW-ZWKOTPCHSA-N 0 3 447.584 0.440 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001503780419 1070774346 /nfs/dbraw/zinc/77/43/46/1070774346.db2.gz PYCUHUBDPZOPJZ-MSOLQXFVSA-N 0 3 441.536 0.312 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001503780421 1070774245 /nfs/dbraw/zinc/77/42/45/1070774245.db2.gz PYCUHUBDPZOPJZ-QZTJIDSGSA-N 0 3 441.536 0.312 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001503780423 1070774455 /nfs/dbraw/zinc/77/44/55/1070774455.db2.gz PYCUHUBDPZOPJZ-ROUUACIJSA-N 0 3 441.536 0.312 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001503780424 1070774512 /nfs/dbraw/zinc/77/45/12/1070774512.db2.gz PYCUHUBDPZOPJZ-ZWKOTPCHSA-N 0 3 441.536 0.312 20 0 ICADHN CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001503798164 1070785137 /nfs/dbraw/zinc/78/51/37/1070785137.db2.gz ZECXPYHJNBUFCR-DLBZAZTESA-N 0 3 440.614 0.875 20 0 ICADHN CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001503798165 1070784907 /nfs/dbraw/zinc/78/49/07/1070784907.db2.gz ZECXPYHJNBUFCR-IAGOWNOFSA-N 0 3 440.614 0.875 20 0 ICADHN CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001503798166 1070784859 /nfs/dbraw/zinc/78/48/59/1070784859.db2.gz ZECXPYHJNBUFCR-IRXDYDNUSA-N 0 3 440.614 0.875 20 0 ICADHN CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001503798167 1070785076 /nfs/dbraw/zinc/78/50/76/1070785076.db2.gz ZECXPYHJNBUFCR-SJORKVTESA-N 0 3 440.614 0.875 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001503805057 1070788034 /nfs/dbraw/zinc/78/80/34/1070788034.db2.gz MWAHHNQBMLWENO-DLBZAZTESA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001503805058 1070787909 /nfs/dbraw/zinc/78/79/09/1070787909.db2.gz MWAHHNQBMLWENO-IAGOWNOFSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001503805059 1070788122 /nfs/dbraw/zinc/78/81/22/1070788122.db2.gz MWAHHNQBMLWENO-IRXDYDNUSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001503805060 1070787869 /nfs/dbraw/zinc/78/78/69/1070787869.db2.gz MWAHHNQBMLWENO-SJORKVTESA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001503806200 1070789716 /nfs/dbraw/zinc/78/97/16/1070789716.db2.gz IAWWECUYXFKFLM-UHFFFAOYSA-N 0 3 439.564 0.842 20 0 ICADHN CNC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503810655 1070792285 /nfs/dbraw/zinc/79/22/85/1070792285.db2.gz JNGCSNGRTRDUMP-UHFFFAOYSA-N 0 3 425.537 0.826 20 0 ICADHN CNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001503812105 1070792835 /nfs/dbraw/zinc/79/28/35/1070792835.db2.gz MCYXJDGTDJGJQV-UHFFFAOYSA-N 0 3 438.540 0.835 20 0 ICADHN CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503814143 1070794480 /nfs/dbraw/zinc/79/44/80/1070794480.db2.gz QURAUDAYSWHXQU-APWZRJJASA-N 0 3 442.568 0.788 20 0 ICADHN CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503814144 1070794527 /nfs/dbraw/zinc/79/45/27/1070794527.db2.gz QURAUDAYSWHXQU-LPHOPBHVSA-N 0 3 442.568 0.788 20 0 ICADHN CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503814145 1070794214 /nfs/dbraw/zinc/79/42/14/1070794214.db2.gz QURAUDAYSWHXQU-QFBILLFUSA-N 0 3 442.568 0.788 20 0 ICADHN CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503814146 1070794327 /nfs/dbraw/zinc/79/43/27/1070794327.db2.gz QURAUDAYSWHXQU-VQIMIIECSA-N 0 3 442.568 0.788 20 0 ICADHN CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503817509 1070797969 /nfs/dbraw/zinc/79/79/69/1070797969.db2.gz SJEAITQSPYCRJT-UHFFFAOYSA-N 0 3 440.552 0.144 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 ZINC001503819582 1070799128 /nfs/dbraw/zinc/79/91/28/1070799128.db2.gz HCFUTGDHSPVJOQ-IBGZPJMESA-N 0 3 438.602 0.315 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 ZINC001503819583 1070799241 /nfs/dbraw/zinc/79/92/41/1070799241.db2.gz HCFUTGDHSPVJOQ-LJQANCHMSA-N 0 3 438.602 0.315 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC(C)(C)C2)CC1 ZINC001503819957 1070799728 /nfs/dbraw/zinc/79/97/28/1070799728.db2.gz NGCOQICSJPDBJA-UHFFFAOYSA-N 0 3 434.589 1.000 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2C2CC2)CC1 ZINC001503820476 1070800795 /nfs/dbraw/zinc/80/07/95/1070800795.db2.gz YVURDYFECJMAQQ-KRWDZBQOSA-N 0 3 432.573 0.895 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2C2CC2)CC1 ZINC001503820477 1070800574 /nfs/dbraw/zinc/80/05/74/1070800574.db2.gz YVURDYFECJMAQQ-QGZVFWFLSA-N 0 3 432.573 0.895 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CC1 ZINC001503821915 1070800468 /nfs/dbraw/zinc/80/04/68/1070800468.db2.gz JYAKWXBGYKBXSN-UHFFFAOYSA-N 0 3 441.540 0.873 20 0 ICADHN CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001503824952 1070803234 /nfs/dbraw/zinc/80/32/34/1070803234.db2.gz QLMRGSKDHYGVQR-HNNXBMFYSA-N 0 3 441.602 0.229 20 0 ICADHN CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001503824953 1070803743 /nfs/dbraw/zinc/80/37/43/1070803743.db2.gz QLMRGSKDHYGVQR-OAHLLOKOSA-N 0 3 441.602 0.229 20 0 ICADHN CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001503834867 1070816461 /nfs/dbraw/zinc/81/64/61/1070816461.db2.gz GJYLZHVXAOILMS-HNNXBMFYSA-N 0 3 426.587 0.784 20 0 ICADHN CNS(=O)(=O)CCn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503835102 1070817579 /nfs/dbraw/zinc/81/75/79/1070817579.db2.gz ABXACXVFNJNNCL-UHFFFAOYSA-N 0 3 428.603 0.673 20 0 ICADHN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001503835986 1070821259 /nfs/dbraw/zinc/82/12/59/1070821259.db2.gz MAEBPYQDONUGEC-UHFFFAOYSA-N 0 3 439.586 0.014 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001503836067 1070819721 /nfs/dbraw/zinc/81/97/21/1070819721.db2.gz DOBBFUWBPYIEON-UHFFFAOYSA-N 0 3 437.570 0.134 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503837217 1070823192 /nfs/dbraw/zinc/82/31/92/1070823192.db2.gz QARYNYSOTZWZJC-UHFFFAOYSA-N 0 3 449.581 0.438 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503838022 1070824933 /nfs/dbraw/zinc/82/49/33/1070824933.db2.gz VNRZUHXICBHZQQ-UHFFFAOYSA-N 0 3 449.581 0.438 20 0 ICADHN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001503842431 1070831408 /nfs/dbraw/zinc/83/14/08/1070831408.db2.gz YAWLZBFAXWDAQG-CVEARBPZSA-N 0 3 442.586 0.021 20 0 ICADHN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001503842432 1070831605 /nfs/dbraw/zinc/83/16/05/1070831605.db2.gz YAWLZBFAXWDAQG-HZPDHXFCSA-N 0 3 442.586 0.021 20 0 ICADHN COC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001503853426 1070835149 /nfs/dbraw/zinc/83/51/49/1070835149.db2.gz JHGLKKFZPPOLPP-KRWDZBQOSA-N 0 3 436.557 0.653 20 0 ICADHN COC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 ZINC001503853427 1070835607 /nfs/dbraw/zinc/83/56/07/1070835607.db2.gz JHGLKKFZPPOLPP-QGZVFWFLSA-N 0 3 436.557 0.653 20 0 ICADHN COC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001503853487 1070835238 /nfs/dbraw/zinc/83/52/38/1070835238.db2.gz KZAYYHYUNPTCIL-UHFFFAOYSA-N 0 3 449.600 0.832 20 0 ICADHN COC(=O)N1CCC(Cn2c(C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001503885798 1070845332 /nfs/dbraw/zinc/84/53/32/1070845332.db2.gz YVJUMMBXKNWVSR-UHFFFAOYSA-N 0 3 433.557 0.809 20 0 ICADHN COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001503906419 1070852960 /nfs/dbraw/zinc/85/29/60/1070852960.db2.gz XSCJINDZJKOHRN-INIZCTEOSA-N 0 3 437.545 0.152 20 0 ICADHN COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 ZINC001503906421 1070852865 /nfs/dbraw/zinc/85/28/65/1070852865.db2.gz XSCJINDZJKOHRN-MRXNPFEDSA-N 0 3 437.545 0.152 20 0 ICADHN CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001503981960 1070862893 /nfs/dbraw/zinc/86/28/93/1070862893.db2.gz FRAKTZAKBIHLPM-FGTMMUONSA-N 0 3 447.584 0.643 20 0 ICADHN CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001503981961 1070863213 /nfs/dbraw/zinc/86/32/13/1070863213.db2.gz FRAKTZAKBIHLPM-KZNAEPCWSA-N 0 3 447.584 0.643 20 0 ICADHN CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001503981962 1070863417 /nfs/dbraw/zinc/86/34/17/1070863417.db2.gz FRAKTZAKBIHLPM-OKZBNKHCSA-N 0 3 447.584 0.643 20 0 ICADHN CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001503981963 1070863084 /nfs/dbraw/zinc/86/30/84/1070863084.db2.gz FRAKTZAKBIHLPM-RCCFBDPRSA-N 0 3 447.584 0.643 20 0 ICADHN COc1cc(OC)cc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCN(C)C2)c1 ZINC001504129365 1070876830 /nfs/dbraw/zinc/87/68/30/1070876830.db2.gz HFLLBTRUKBOQFE-FQEVSTJZSA-N 0 3 435.550 0.598 20 0 ICADHN COc1cc(OC)cc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCN(C)C2)c1 ZINC001504129367 1070877183 /nfs/dbraw/zinc/87/71/83/1070877183.db2.gz HFLLBTRUKBOQFE-HXUWFJFHSA-N 0 3 435.550 0.598 20 0 ICADHN COc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCN(C)C2)c(OC)c1 ZINC001504206793 1070882547 /nfs/dbraw/zinc/88/25/47/1070882547.db2.gz ORDHAFQHFHHAOG-FQEVSTJZSA-N 0 3 435.550 0.598 20 0 ICADHN COc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCN(C)C2)c(OC)c1 ZINC001504206794 1070882436 /nfs/dbraw/zinc/88/24/36/1070882436.db2.gz ORDHAFQHFHHAOG-HXUWFJFHSA-N 0 3 435.550 0.598 20 0 ICADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001504489027 1070904988 /nfs/dbraw/zinc/90/49/88/1070904988.db2.gz DVJBCMLBOYDSDQ-CALCHBBNSA-N 0 3 436.557 0.867 20 0 ICADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001504489260 1070905117 /nfs/dbraw/zinc/90/51/17/1070905117.db2.gz GUWZWVMEJMIJOG-HNNXBMFYSA-N 0 3 435.573 0.617 20 0 ICADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001504489264 1070905105 /nfs/dbraw/zinc/90/51/05/1070905105.db2.gz GUWZWVMEJMIJOG-OAHLLOKOSA-N 0 3 435.573 0.617 20 0 ICADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC(C)CC2)CC1 ZINC001504528823 1070910198 /nfs/dbraw/zinc/91/01/98/1070910198.db2.gz WTWHDDLELPZSLU-UHFFFAOYSA-N 0 3 435.573 0.443 20 0 ICADHN COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001504584798 1070919299 /nfs/dbraw/zinc/91/92/99/1070919299.db2.gz MLMNNTMPVXRGRM-GOSISDBHSA-N 0 3 443.552 0.746 20 0 ICADHN COC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001504584800 1070919352 /nfs/dbraw/zinc/91/93/52/1070919352.db2.gz MLMNNTMPVXRGRM-SFHVURJKSA-N 0 3 443.552 0.746 20 0 ICADHN COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001504590153 1070920495 /nfs/dbraw/zinc/92/04/95/1070920495.db2.gz OSPOAADBCKQCMH-CEXWTWQISA-N 0 3 449.600 0.495 20 0 ICADHN COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001504590160 1070920332 /nfs/dbraw/zinc/92/03/32/1070920332.db2.gz OSPOAADBCKQCMH-FHWLQOOXSA-N 0 3 449.600 0.495 20 0 ICADHN COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001504590162 1070920555 /nfs/dbraw/zinc/92/05/55/1070920555.db2.gz OSPOAADBCKQCMH-GBESFXJTSA-N 0 3 449.600 0.495 20 0 ICADHN COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001504590164 1070920439 /nfs/dbraw/zinc/92/04/39/1070920439.db2.gz OSPOAADBCKQCMH-QYZOEREBSA-N 0 3 449.600 0.495 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001517548585 1070788255 /nfs/dbraw/zinc/78/82/55/1070788255.db2.gz UUQKJAVLCJJZPE-MOPGFXCFSA-N 0 3 428.537 0.865 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001517548600 1070788025 /nfs/dbraw/zinc/78/80/25/1070788025.db2.gz UUQKJAVLCJJZPE-OALUTQOASA-N 0 3 428.537 0.865 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001517548607 1070787938 /nfs/dbraw/zinc/78/79/38/1070787938.db2.gz UUQKJAVLCJJZPE-RBUKOAKNSA-N 0 3 428.537 0.865 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001517548611 1070788116 /nfs/dbraw/zinc/78/81/16/1070788116.db2.gz UUQKJAVLCJJZPE-RTBURBONSA-N 0 3 428.537 0.865 20 0 ICADHN CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 ZINC001517550223 1070790534 /nfs/dbraw/zinc/79/05/34/1070790534.db2.gz VORVFIJMCWNYGY-GOSISDBHSA-N 0 3 449.600 0.616 20 0 ICADHN CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001517550224 1070790573 /nfs/dbraw/zinc/79/05/73/1070790573.db2.gz VORVFIJMCWNYGY-SFHVURJKSA-N 0 3 449.600 0.616 20 0 ICADHN CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001517554070 1070792751 /nfs/dbraw/zinc/79/27/51/1070792751.db2.gz CJGGXKAHZKKTHN-FQEVSTJZSA-N 0 3 437.614 0.914 20 0 ICADHN CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001517554071 1070792500 /nfs/dbraw/zinc/79/25/00/1070792500.db2.gz CJGGXKAHZKKTHN-HXUWFJFHSA-N 0 3 437.614 0.914 20 0 ICADHN CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001517565164 1070794966 /nfs/dbraw/zinc/79/49/66/1070794966.db2.gz ZATLXZZUWXDADH-UHFFFAOYSA-N 0 3 448.616 0.503 20 0 ICADHN CNC(=O)CCCN(C)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001517568215 1070796410 /nfs/dbraw/zinc/79/64/10/1070796410.db2.gz IAYGSEKWJNSXNJ-UHFFFAOYSA-N 0 3 448.616 0.389 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001517582613 1070802213 /nfs/dbraw/zinc/80/22/13/1070802213.db2.gz CVGREXRGRYPBBM-HNNXBMFYSA-N 0 3 426.587 0.627 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001517582616 1070802094 /nfs/dbraw/zinc/80/20/94/1070802094.db2.gz CVGREXRGRYPBBM-OAHLLOKOSA-N 0 3 426.587 0.627 20 0 ICADHN CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001517586165 1070805062 /nfs/dbraw/zinc/80/50/62/1070805062.db2.gz WCAMLIJSEQKNLJ-DLBZAZTESA-N 0 3 438.573 0.828 20 0 ICADHN CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001517586168 1070804848 /nfs/dbraw/zinc/80/48/48/1070804848.db2.gz WCAMLIJSEQKNLJ-IRXDYDNUSA-N 0 3 438.573 0.828 20 0 ICADHN CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001517592918 1070806824 /nfs/dbraw/zinc/80/68/24/1070806824.db2.gz FONKKHQZPHWROP-KRWDZBQOSA-N 0 3 428.541 0.163 20 0 ICADHN CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001517592921 1070807560 /nfs/dbraw/zinc/80/75/60/1070807560.db2.gz FONKKHQZPHWROP-QGZVFWFLSA-N 0 3 428.541 0.163 20 0 ICADHN CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001517592955 1070807645 /nfs/dbraw/zinc/80/76/45/1070807645.db2.gz FWNANQZYFJZHAV-UHFFFAOYSA-N 0 3 426.525 0.221 20 0 ICADHN CNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001517596522 1070809908 /nfs/dbraw/zinc/80/99/08/1070809908.db2.gz YOLWARFWSROGAD-GOSISDBHSA-N 0 3 440.552 0.527 20 0 ICADHN CNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001517596527 1070809549 /nfs/dbraw/zinc/80/95/49/1070809549.db2.gz YOLWARFWSROGAD-SFHVURJKSA-N 0 3 440.552 0.527 20 0 ICADHN CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001517598973 1070812568 /nfs/dbraw/zinc/81/25/68/1070812568.db2.gz SESWMDPRTKPUPR-UHFFFAOYSA-N 0 3 440.552 0.144 20 0 ICADHN CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001517599600 1070812203 /nfs/dbraw/zinc/81/22/03/1070812203.db2.gz ROLXLDAETZNTBO-KRWDZBQOSA-N 0 3 433.557 0.400 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001517599603 1070811931 /nfs/dbraw/zinc/81/19/31/1070811931.db2.gz ROLXLDAETZNTBO-QGZVFWFLSA-N 0 3 433.557 0.400 20 0 ICADHN CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001517600439 1070812892 /nfs/dbraw/zinc/81/28/92/1070812892.db2.gz ZJLSFLWTWFVBGL-KRWDZBQOSA-N 0 3 445.593 0.809 20 0 ICADHN CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001517600440 1070813035 /nfs/dbraw/zinc/81/30/35/1070813035.db2.gz ZJLSFLWTWFVBGL-QGZVFWFLSA-N 0 3 445.593 0.809 20 0 ICADHN CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001517601691 1070813865 /nfs/dbraw/zinc/81/38/65/1070813865.db2.gz VPAXCXFHSXSDAX-UHFFFAOYSA-N 0 3 433.557 0.085 20 0 ICADHN CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001517601765 1070814048 /nfs/dbraw/zinc/81/40/48/1070814048.db2.gz XPKQOCUFEMVZCE-GOSISDBHSA-N 0 3 430.557 0.434 20 0 ICADHN CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001517601766 1070815200 /nfs/dbraw/zinc/81/52/00/1070815200.db2.gz XPKQOCUFEMVZCE-SFHVURJKSA-N 0 3 430.557 0.434 20 0 ICADHN CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001517602139 1070814585 /nfs/dbraw/zinc/81/45/85/1070814585.db2.gz MYROYVQEEKIAMA-GOSISDBHSA-N 0 3 446.600 0.141 20 0 ICADHN CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001517602140 1070814862 /nfs/dbraw/zinc/81/48/62/1070814862.db2.gz MYROYVQEEKIAMA-SFHVURJKSA-N 0 3 446.600 0.141 20 0 ICADHN CNC(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001517603054 1070815868 /nfs/dbraw/zinc/81/58/68/1070815868.db2.gz UHFXIEAFMYCKEZ-APWZRJJASA-N 0 3 431.585 0.746 20 0 ICADHN CNC(=O)CCn1c(CC2CC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001517603055 1070815442 /nfs/dbraw/zinc/81/54/42/1070815442.db2.gz UHFXIEAFMYCKEZ-LPHOPBHVSA-N 0 3 431.585 0.746 20 0 ICADHN CNC(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001517603056 1070815741 /nfs/dbraw/zinc/81/57/41/1070815741.db2.gz UHFXIEAFMYCKEZ-QFBILLFUSA-N 0 3 431.585 0.746 20 0 ICADHN CNC(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001517603057 1070816026 /nfs/dbraw/zinc/81/60/26/1070816026.db2.gz UHFXIEAFMYCKEZ-VQIMIIECSA-N 0 3 431.585 0.746 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)CC1 ZINC001517603864 1070816799 /nfs/dbraw/zinc/81/67/99/1070816799.db2.gz OIMUMAWAEKRPFR-UHFFFAOYSA-N 0 3 432.573 0.707 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001517604768 1070817717 /nfs/dbraw/zinc/81/77/17/1070817717.db2.gz IJKLYVIUXXCFSL-BHIYHBOVSA-N 0 3 447.584 0.645 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001517604769 1070817203 /nfs/dbraw/zinc/81/72/03/1070817203.db2.gz IJKLYVIUXXCFSL-NZSAHSFTSA-N 0 3 447.584 0.645 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001517604770 1070817331 /nfs/dbraw/zinc/81/73/31/1070817331.db2.gz IJKLYVIUXXCFSL-QXAKKESOSA-N 0 3 447.584 0.645 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001517604771 1070817592 /nfs/dbraw/zinc/81/75/92/1070817592.db2.gz IJKLYVIUXXCFSL-YTQUADARSA-N 0 3 447.584 0.645 20 0 ICADHN CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001517608180 1070818818 /nfs/dbraw/zinc/81/88/18/1070818818.db2.gz ILRRZTQUGPKQHS-GOSISDBHSA-N 0 3 448.616 0.881 20 0 ICADHN CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001517608183 1070819020 /nfs/dbraw/zinc/81/90/20/1070819020.db2.gz ILRRZTQUGPKQHS-SFHVURJKSA-N 0 3 448.616 0.881 20 0 ICADHN CNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)CCOC)CC1 ZINC001517614842 1070824863 /nfs/dbraw/zinc/82/48/63/1070824863.db2.gz ORDAVJDJDYXTAJ-UHFFFAOYSA-N 0 3 436.586 0.673 20 0 ICADHN CNS(=O)(=O)CCn1c(C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001517619655 1070828615 /nfs/dbraw/zinc/82/86/15/1070828615.db2.gz KDQSSOWTGWCXRP-UHFFFAOYSA-N 0 3 435.598 0.390 20 0 ICADHN CNS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001517622135 1070830477 /nfs/dbraw/zinc/83/04/77/1070830477.db2.gz KOWPHSLDVYBGBP-UHFFFAOYSA-N 0 3 436.586 0.502 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001517627677 1070837515 /nfs/dbraw/zinc/83/75/15/1070837515.db2.gz OYLGSTNWCXINDI-UHFFFAOYSA-N 0 3 449.581 0.438 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001517627781 1070837899 /nfs/dbraw/zinc/83/78/99/1070837899.db2.gz QLCOSFIVVNOMHD-UHFFFAOYSA-N 0 3 434.566 0.795 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001517628614 1070839057 /nfs/dbraw/zinc/83/90/57/1070839057.db2.gz VCXOKIQPYICBBB-UHFFFAOYSA-N 0 3 449.581 0.438 20 0 ICADHN CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001517632003 1070843305 /nfs/dbraw/zinc/84/33/05/1070843305.db2.gz USUGNRVAVACQOM-UHFFFAOYSA-N 0 3 426.587 0.786 20 0 ICADHN CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001517632399 1070845022 /nfs/dbraw/zinc/84/50/22/1070845022.db2.gz XOAPILRMOWIQNS-UHFFFAOYSA-N 0 3 426.587 0.643 20 0 ICADHN CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001517632765 1070845861 /nfs/dbraw/zinc/84/58/61/1070845861.db2.gz LRLXSUICMDVIKW-UHFFFAOYSA-N 0 3 438.602 0.609 20 0 ICADHN CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001517633582 1070846983 /nfs/dbraw/zinc/84/69/83/1070846983.db2.gz RMYOEXWHVDGKOK-UHFFFAOYSA-N 0 3 426.587 0.328 20 0 ICADHN COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001517665787 1070855258 /nfs/dbraw/zinc/85/52/58/1070855258.db2.gz DADHSTWHKCLYEH-CVEARBPZSA-N 0 3 433.557 0.255 20 0 ICADHN COC(=O)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001517665789 1070854920 /nfs/dbraw/zinc/85/49/20/1070854920.db2.gz DADHSTWHKCLYEH-HOTGVXAUSA-N 0 3 433.557 0.255 20 0 ICADHN COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001517665792 1070855757 /nfs/dbraw/zinc/85/57/57/1070855757.db2.gz DADHSTWHKCLYEH-HZPDHXFCSA-N 0 3 433.557 0.255 20 0 ICADHN COC(=O)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001517665795 1070855596 /nfs/dbraw/zinc/85/55/96/1070855596.db2.gz DADHSTWHKCLYEH-JKSUJKDBSA-N 0 3 433.557 0.255 20 0 ICADHN COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)C[C@H]1O ZINC001517690179 1070863997 /nfs/dbraw/zinc/86/39/97/1070863997.db2.gz LRMSFPDHHWZHPM-IAGOWNOFSA-N 0 3 434.541 0.360 20 0 ICADHN COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001517730037 1070875695 /nfs/dbraw/zinc/87/56/95/1070875695.db2.gz HMNKLVGIQDWXCP-KRWDZBQOSA-N 0 3 430.557 0.846 20 0 ICADHN COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001517730041 1070875977 /nfs/dbraw/zinc/87/59/77/1070875977.db2.gz HMNKLVGIQDWXCP-QGZVFWFLSA-N 0 3 430.557 0.846 20 0 ICADHN CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001517772083 1070881231 /nfs/dbraw/zinc/88/12/31/1070881231.db2.gz RYOWNAULIBHVQS-AEFFLSMTSA-N 0 3 441.598 0.764 20 0 ICADHN CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001517772087 1070880959 /nfs/dbraw/zinc/88/09/59/1070880959.db2.gz RYOWNAULIBHVQS-FUHWJXTLSA-N 0 3 441.598 0.764 20 0 ICADHN CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001517772091 1070880843 /nfs/dbraw/zinc/88/08/43/1070880843.db2.gz RYOWNAULIBHVQS-SJLPKXTDSA-N 0 3 441.598 0.764 20 0 ICADHN CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001517772095 1070880677 /nfs/dbraw/zinc/88/06/77/1070880677.db2.gz RYOWNAULIBHVQS-WMZOPIPTSA-N 0 3 441.598 0.764 20 0 ICADHN COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001517911678 1070892990 /nfs/dbraw/zinc/89/29/90/1070892990.db2.gz CEOZJNHTGNUDKR-INIZCTEOSA-N 0 3 442.586 0.322 20 0 ICADHN COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001517911681 1070893236 /nfs/dbraw/zinc/89/32/36/1070893236.db2.gz CEOZJNHTGNUDKR-MRXNPFEDSA-N 0 3 442.586 0.322 20 0 ICADHN CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)CC2)CCOC1 ZINC001517926150 1070896212 /nfs/dbraw/zinc/89/62/12/1070896212.db2.gz QQFOKBAKKXBZMU-NRFANRHFSA-N 0 3 436.557 0.523 20 0 ICADHN CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)CC2)CCOC1 ZINC001517926151 1070896017 /nfs/dbraw/zinc/89/60/17/1070896017.db2.gz QQFOKBAKKXBZMU-OAQYLSRUSA-N 0 3 436.557 0.523 20 0 ICADHN COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)N(C)C)c1 ZINC001518349002 1070914319 /nfs/dbraw/zinc/91/43/19/1070914319.db2.gz DBJXGGGWWOPHLS-GOSISDBHSA-N 0 3 441.536 0.648 20 0 ICADHN COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)C2)N(C)C)c1 ZINC001518349004 1070914390 /nfs/dbraw/zinc/91/43/90/1070914390.db2.gz DBJXGGGWWOPHLS-SFHVURJKSA-N 0 3 441.536 0.648 20 0 ICADHN COc1cccc([C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)N(C)C)c1 ZINC001518350161 1070914435 /nfs/dbraw/zinc/91/44/35/1070914435.db2.gz MPJQRUQMDBGXIH-AEFFLSMTSA-N 0 3 427.509 0.045 20 0 ICADHN COc1cccc([C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)N(C)C)c1 ZINC001518350180 1070914262 /nfs/dbraw/zinc/91/42/62/1070914262.db2.gz MPJQRUQMDBGXIH-FUHWJXTLSA-N 0 3 427.509 0.045 20 0 ICADHN COc1cccc([C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)N(C)C)c1 ZINC001518350184 1070914277 /nfs/dbraw/zinc/91/42/77/1070914277.db2.gz MPJQRUQMDBGXIH-SJLPKXTDSA-N 0 3 427.509 0.045 20 0 ICADHN COc1cccc([C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)N(C)C)c1 ZINC001518350189 1070914357 /nfs/dbraw/zinc/91/43/57/1070914357.db2.gz MPJQRUQMDBGXIH-WMZOPIPTSA-N 0 3 427.509 0.045 20 0 ICADHN COC1CCN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001518590998 1070928189 /nfs/dbraw/zinc/92/81/89/1070928189.db2.gz HRDFCGPXNYBYDK-UHFFFAOYSA-N 0 3 447.584 0.730 20 0 ICADHN COCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)CC1 ZINC001518659538 1070939067 /nfs/dbraw/zinc/93/90/67/1070939067.db2.gz OCDFQUNHCKVDNI-UHFFFAOYSA-N 0 3 435.573 0.634 20 0 ICADHN COCC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)CC1 ZINC001518669411 1070943052 /nfs/dbraw/zinc/94/30/52/1070943052.db2.gz BHRFRBHKAMJEIW-UHFFFAOYSA-N 0 3 425.537 0.821 20 0 ICADHN COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001518717451 1070951678 /nfs/dbraw/zinc/95/16/78/1070951678.db2.gz YFIVQAXVSXCCGI-GOSISDBHSA-N 0 3 438.573 0.626 20 0 ICADHN COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001518717457 1070951776 /nfs/dbraw/zinc/95/17/76/1070951776.db2.gz YFIVQAXVSXCCGI-SFHVURJKSA-N 0 3 438.573 0.626 20 0 ICADHN COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001518733121 1070955191 /nfs/dbraw/zinc/95/51/91/1070955191.db2.gz RXYBYDBXLRKUMG-CVEARBPZSA-N 0 3 439.536 0.144 20 0 ICADHN COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001518733133 1070955802 /nfs/dbraw/zinc/95/58/02/1070955802.db2.gz RXYBYDBXLRKUMG-HOTGVXAUSA-N 0 3 439.536 0.144 20 0 ICADHN COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001518733136 1070955758 /nfs/dbraw/zinc/95/57/58/1070955758.db2.gz RXYBYDBXLRKUMG-HZPDHXFCSA-N 0 3 439.536 0.144 20 0 ICADHN COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001518733140 1070955856 /nfs/dbraw/zinc/95/58/56/1070955856.db2.gz RXYBYDBXLRKUMG-JKSUJKDBSA-N 0 3 439.536 0.144 20 0 ICADHN COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001518734741 1070955835 /nfs/dbraw/zinc/95/58/35/1070955835.db2.gz CVNVQWYTOLVORG-MOPGFXCFSA-N 0 3 443.552 0.744 20 0 ICADHN COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001518734745 1070955844 /nfs/dbraw/zinc/95/58/44/1070955844.db2.gz CVNVQWYTOLVORG-OALUTQOASA-N 0 3 443.552 0.744 20 0 ICADHN COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001518734751 1070956444 /nfs/dbraw/zinc/95/64/44/1070956444.db2.gz CVNVQWYTOLVORG-RBUKOAKNSA-N 0 3 443.552 0.744 20 0 ICADHN COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001518734754 1070956383 /nfs/dbraw/zinc/95/63/83/1070956383.db2.gz CVNVQWYTOLVORG-RTBURBONSA-N 0 3 443.552 0.744 20 0 ICADHN COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001518744614 1070958791 /nfs/dbraw/zinc/95/87/91/1070958791.db2.gz MPPWURITSNAGAH-ARFHVFGLSA-N 0 3 448.565 0.031 20 0 ICADHN COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001518744615 1070958699 /nfs/dbraw/zinc/95/86/99/1070958699.db2.gz MPPWURITSNAGAH-BZUAXINKSA-N 0 3 448.565 0.031 20 0 ICADHN COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001518744616 1070958727 /nfs/dbraw/zinc/95/87/27/1070958727.db2.gz MPPWURITSNAGAH-HRCADAONSA-N 0 3 448.565 0.031 20 0 ICADHN COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001518744617 1070958832 /nfs/dbraw/zinc/95/88/32/1070958832.db2.gz MPPWURITSNAGAH-OWCLPIDISA-N 0 3 448.565 0.031 20 0 ICADHN COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001518757319 1070961243 /nfs/dbraw/zinc/96/12/43/1070961243.db2.gz DRHBEHDNQBUOTH-GOSISDBHSA-N 0 3 438.548 0.934 20 0 ICADHN COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001518757323 1070961239 /nfs/dbraw/zinc/96/12/39/1070961239.db2.gz DRHBEHDNQBUOTH-SFHVURJKSA-N 0 3 438.548 0.934 20 0 ICADHN COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001518760275 1070961844 /nfs/dbraw/zinc/96/18/44/1070961844.db2.gz XFPBHGXUQIUSKR-MOPGFXCFSA-N 0 3 445.543 0.991 20 0 ICADHN COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001518760278 1070961785 /nfs/dbraw/zinc/96/17/85/1070961785.db2.gz XFPBHGXUQIUSKR-OALUTQOASA-N 0 3 445.543 0.991 20 0 ICADHN COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001518760279 1070961914 /nfs/dbraw/zinc/96/19/14/1070961914.db2.gz XFPBHGXUQIUSKR-RBUKOAKNSA-N 0 3 445.543 0.991 20 0 ICADHN COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001518760280 1070961934 /nfs/dbraw/zinc/96/19/34/1070961934.db2.gz XFPBHGXUQIUSKR-RTBURBONSA-N 0 3 445.543 0.991 20 0 ICADHN COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001518897916 1070973129 /nfs/dbraw/zinc/97/31/29/1070973129.db2.gz JCIGUOFAWQISBL-JXFKEZNVSA-N 0 3 438.598 0.803 20 0 ICADHN COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001518897921 1070973027 /nfs/dbraw/zinc/97/30/27/1070973027.db2.gz JCIGUOFAWQISBL-OXJNMPFZSA-N 0 3 438.598 0.803 20 0 ICADHN COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001518897925 1070973080 /nfs/dbraw/zinc/97/30/80/1070973080.db2.gz JCIGUOFAWQISBL-OXQOHEQNSA-N 0 3 438.598 0.803 20 0 ICADHN COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001518897930 1070973146 /nfs/dbraw/zinc/97/31/46/1070973146.db2.gz JCIGUOFAWQISBL-UZLBHIALSA-N 0 3 438.598 0.803 20 0 ICADHN COC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001518924247 1070979579 /nfs/dbraw/zinc/97/95/79/1070979579.db2.gz ONXMJXBCEJTJCL-KRWDZBQOSA-N 0 3 430.557 0.613 20 0 ICADHN COC[C@H]1CN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001518924248 1070979707 /nfs/dbraw/zinc/97/97/07/1070979707.db2.gz ONXMJXBCEJTJCL-QGZVFWFLSA-N 0 3 430.557 0.613 20 0 ICADHN COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001519039311 1070994580 /nfs/dbraw/zinc/99/45/80/1070994580.db2.gz ZFPIFNYQIDVSKF-GOSISDBHSA-N 0 3 447.584 0.570 20 0 ICADHN COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001519039314 1070994531 /nfs/dbraw/zinc/99/45/31/1070994531.db2.gz ZFPIFNYQIDVSKF-SFHVURJKSA-N 0 3 447.584 0.570 20 0 ICADHN COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001519071905 1070999983 /nfs/dbraw/zinc/99/99/83/1070999983.db2.gz VGJYKPSNRRPLCS-CVEARBPZSA-N 0 3 444.602 0.614 20 0 ICADHN COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001519071908 1070999968 /nfs/dbraw/zinc/99/99/68/1070999968.db2.gz VGJYKPSNRRPLCS-HZPDHXFCSA-N 0 3 444.602 0.614 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001519114436 1071007029 /nfs/dbraw/zinc/00/70/29/1071007029.db2.gz HZCPKJWXIYDPIN-CABCVRRESA-N 0 3 435.554 0.842 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001519114438 1071007433 /nfs/dbraw/zinc/00/74/33/1071007433.db2.gz HZCPKJWXIYDPIN-GJZGRUSLSA-N 0 3 435.554 0.842 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001519114441 1071007082 /nfs/dbraw/zinc/00/70/82/1071007082.db2.gz HZCPKJWXIYDPIN-HUUCEWRRSA-N 0 3 435.554 0.842 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001519114443 1071006844 /nfs/dbraw/zinc/00/68/44/1071006844.db2.gz HZCPKJWXIYDPIN-LSDHHAIUSA-N 0 3 435.554 0.842 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001519114528 1071006897 /nfs/dbraw/zinc/00/68/97/1071006897.db2.gz GBJCJQYEOWLRHD-INIZCTEOSA-N 0 3 449.556 0.271 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001519114534 1071008367 /nfs/dbraw/zinc/00/83/67/1071008367.db2.gz GBJCJQYEOWLRHD-MRXNPFEDSA-N 0 3 449.556 0.271 20 0 ICADHN COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001519116113 1071008470 /nfs/dbraw/zinc/00/84/70/1071008470.db2.gz NIWUXEUOBNFZRS-UHFFFAOYSA-N 0 3 427.509 0.607 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001519116215 1071007798 /nfs/dbraw/zinc/00/77/98/1071007798.db2.gz OJBWYVJRCAXHFX-FIKGOQFSSA-N 0 3 436.557 0.582 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001519116216 1071008103 /nfs/dbraw/zinc/00/81/03/1071008103.db2.gz OJBWYVJRCAXHFX-LLGFUMIMSA-N 0 3 436.557 0.582 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001519116217 1071008562 /nfs/dbraw/zinc/00/85/62/1071008562.db2.gz OJBWYVJRCAXHFX-WWMYMODYSA-N 0 3 436.557 0.582 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001519116218 1071007852 /nfs/dbraw/zinc/00/78/52/1071007852.db2.gz OJBWYVJRCAXHFX-XGHQBKJUSA-N 0 3 436.557 0.582 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001519116980 1071009001 /nfs/dbraw/zinc/00/90/01/1071009001.db2.gz PPRVHWNFQSLYDK-GOSISDBHSA-N 0 3 430.557 0.785 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001519116990 1071009529 /nfs/dbraw/zinc/00/95/29/1071009529.db2.gz PPRVHWNFQSLYDK-SFHVURJKSA-N 0 3 430.557 0.785 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001519117002 1071009672 /nfs/dbraw/zinc/00/96/72/1071009672.db2.gz PYFOGJXBVHCDBK-GOSISDBHSA-N 0 3 437.589 0.308 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001519117004 1071008951 /nfs/dbraw/zinc/00/89/51/1071008951.db2.gz PYFOGJXBVHCDBK-SFHVURJKSA-N 0 3 437.589 0.308 20 0 ICADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001519117138 1071009466 /nfs/dbraw/zinc/00/94/66/1071009466.db2.gz QUONDKWUJNJQAE-UHFFFAOYSA-N 0 3 428.603 0.986 20 0 ICADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001519117405 1071009404 /nfs/dbraw/zinc/00/94/04/1071009404.db2.gz ROLPEOPXLDTSHH-INIZCTEOSA-N 0 3 431.545 0.656 20 0 ICADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001519117409 1071009960 /nfs/dbraw/zinc/00/99/60/1071009960.db2.gz ROLPEOPXLDTSHH-MRXNPFEDSA-N 0 3 431.545 0.656 20 0 ICADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001519117801 1071011144 /nfs/dbraw/zinc/01/11/44/1071011144.db2.gz SYQRDFRILPDPBL-NRFANRHFSA-N 0 3 433.557 0.938 20 0 ICADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001519117804 1071010432 /nfs/dbraw/zinc/01/04/32/1071010432.db2.gz SYQRDFRILPDPBL-OAQYLSRUSA-N 0 3 433.557 0.938 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001519117858 1071010375 /nfs/dbraw/zinc/01/03/75/1071010375.db2.gz UHDSVNGKEWQDDV-CYBMUJFWSA-N 0 3 434.463 0.701 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001519117860 1071010198 /nfs/dbraw/zinc/01/01/98/1071010198.db2.gz UHDSVNGKEWQDDV-ZDUSSCGKSA-N 0 3 434.463 0.701 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001519118123 1071010495 /nfs/dbraw/zinc/01/04/95/1071010495.db2.gz UYZRGYNJOJSPJB-DLBZAZTESA-N 0 3 444.602 0.568 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001519118124 1071010720 /nfs/dbraw/zinc/01/07/20/1071010720.db2.gz UYZRGYNJOJSPJB-IRXDYDNUSA-N 0 3 444.602 0.568 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001519118254 1071010133 /nfs/dbraw/zinc/01/01/33/1071010133.db2.gz VUNNVWOWOAUWOV-AWEZNQCLSA-N 0 3 433.479 0.492 20 0 ICADHN COCCN(C)CCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001519118272 1071010305 /nfs/dbraw/zinc/01/03/05/1071010305.db2.gz RWCMPKXGTCELKQ-UHFFFAOYSA-N 0 3 440.545 0.815 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001519118278 1071010253 /nfs/dbraw/zinc/01/02/53/1071010253.db2.gz VUNNVWOWOAUWOV-CQSZACIVSA-N 0 3 433.479 0.492 20 0 ICADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001519119109 1071011201 /nfs/dbraw/zinc/01/12/01/1071011201.db2.gz CGAASJSKDXTBKO-UHFFFAOYSA-N 0 3 438.536 0.499 20 0 ICADHN COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001519119176 1071012232 /nfs/dbraw/zinc/01/22/32/1071012232.db2.gz DGFLIJCWFCZWNN-UHFFFAOYSA-N 0 3 437.589 0.629 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001519119589 1071012286 /nfs/dbraw/zinc/01/22/86/1071012286.db2.gz YJYCELQALNACPV-INIZCTEOSA-N 0 3 431.541 0.407 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001519119596 1071011852 /nfs/dbraw/zinc/01/18/52/1071011852.db2.gz YJYCELQALNACPV-MRXNPFEDSA-N 0 3 431.541 0.407 20 0 ICADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001519120041 1071011375 /nfs/dbraw/zinc/01/13/75/1071011375.db2.gz GAMTUYMEBDRDPT-MJGOQNOKSA-N 0 3 427.553 0.805 20 0 ICADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001519121277 1071011488 /nfs/dbraw/zinc/01/14/88/1071011488.db2.gz OIFHFVQHXISMLL-UHFFFAOYSA-N 0 3 438.536 0.499 20 0 ICADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001519121990 1071011960 /nfs/dbraw/zinc/01/19/60/1071011960.db2.gz HGKUUBMUVBGBRI-GOSISDBHSA-N 0 3 446.556 0.290 20 0 ICADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001519121993 1071011634 /nfs/dbraw/zinc/01/16/34/1071011634.db2.gz HGKUUBMUVBGBRI-SFHVURJKSA-N 0 3 446.556 0.290 20 0 ICADHN COCCN(C)CCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001519122382 1071012462 /nfs/dbraw/zinc/01/24/62/1071012462.db2.gz VNXPXIOVXIAGTP-GOSISDBHSA-N 0 3 440.614 0.813 20 0 ICADHN COCCN(C)CCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001519122384 1071012758 /nfs/dbraw/zinc/01/27/58/1071012758.db2.gz VNXPXIOVXIAGTP-SFHVURJKSA-N 0 3 440.614 0.813 20 0 ICADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C ZINC001519122462 1071013042 /nfs/dbraw/zinc/01/30/42/1071013042.db2.gz LHIOHGCQUKHVTC-INIZCTEOSA-N 0 3 431.545 0.449 20 0 ICADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C ZINC001519122463 1071012710 /nfs/dbraw/zinc/01/27/10/1071012710.db2.gz LHIOHGCQUKHVTC-MRXNPFEDSA-N 0 3 431.545 0.449 20 0 ICADHN COCCN(C)CCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C ZINC001519122514 1071012590 /nfs/dbraw/zinc/01/25/90/1071012590.db2.gz LUNSBMOGSZZTEL-NRFANRHFSA-N 0 3 435.573 0.968 20 0 ICADHN COCCN(C)CCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C ZINC001519122518 1071013109 /nfs/dbraw/zinc/01/31/09/1071013109.db2.gz LUNSBMOGSZZTEL-OAQYLSRUSA-N 0 3 435.573 0.968 20 0 ICADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001519122584 1071012404 /nfs/dbraw/zinc/01/24/04/1071012404.db2.gz XJHCDUUPHBWHIQ-MOPGFXCFSA-N 0 3 427.553 0.805 20 0 ICADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001519123141 1071013343 /nfs/dbraw/zinc/01/33/43/1071013343.db2.gz OVAKZARROJVJMT-GASCZTMLSA-N 0 3 436.538 0.409 20 0 ICADHN COCCN(C)CCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001519123481 1071013292 /nfs/dbraw/zinc/01/32/92/1071013292.db2.gz SHNKPWAIIVOUKF-HNNXBMFYSA-N 0 3 433.561 0.686 20 0 ICADHN COCCN(C)CCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001519123486 1071013226 /nfs/dbraw/zinc/01/32/26/1071013226.db2.gz SHNKPWAIIVOUKF-OAHLLOKOSA-N 0 3 433.561 0.686 20 0 ICADHN COCCN(C)CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001519123688 1071013170 /nfs/dbraw/zinc/01/31/70/1071013170.db2.gz TZENOJNJGJKSES-UHFFFAOYSA-N 0 3 437.589 0.728 20 0 ICADHN COCCN(C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001519123689 1071012654 /nfs/dbraw/zinc/01/26/54/1071012654.db2.gz UBSQCBAFDSOKTH-GOSISDBHSA-N 0 3 443.552 0.958 20 0 ICADHN COCCN(C)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001519123695 1071012988 /nfs/dbraw/zinc/01/29/88/1071012988.db2.gz UBSQCBAFDSOKTH-SFHVURJKSA-N 0 3 443.552 0.958 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001519192853 1071020919 /nfs/dbraw/zinc/02/09/19/1071020919.db2.gz FPGZNTCUTVVYDZ-IBGZPJMESA-N 0 3 449.600 0.129 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001519192854 1071020685 /nfs/dbraw/zinc/02/06/85/1071020685.db2.gz FPGZNTCUTVVYDZ-LJQANCHMSA-N 0 3 449.600 0.129 20 0 ICADHN COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)CC2)CC1=O ZINC001519194489 1071021870 /nfs/dbraw/zinc/02/18/70/1071021870.db2.gz OTIPOLSSGZFGCL-GOSISDBHSA-N 0 3 444.584 0.952 20 0 ICADHN COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)CC2)CC1=O ZINC001519194496 1071022203 /nfs/dbraw/zinc/02/22/03/1071022203.db2.gz OTIPOLSSGZFGCL-SFHVURJKSA-N 0 3 444.584 0.952 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001519195574 1071022721 /nfs/dbraw/zinc/02/27/21/1071022721.db2.gz JUNINXCKOLFRPE-HNNXBMFYSA-N 0 3 431.545 0.340 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001519195582 1071023182 /nfs/dbraw/zinc/02/31/82/1071023182.db2.gz JUNINXCKOLFRPE-OAHLLOKOSA-N 0 3 431.545 0.340 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2ccnc2C)C[C@@H]1C ZINC001519196249 1071023834 /nfs/dbraw/zinc/02/38/34/1071023834.db2.gz KPKHSSGZTMUJFV-KRWDZBQOSA-N 0 3 430.557 0.876 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2ccnc2C)C[C@H]1C ZINC001519196251 1071023683 /nfs/dbraw/zinc/02/36/83/1071023683.db2.gz KPKHSSGZTMUJFV-QGZVFWFLSA-N 0 3 430.557 0.876 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001519206962 1071027654 /nfs/dbraw/zinc/02/76/54/1071027654.db2.gz FMSOKQRDVRWEDZ-FQEVSTJZSA-N 0 3 446.600 0.804 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001519206964 1071027917 /nfs/dbraw/zinc/02/79/17/1071027917.db2.gz FMSOKQRDVRWEDZ-HXUWFJFHSA-N 0 3 446.600 0.804 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001519209340 1071028436 /nfs/dbraw/zinc/02/84/36/1071028436.db2.gz NZOKWHKGMXMTRA-GOSISDBHSA-N 0 3 446.600 0.946 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001519209343 1071028349 /nfs/dbraw/zinc/02/83/49/1071028349.db2.gz NZOKWHKGMXMTRA-SFHVURJKSA-N 0 3 446.600 0.946 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001519209389 1071028552 /nfs/dbraw/zinc/02/85/52/1071028552.db2.gz OITNBELCDZYZOE-KDURUIRLSA-N 0 3 446.600 0.946 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001519209390 1071028518 /nfs/dbraw/zinc/02/85/18/1071028518.db2.gz OITNBELCDZYZOE-OALUTQOASA-N 0 3 446.600 0.946 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001519209392 1071028393 /nfs/dbraw/zinc/02/83/93/1071028393.db2.gz OITNBELCDZYZOE-RTBURBONSA-N 0 3 446.600 0.946 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001519210530 1071028992 /nfs/dbraw/zinc/02/89/92/1071028992.db2.gz UJCDKTFSARNAJM-GOSISDBHSA-N 0 3 446.600 0.946 20 0 ICADHN COCCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001519210531 1071029110 /nfs/dbraw/zinc/02/91/10/1071029110.db2.gz UJCDKTFSARNAJM-SFHVURJKSA-N 0 3 446.600 0.946 20 0 ICADHN COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001519230338 1071039564 /nfs/dbraw/zinc/03/95/64/1071039564.db2.gz ADRALDJMTMNTNB-HKUYNNGSSA-N 0 3 435.617 0.980 20 0 ICADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001519230339 1071039455 /nfs/dbraw/zinc/03/94/55/1071039455.db2.gz ADRALDJMTMNTNB-IEBWSBKVSA-N 0 3 435.617 0.980 20 0 ICADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001519230340 1071039308 /nfs/dbraw/zinc/03/93/08/1071039308.db2.gz ADRALDJMTMNTNB-MJGOQNOKSA-N 0 3 435.617 0.980 20 0 ICADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001519230342 1071039596 /nfs/dbraw/zinc/03/95/96/1071039596.db2.gz ADRALDJMTMNTNB-PKOBYXMFSA-N 0 3 435.617 0.980 20 0 ICADHN COCCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001519237140 1071041236 /nfs/dbraw/zinc/04/12/36/1071041236.db2.gz LBHOXXDXJWUQGK-IBGZPJMESA-N 0 3 449.600 0.508 20 0 ICADHN COCCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001519237142 1071040988 /nfs/dbraw/zinc/04/09/88/1071040988.db2.gz LBHOXXDXJWUQGK-LJQANCHMSA-N 0 3 449.600 0.508 20 0 ICADHN COCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC=CCC2)CC1 ZINC001519244247 1071044630 /nfs/dbraw/zinc/04/46/30/1071044630.db2.gz QPYKBPLNMUXQQT-UHFFFAOYSA-N 0 3 442.568 0.920 20 0 ICADHN COCCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CC=CCC2)CC1 ZINC001519245053 1071045139 /nfs/dbraw/zinc/04/51/39/1071045139.db2.gz VIDLOQXYKBTGNG-UHFFFAOYSA-N 0 3 442.568 0.420 20 0 ICADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)N(C)C ZINC001519319762 1071054896 /nfs/dbraw/zinc/05/48/96/1071054896.db2.gz NNSDFOBUQJPGRO-DLBZAZTESA-N 0 3 438.573 0.780 20 0 ICADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)N(C)C ZINC001519319763 1071055015 /nfs/dbraw/zinc/05/50/15/1071055015.db2.gz NNSDFOBUQJPGRO-IRXDYDNUSA-N 0 3 438.573 0.780 20 0 ICADHN COCCO[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CCCN1CCC(O)CC1 ZINC001519335095 1071060779 /nfs/dbraw/zinc/06/07/79/1071060779.db2.gz MHPJQWVVRFTAIP-INIZCTEOSA-N 0 3 429.587 0.418 20 0 ICADHN COCCO[C@H](C)c1nnc(N2CCS(=O)CC2)n1CCCN1CCC(O)CC1 ZINC001519335100 1071060641 /nfs/dbraw/zinc/06/06/41/1071060641.db2.gz MHPJQWVVRFTAIP-MRXNPFEDSA-N 0 3 429.587 0.418 20 0 ICADHN COCCO[C@@H](C)c1nnc(N2CCS(=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001519336410 1071060810 /nfs/dbraw/zinc/06/08/10/1071060810.db2.gz OWFOOBTVVBVBFL-KRWDZBQOSA-N 0 3 442.630 0.597 20 0 ICADHN COCCO[C@H](C)c1nnc(N2CCS(=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001519336411 1071060603 /nfs/dbraw/zinc/06/06/03/1071060603.db2.gz OWFOOBTVVBVBFL-QGZVFWFLSA-N 0 3 442.630 0.597 20 0 ICADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCN2CCOCC2)n1CCc1nnc(C)[nH]1 ZINC001519419918 1071078092 /nfs/dbraw/zinc/07/80/92/1071078092.db2.gz QJIMJWMSSOXQMA-WMZOPIPTSA-N 0 3 434.545 0.440 20 0 ICADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001519443179 1071082531 /nfs/dbraw/zinc/08/25/31/1071082531.db2.gz QRQDBNRUJBXPGR-HKUYNNGSSA-N 0 3 449.600 0.307 20 0 ICADHN CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001519523570 1071107420 /nfs/dbraw/zinc/10/74/20/1071107420.db2.gz GLXALORDKOHDGI-UHFFFAOYSA-N 0 3 435.554 0.062 20 0 ICADHN CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001519526773 1071110714 /nfs/dbraw/zinc/11/07/14/1071110714.db2.gz UUZHMKIALQIGNE-GOSISDBHSA-N 0 3 441.598 0.765 20 0 ICADHN CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001519526776 1071110501 /nfs/dbraw/zinc/11/05/01/1071110501.db2.gz UUZHMKIALQIGNE-SFHVURJKSA-N 0 3 441.598 0.765 20 0 ICADHN CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001519531396 1071117484 /nfs/dbraw/zinc/11/74/84/1071117484.db2.gz POWVIEDZRCZMMM-UHFFFAOYSA-N 0 3 441.598 0.765 20 0 ICADHN CS(=O)(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)CC1 ZINC001519548805 1071124634 /nfs/dbraw/zinc/12/46/34/1071124634.db2.gz RJNNEMHTNRNNCX-UHFFFAOYSA-N 0 3 431.566 0.607 20 0 ICADHN CS(=O)(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)CC1 ZINC001519586064 1071133314 /nfs/dbraw/zinc/13/33/14/1071133314.db2.gz QSHGRVNLXLLAFA-UHFFFAOYSA-N 0 3 446.581 0.763 20 0 ICADHN CS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001519592841 1071134098 /nfs/dbraw/zinc/13/40/98/1071134098.db2.gz FPSMYLURYFHHAP-KRWDZBQOSA-N 0 3 449.581 0.438 20 0 ICADHN CS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001519592846 1071134154 /nfs/dbraw/zinc/13/41/54/1071134154.db2.gz FPSMYLURYFHHAP-QGZVFWFLSA-N 0 3 449.581 0.438 20 0 ICADHN CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001519599613 1071135616 /nfs/dbraw/zinc/13/56/16/1071135616.db2.gz LCGHEGTWGIMTEJ-UHFFFAOYSA-N 0 3 440.614 0.719 20 0 ICADHN CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001519612253 1071139026 /nfs/dbraw/zinc/13/90/26/1071139026.db2.gz AGKUFAWHEWBCND-UHFFFAOYSA-N 0 3 435.554 0.190 20 0 ICADHN CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001519613059 1071140100 /nfs/dbraw/zinc/14/01/00/1071140100.db2.gz IEPUQQDYIBGUML-UHFFFAOYSA-N 0 3 449.581 0.438 20 0 ICADHN CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001519613100 1071140059 /nfs/dbraw/zinc/14/00/59/1071140059.db2.gz IRMAXAGUIKEEBV-UHFFFAOYSA-N 0 3 449.581 0.438 20 0 ICADHN CS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001519614025 1071140844 /nfs/dbraw/zinc/14/08/44/1071140844.db2.gz QKHNUNLHMIZFGO-INIZCTEOSA-N 0 3 426.587 0.786 20 0 ICADHN CS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001519614027 1071140979 /nfs/dbraw/zinc/14/09/79/1071140979.db2.gz QKHNUNLHMIZFGO-MRXNPFEDSA-N 0 3 426.587 0.786 20 0 ICADHN CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001519619812 1071142245 /nfs/dbraw/zinc/14/22/45/1071142245.db2.gz DRONTZGUQBSABJ-UHFFFAOYSA-N 0 3 449.581 0.114 20 0 ICADHN CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001519620621 1071143294 /nfs/dbraw/zinc/14/32/94/1071143294.db2.gz TYKUPXSLVXYZRM-QGZVFWFLSA-N 0 3 442.586 0.227 20 0 ICADHN CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001519620646 1071144027 /nfs/dbraw/zinc/14/40/27/1071144027.db2.gz UGZPVYHHPJCWBJ-UHFFFAOYSA-N 0 3 439.586 0.014 20 0 ICADHN CCCN1CCN(c2ccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c(OCC)c2)CC1 ZINC001520004093 1071151614 /nfs/dbraw/zinc/15/16/14/1071151614.db2.gz JVHBFMFVPHIBHP-KRWDZBQOSA-N 0 3 438.550 0.469 20 0 ICADHN CN1CCN(Cc2cccc(CNC(=O)NCCCN3C(=O)NC(C)(C)C3=O)c2)CC1 ZINC001520696621 1071162437 /nfs/dbraw/zinc/16/24/37/1071162437.db2.gz ROKHFPBANHKZPL-UHFFFAOYSA-N 0 3 430.553 0.954 20 0 ICADHN C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)CCN1S(C)(=O)=O ZINC001520774232 1071165192 /nfs/dbraw/zinc/16/51/92/1071165192.db2.gz NOPOQZRVLZGXBP-INIZCTEOSA-N 0 3 432.554 0.467 20 0 ICADHN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)CCN1S(C)(=O)=O ZINC001520802345 1071167575 /nfs/dbraw/zinc/16/75/75/1071167575.db2.gz MHGZRQMSVAROQL-SFHVURJKSA-N 0 3 445.593 0.996 20 0 ICADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)F ZINC001520822495 1071168613 /nfs/dbraw/zinc/16/86/13/1071168613.db2.gz QTDMDPJOMHTDEB-GJZGRUSLSA-N 0 3 442.511 0.853 20 0 ICADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)F ZINC001520822496 1071168694 /nfs/dbraw/zinc/16/86/94/1071168694.db2.gz QTDMDPJOMHTDEB-LSDHHAIUSA-N 0 3 442.511 0.853 20 0 ICADHN CN(C(=O)c1[nH]ncc1Br)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001520856284 1071171723 /nfs/dbraw/zinc/17/17/23/1071171723.db2.gz MPCDGQFZKXEZBD-UHFFFAOYSA-N 0 3 427.347 0.483 20 0 ICADHN O=C(Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1)NCC(F)F ZINC001521336994 1071194747 /nfs/dbraw/zinc/19/47/47/1071194747.db2.gz PKGFKTZXWHHRDU-INIZCTEOSA-N 0 3 442.511 0.712 20 0 ICADHN O=C(Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1)NCC(F)F ZINC001521336995 1071194776 /nfs/dbraw/zinc/19/47/76/1071194776.db2.gz PKGFKTZXWHHRDU-MRXNPFEDSA-N 0 3 442.511 0.712 20 0 ICADHN O=C(Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1)NCC(F)F ZINC001521337504 1071194862 /nfs/dbraw/zinc/19/48/62/1071194862.db2.gz SCJOCYVWYBWQMP-AWEZNQCLSA-N 0 3 428.484 0.464 20 0 ICADHN O=C(Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1)NCC(F)F ZINC001521337509 1071194814 /nfs/dbraw/zinc/19/48/14/1071194814.db2.gz SCJOCYVWYBWQMP-CQSZACIVSA-N 0 3 428.484 0.464 20 0 ICADHN O=C(Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1)NCC(F)F ZINC001521346723 1071195567 /nfs/dbraw/zinc/19/55/67/1071195567.db2.gz USKSRVBQVAFUMR-UHFFFAOYSA-N 0 3 449.506 0.946 20 0 ICADHN O=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCC2)CC1)NCC(F)F ZINC001521351978 1071196317 /nfs/dbraw/zinc/19/63/17/1071196317.db2.gz AEQLCUBZKLCMTM-UHFFFAOYSA-N 0 3 439.511 0.846 20 0 ICADHN O=C(CN1CCCC1)N1CCN(c2nnc(-c3ccc[nH]3)n2CCOCCCO)CC1 ZINC001521352443 1071196248 /nfs/dbraw/zinc/19/62/48/1071196248.db2.gz JHWSWLIVYSWBTJ-UHFFFAOYSA-N 0 3 431.541 0.417 20 0 ICADHN O=C(Nc1ccccn1)c1nnc(N2CCC(CO)CC2)n1C[C@H]1CCCN1CCCO ZINC001521359966 1071197160 /nfs/dbraw/zinc/19/71/60/1071197160.db2.gz SDJNJHRNOAVJGN-GOSISDBHSA-N 0 3 443.552 0.981 20 0 ICADHN O=C(Nc1ccccn1)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1CCCN1CCCO ZINC001521359969 1071197196 /nfs/dbraw/zinc/19/71/96/1071197196.db2.gz SDJNJHRNOAVJGN-SFHVURJKSA-N 0 3 443.552 0.981 20 0 ICADHN C[C@@H](C(=O)Nc1ccc(=O)n(CCN(C)C)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001521370145 1071197190 /nfs/dbraw/zinc/19/71/90/1071197190.db2.gz TZDQEILKIVDYNF-HNNXBMFYSA-N 0 3 435.525 0.816 20 0 ICADHN C[C@H](C(=O)Nc1ccc(=O)n(CCN(C)C)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001521370146 1071197210 /nfs/dbraw/zinc/19/72/10/1071197210.db2.gz TZDQEILKIVDYNF-OAHLLOKOSA-N 0 3 435.525 0.816 20 0 ICADHN Cn1nc2c(c1C(=O)Nc1ccc(C(=O)NCCN3CCCC3)cc1)CS(=O)(=O)CC2 ZINC001521555744 1071208847 /nfs/dbraw/zinc/20/88/47/1071208847.db2.gz HIJIMVBNIKIMEE-UHFFFAOYSA-N 0 3 445.545 0.969 20 0 ICADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001521557346 1071209829 /nfs/dbraw/zinc/20/98/29/1071209829.db2.gz XYKSWGLRLZWHGB-INIZCTEOSA-N 0 3 427.465 0.464 20 0 ICADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001521557351 1071209637 /nfs/dbraw/zinc/20/96/37/1071209637.db2.gz XYKSWGLRLZWHGB-MRXNPFEDSA-N 0 3 427.465 0.464 20 0 ICADHN CN1CCn2nc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)cc2S1(=O)=O ZINC001522021269 1071218808 /nfs/dbraw/zinc/21/88/08/1071218808.db2.gz CTFZNUVJKKLBOG-KRWDZBQOSA-N 0 3 433.534 0.538 20 0 ICADHN CN1CCn2nc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)cc2S1(=O)=O ZINC001522021271 1071218597 /nfs/dbraw/zinc/21/85/97/1071218597.db2.gz CTFZNUVJKKLBOG-QGZVFWFLSA-N 0 3 433.534 0.538 20 0 ICADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1 ZINC001522058531 1071219423 /nfs/dbraw/zinc/21/94/23/1071219423.db2.gz REMPVUQWLSDAOV-GOSISDBHSA-N 0 3 441.492 0.739 20 0 ICADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1 ZINC001522058533 1071219383 /nfs/dbraw/zinc/21/93/83/1071219383.db2.gz REMPVUQWLSDAOV-SFHVURJKSA-N 0 3 441.492 0.739 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3C[C@H]4CCN(C)[C@H]4C3)ccc2F)CC1 ZINC001522272344 1071220714 /nfs/dbraw/zinc/22/07/14/1071220714.db2.gz FLIYNSFKSZBTLI-AEFFLSMTSA-N 0 3 438.525 0.455 20 0 ICADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1OC ZINC001522272706 1071220938 /nfs/dbraw/zinc/22/09/38/1071220938.db2.gz VLBBJONJLDRKMP-PBHICJAKSA-N 0 3 439.534 0.501 20 0 ICADHN C[C@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432082 1071231111 /nfs/dbraw/zinc/23/11/11/1071231111.db2.gz MIKSKYKYLQNUIL-DLBZAZTESA-N 0 3 425.574 0.596 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432084 1071231808 /nfs/dbraw/zinc/23/18/08/1071231808.db2.gz MIKSKYKYLQNUIL-IAGOWNOFSA-N 0 3 425.574 0.596 20 0 ICADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432086 1071232151 /nfs/dbraw/zinc/23/21/51/1071232151.db2.gz MIKSKYKYLQNUIL-IRXDYDNUSA-N 0 3 425.574 0.596 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001523432090 1071231844 /nfs/dbraw/zinc/23/18/44/1071231844.db2.gz MIKSKYKYLQNUIL-SJORKVTESA-N 0 3 425.574 0.596 20 0 ICADHN CCN1CCN(CC(C)(C)NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 ZINC001525661417 1071266471 /nfs/dbraw/zinc/26/64/71/1071266471.db2.gz IZVGYWFESMVXTH-UHFFFAOYSA-N 0 3 429.569 0.910 20 0 ICADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001526286736 1071277545 /nfs/dbraw/zinc/27/75/45/1071277545.db2.gz BYLMSOYJQFKUSX-APWZRJJASA-N 0 3 436.578 0.798 20 0 ICADHN O=C(CN1CCCCS1(=O)=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001527058430 1071292495 /nfs/dbraw/zinc/29/24/95/1071292495.db2.gz JEYCDHJKKYVGBQ-IBGZPJMESA-N 0 3 435.594 0.868 20 0 ICADHN O=C(CN1CCCCS1(=O)=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001527058435 1071292467 /nfs/dbraw/zinc/29/24/67/1071292467.db2.gz JEYCDHJKKYVGBQ-LJQANCHMSA-N 0 3 435.594 0.868 20 0 ICADHN CN(C)CCN1CCN(C(=O)COc2cccc(I)c2)CC1=O ZINC001527480421 1071299199 /nfs/dbraw/zinc/29/91/99/1071299199.db2.gz CLOZTVLOMQGSSW-UHFFFAOYSA-N 0 3 431.274 0.902 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1=O ZINC001527480482 1071299403 /nfs/dbraw/zinc/29/94/03/1071299403.db2.gz FTHVUPJJPNZCPK-IBGZPJMESA-N 0 3 430.549 0.927 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1=O ZINC001527480483 1071299313 /nfs/dbraw/zinc/29/93/13/1071299313.db2.gz FTHVUPJJPNZCPK-LJQANCHMSA-N 0 3 430.549 0.927 20 0 ICADHN COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(CCN(C)C)C(=O)C3)n2)cc1 ZINC001527480562 1071299335 /nfs/dbraw/zinc/29/93/35/1071299335.db2.gz IPPNJWOGXGQZQE-UHFFFAOYSA-N 0 3 430.509 0.447 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1=O ZINC001527480576 1071299364 /nfs/dbraw/zinc/29/93/64/1071299364.db2.gz JEZFLLFCMUEJEU-UHFFFAOYSA-N 0 3 442.969 0.971 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001527480623 1071299346 /nfs/dbraw/zinc/29/93/46/1071299346.db2.gz KLZKSEIBRQULRK-UHFFFAOYSA-N 0 3 438.594 0.882 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1=O ZINC001527480713 1071299290 /nfs/dbraw/zinc/29/92/90/1071299290.db2.gz OCAKZZLJYIGDPZ-UHFFFAOYSA-N 0 3 439.534 0.244 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1=O ZINC001527480836 1071299420 /nfs/dbraw/zinc/29/94/20/1071299420.db2.gz RDIVRXBBMSWHFF-UHFFFAOYSA-N 0 3 432.340 0.699 20 0 ICADHN CN(C)CCN1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1=O ZINC001527480910 1071299376 /nfs/dbraw/zinc/29/93/76/1071299376.db2.gz SJJQGUIORCZQPX-UHFFFAOYSA-N 0 3 431.356 0.815 20 0 ICADHN CN(C)CCN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1=O ZINC001527480959 1071299225 /nfs/dbraw/zinc/29/92/25/1071299225.db2.gz TYANYSYARXNRTB-UHFFFAOYSA-N 0 3 436.310 0.391 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1=O ZINC001527481052 1071300136 /nfs/dbraw/zinc/30/01/36/1071300136.db2.gz XDAFCJBEMAAWET-UHFFFAOYSA-N 0 3 425.287 0.528 20 0 ICADHN NC(=O)Cn1cc(C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)nn1 ZINC001527660335 1071300564 /nfs/dbraw/zinc/30/05/64/1071300564.db2.gz KXHPZTOFYNYDCJ-UHFFFAOYSA-N 0 3 431.928 0.844 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC001528265951 1071312108 /nfs/dbraw/zinc/31/21/08/1071312108.db2.gz MGLUVHOICDCGTK-UHFFFAOYSA-N 0 3 441.326 0.653 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC001528267115 1071311846 /nfs/dbraw/zinc/31/18/46/1071311846.db2.gz WHGOKQXUYCRQJR-UHFFFAOYSA-N 0 3 427.303 0.774 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001528267703 1071311962 /nfs/dbraw/zinc/31/19/62/1071311962.db2.gz ZSYZZTJEOMIXRH-INIZCTEOSA-N 0 3 442.557 0.705 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001528267707 1071311802 /nfs/dbraw/zinc/31/18/02/1071311802.db2.gz ZSYZZTJEOMIXRH-MRXNPFEDSA-N 0 3 442.557 0.705 20 0 ICADHN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC001529165006 1071324611 /nfs/dbraw/zinc/32/46/11/1071324611.db2.gz DCGQNXCSTXLRDN-GOSISDBHSA-N 0 3 440.504 0.457 20 0 ICADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC001529165007 1071324730 /nfs/dbraw/zinc/32/47/30/1071324730.db2.gz DCGQNXCSTXLRDN-SFHVURJKSA-N 0 3 440.504 0.457 20 0 ICADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)C[C@@H]2CCCN2C)c1OC ZINC001529498459 1071330280 /nfs/dbraw/zinc/33/02/80/1071330280.db2.gz OSIPQZIJOKIJQR-HNNXBMFYSA-N 0 3 441.550 0.891 20 0 ICADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)C[C@H]2CCCN2C)c1OC ZINC001529498461 1071330234 /nfs/dbraw/zinc/33/02/34/1071330234.db2.gz OSIPQZIJOKIJQR-OAHLLOKOSA-N 0 3 441.550 0.891 20 0 ICADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001529590872 1071332077 /nfs/dbraw/zinc/33/20/77/1071332077.db2.gz LCJGAZWFTOCDJT-INIZCTEOSA-N 0 3 438.532 0.972 20 0 ICADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001529590873 1071331851 /nfs/dbraw/zinc/33/18/51/1071331851.db2.gz LCJGAZWFTOCDJT-MRXNPFEDSA-N 0 3 438.532 0.972 20 0 ICADHN CC(C)N(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001529946305 1071336935 /nfs/dbraw/zinc/33/69/35/1071336935.db2.gz UPYNHXBVQZNTSP-GOSISDBHSA-N 0 3 438.532 0.945 20 0 ICADHN CC(C)N(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001529946306 1071336840 /nfs/dbraw/zinc/33/68/40/1071336840.db2.gz UPYNHXBVQZNTSP-SFHVURJKSA-N 0 3 438.532 0.945 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1=O ZINC001530760499 1071348195 /nfs/dbraw/zinc/34/81/95/1071348195.db2.gz AOTPNAPVVSHFND-UHFFFAOYSA-N 0 3 428.530 0.459 20 0 ICADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1OC ZINC001530761025 1071348722 /nfs/dbraw/zinc/34/87/22/1071348722.db2.gz GOHALXUCVMRPMZ-UHFFFAOYSA-N 0 3 440.566 0.572 20 0 ICADHN CN(C)CCN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1=O ZINC001530762872 1071348910 /nfs/dbraw/zinc/34/89/10/1071348910.db2.gz UTFFLEVNNQOESH-UHFFFAOYSA-N 0 3 439.310 0.407 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1=O ZINC001530764268 1071348928 /nfs/dbraw/zinc/34/89/28/1071348928.db2.gz XPRJSJRIAICTHP-DYESRHJHSA-N 0 3 434.537 0.949 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1=O ZINC001530764270 1071348618 /nfs/dbraw/zinc/34/86/18/1071348618.db2.gz XPRJSJRIAICTHP-LAUBAEHRSA-N 0 3 434.537 0.949 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1=O ZINC001530764272 1071348964 /nfs/dbraw/zinc/34/89/64/1071348964.db2.gz XPRJSJRIAICTHP-UTKZUKDTSA-N 0 3 434.537 0.949 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1=O ZINC001530764273 1071348792 /nfs/dbraw/zinc/34/87/92/1071348792.db2.gz XPRJSJRIAICTHP-UWJYYQICSA-N 0 3 434.537 0.949 20 0 ICADHN CO[C@@H]1C[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)N(C(=O)OCc2ccccc2)C1 ZINC001530770737 1071348583 /nfs/dbraw/zinc/34/85/83/1071348583.db2.gz BJFBSSPCOJBUTP-MOPGFXCFSA-N 0 3 432.521 0.645 20 0 ICADHN CN(C)CCN1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1=O ZINC001530770952 1071348689 /nfs/dbraw/zinc/34/86/89/1071348689.db2.gz GERLQUCPAHJTGM-UHFFFAOYSA-N 0 3 426.311 0.995 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)CC1=O ZINC001530771130 1071348876 /nfs/dbraw/zinc/34/88/76/1071348876.db2.gz IDENSJOECXAOIK-UHFFFAOYSA-N 0 3 429.489 0.995 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1=O ZINC001530771134 1071348951 /nfs/dbraw/zinc/34/89/51/1071348951.db2.gz IIRALMNEAQAVBN-UHFFFAOYSA-N 0 3 428.942 0.726 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1=O ZINC001530771345 1071348653 /nfs/dbraw/zinc/34/86/53/1071348653.db2.gz LDJKDXRTVLJVBM-UHFFFAOYSA-N 0 3 428.942 0.580 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1=O ZINC001530772327 1071348857 /nfs/dbraw/zinc/34/88/57/1071348857.db2.gz XAJFKVMGGBEQQL-UHFFFAOYSA-N 0 3 435.550 0.080 20 0 ICADHN COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1OC ZINC001530772399 1071349366 /nfs/dbraw/zinc/34/93/66/1071349366.db2.gz XUVHCQVYDAVUFL-JOCHJYFZSA-N 0 3 434.537 0.374 20 0 ICADHN CN1CCn2nc(C(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3)cc2S1(=O)=O ZINC001531084789 1071353954 /nfs/dbraw/zinc/35/39/54/1071353954.db2.gz FNHSFDQDJHYFHY-UHFFFAOYSA-N 0 3 446.533 0.595 20 0 ICADHN CSCC[C@@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001531292730 1071357397 /nfs/dbraw/zinc/35/73/97/1071357397.db2.gz AVLLDOPFZBHXGK-BBWFWOEESA-N 0 3 438.594 0.516 20 0 ICADHN CSCC[C@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001531292731 1071357586 /nfs/dbraw/zinc/35/75/86/1071357586.db2.gz AVLLDOPFZBHXGK-BRWVUGGUSA-N 0 3 438.594 0.516 20 0 ICADHN CSCC[C@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001531292732 1071357729 /nfs/dbraw/zinc/35/77/29/1071357729.db2.gz AVLLDOPFZBHXGK-IXDOHACOSA-N 0 3 438.594 0.516 20 0 ICADHN CSCC[C@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001531292733 1071358189 /nfs/dbraw/zinc/35/81/89/1071358189.db2.gz AVLLDOPFZBHXGK-YESZJQIVSA-N 0 3 438.594 0.516 20 0 ICADHN CO[C@@H]1C[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)N(C(=O)OCc2ccccc2)C1 ZINC001531292746 1071358221 /nfs/dbraw/zinc/35/82/21/1071358221.db2.gz BJFBSSPCOJBUTP-RTBURBONSA-N 0 3 432.521 0.645 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCN(C)C)C(=O)C3)C2)s1 ZINC001531292786 1071358091 /nfs/dbraw/zinc/35/80/91/1071358091.db2.gz CAEBEWPDCGOGLA-INIZCTEOSA-N 0 3 442.607 0.690 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCN(C)C)C(=O)C3)C2)s1 ZINC001531292788 1071358004 /nfs/dbraw/zinc/35/80/04/1071358004.db2.gz CAEBEWPDCGOGLA-MRXNPFEDSA-N 0 3 442.607 0.690 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1=O ZINC001531292797 1071358308 /nfs/dbraw/zinc/35/83/08/1071358308.db2.gz CCJUENVXRRSVGL-UHFFFAOYSA-N 0 3 428.580 0.769 20 0 ICADHN CN(C)CCN1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1=O ZINC001531293291 1071358412 /nfs/dbraw/zinc/35/84/12/1071358412.db2.gz GTZPAUUKNUMAEB-UHFFFAOYSA-N 0 3 426.464 0.478 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)CC1=O ZINC001531294623 1071358036 /nfs/dbraw/zinc/35/80/36/1071358036.db2.gz QQQIVWOKPGFNJF-UHFFFAOYSA-N 0 3 425.551 0.872 20 0 ICADHN CN(C)CCN1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1=O ZINC001531294642 1071358251 /nfs/dbraw/zinc/35/82/51/1071358251.db2.gz RMPVOWDBUCEIKD-UHFFFAOYSA-N 0 3 447.561 0.080 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1=O ZINC001531294976 1071358373 /nfs/dbraw/zinc/35/83/73/1071358373.db2.gz YSYPCNHTZCVRBJ-UHFFFAOYSA-N 0 3 442.969 0.971 20 0 ICADHN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCN(C)C)C(=O)C3)cc2)C1 ZINC001531295004 1071358124 /nfs/dbraw/zinc/35/81/24/1071358124.db2.gz ZTPDLGDTNZJEEG-KRWDZBQOSA-N 0 3 436.578 0.953 20 0 ICADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCN(C)C)C(=O)C3)cc2)C1 ZINC001531295005 1071358444 /nfs/dbraw/zinc/35/84/44/1071358444.db2.gz ZTPDLGDTNZJEEG-QGZVFWFLSA-N 0 3 436.578 0.953 20 0 ICADHN CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)nn1 ZINC001531373453 1071360577 /nfs/dbraw/zinc/36/05/77/1071360577.db2.gz NCIRTPFPPQRRSD-UHFFFAOYSA-N 0 3 429.525 0.635 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C2)s1 ZINC001531672069 1071368004 /nfs/dbraw/zinc/36/80/04/1071368004.db2.gz JNLXIQDPEQRQSV-INIZCTEOSA-N 0 3 444.623 0.936 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C2)s1 ZINC001531672071 1071368173 /nfs/dbraw/zinc/36/81/73/1071368173.db2.gz JNLXIQDPEQRQSV-MRXNPFEDSA-N 0 3 444.623 0.936 20 0 ICADHN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=O ZINC001531672545 1071368450 /nfs/dbraw/zinc/36/84/50/1071368450.db2.gz SDCLHXUCYZPYOY-JOCHJYFZSA-N 0 3 447.536 0.249 20 0 ICADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)N(C)C)C1=O ZINC001531672546 1071368621 /nfs/dbraw/zinc/36/86/21/1071368621.db2.gz SDCLHXUCYZPYOY-QFIPXVFZSA-N 0 3 447.536 0.249 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC001532054054 1071375649 /nfs/dbraw/zinc/37/56/49/1071375649.db2.gz AKZXXDFZEUEUNK-UHFFFAOYSA-N 0 3 428.530 0.702 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001532055136 1071375444 /nfs/dbraw/zinc/37/54/44/1071375444.db2.gz OXXPPLSBKHCRRK-UHFFFAOYSA-N 0 3 438.594 0.882 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001532055315 1071375558 /nfs/dbraw/zinc/37/55/58/1071375558.db2.gz QOXAUXSUVHBOKH-INIZCTEOSA-N 0 3 430.505 0.554 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001532055318 1071375590 /nfs/dbraw/zinc/37/55/90/1071375590.db2.gz QOXAUXSUVHBOKH-MRXNPFEDSA-N 0 3 430.505 0.554 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC001532055390 1071375359 /nfs/dbraw/zinc/37/53/59/1071375359.db2.gz QZGFSSXCGCNQFU-UHFFFAOYSA-N 0 3 439.563 0.390 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC001532055547 1071375391 /nfs/dbraw/zinc/37/53/91/1071375391.db2.gz SWVOEDBFEQKXFL-UHFFFAOYSA-N 0 3 430.958 0.826 20 0 ICADHN COCCn1cc(N2C[C@@H](C(=O)N3CC4(CCCC4)OC[C@@H]3CN(C)C)CC2=O)cn1 ZINC001532413873 1071382685 /nfs/dbraw/zinc/38/26/85/1071382685.db2.gz OUAMEHGWLLWQTC-HKUYNNGSSA-N 0 3 433.553 0.984 20 0 ICADHN COCCn1cc(N2C[C@H](C(=O)N3CC4(CCCC4)OC[C@H]3CN(C)C)CC2=O)cn1 ZINC001532413874 1071382663 /nfs/dbraw/zinc/38/26/63/1071382663.db2.gz OUAMEHGWLLWQTC-IEBWSBKVSA-N 0 3 433.553 0.984 20 0 ICADHN COCCn1cc(N2C[C@H](C(=O)N3CC4(CCCC4)OC[C@@H]3CN(C)C)CC2=O)cn1 ZINC001532413875 1071382801 /nfs/dbraw/zinc/38/28/01/1071382801.db2.gz OUAMEHGWLLWQTC-MJGOQNOKSA-N 0 3 433.553 0.984 20 0 ICADHN COCCn1cc(N2C[C@@H](C(=O)N3CC4(CCCC4)OC[C@H]3CN(C)C)CC2=O)cn1 ZINC001532413876 1071382879 /nfs/dbraw/zinc/38/28/79/1071382879.db2.gz OUAMEHGWLLWQTC-PKOBYXMFSA-N 0 3 433.553 0.984 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298162 1071394809 /nfs/dbraw/zinc/39/48/09/1071394809.db2.gz NHCCEXKPNZBOPH-AOMKIAJQSA-N 0 3 433.505 0.616 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298166 1071394861 /nfs/dbraw/zinc/39/48/61/1071394861.db2.gz NHCCEXKPNZBOPH-KSFYIVLOSA-N 0 3 433.505 0.616 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298168 1071394775 /nfs/dbraw/zinc/39/47/75/1071394775.db2.gz NHCCEXKPNZBOPH-OPAMFIHVSA-N 0 3 433.505 0.616 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC001533298170 1071394576 /nfs/dbraw/zinc/39/45/76/1071394576.db2.gz NHCCEXKPNZBOPH-ZHRRBRCNSA-N 0 3 433.505 0.616 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001533307119 1071395472 /nfs/dbraw/zinc/39/54/72/1071395472.db2.gz ANJUDLIXGXTVCX-NRFANRHFSA-N 0 3 439.578 0.336 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC001533307121 1071395426 /nfs/dbraw/zinc/39/54/26/1071395426.db2.gz ANJUDLIXGXTVCX-OAQYLSRUSA-N 0 3 439.578 0.336 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC001533307249 1071395592 /nfs/dbraw/zinc/39/55/92/1071395592.db2.gz BUEGDIPSORSDAG-DHIUTWEWSA-N 0 3 444.532 0.791 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC001533307251 1071395312 /nfs/dbraw/zinc/39/53/12/1071395312.db2.gz BUEGDIPSORSDAG-GOTSBHOMSA-N 0 3 444.532 0.791 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC001533307253 1071395685 /nfs/dbraw/zinc/39/56/85/1071395685.db2.gz BUEGDIPSORSDAG-PKTZIBPZSA-N 0 3 444.532 0.791 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC001533307256 1071395337 /nfs/dbraw/zinc/39/53/37/1071395337.db2.gz BUEGDIPSORSDAG-XZOQPEGZSA-N 0 3 444.532 0.791 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC001533308167 1071395527 /nfs/dbraw/zinc/39/55/27/1071395527.db2.gz IYAVIPMHNCVJML-GOSISDBHSA-N 0 3 449.957 0.941 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC001533308170 1071395646 /nfs/dbraw/zinc/39/56/46/1071395646.db2.gz IYAVIPMHNCVJML-SFHVURJKSA-N 0 3 449.957 0.941 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C ZINC001533308190 1071395567 /nfs/dbraw/zinc/39/55/67/1071395567.db2.gz JAHOOEJGHOYRFH-NRFANRHFSA-N 0 3 432.525 0.183 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C ZINC001533308210 1071395607 /nfs/dbraw/zinc/39/56/07/1071395607.db2.gz JAHOOEJGHOYRFH-OAQYLSRUSA-N 0 3 432.525 0.183 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC001533310022 1071395296 /nfs/dbraw/zinc/39/52/96/1071395296.db2.gz WOBLFUSRNCUDTL-JOCHJYFZSA-N 0 3 425.570 0.991 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC001533310025 1071395361 /nfs/dbraw/zinc/39/53/61/1071395361.db2.gz WOBLFUSRNCUDTL-QFIPXVFZSA-N 0 3 425.570 0.991 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC001533310221 1071395385 /nfs/dbraw/zinc/39/53/85/1071395385.db2.gz ZHWBTEOBMXIVLH-KBXCAEBGSA-N 0 3 431.580 0.393 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC001533310222 1071395491 /nfs/dbraw/zinc/39/54/91/1071395491.db2.gz ZHWBTEOBMXIVLH-KDOFPFPSSA-N 0 3 431.580 0.393 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC001533310223 1071395625 /nfs/dbraw/zinc/39/56/25/1071395625.db2.gz ZHWBTEOBMXIVLH-KSSFIOAISA-N 0 3 431.580 0.393 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC001533310224 1071395663 /nfs/dbraw/zinc/39/56/63/1071395663.db2.gz ZHWBTEOBMXIVLH-RDTXWAMCSA-N 0 3 431.580 0.393 20 0 ICADHN CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n(C)c1 ZINC001533694680 1071402068 /nfs/dbraw/zinc/40/20/68/1071402068.db2.gz DKBCTHMXJAIRMK-UHFFFAOYSA-N 0 3 425.555 0.221 20 0 ICADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC001533694862 1071402153 /nfs/dbraw/zinc/40/21/53/1071402153.db2.gz GXBLLOYBIMBWFT-UHFFFAOYSA-N 0 3 438.550 0.815 20 0 ICADHN C[C@@H](Sc1nc(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cs1)C(N)=O ZINC001533694898 1071402116 /nfs/dbraw/zinc/40/21/16/1071402116.db2.gz HZDQRZHRIOHQDO-CYBMUJFWSA-N 0 3 439.607 0.984 20 0 ICADHN C[C@H](Sc1nc(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cs1)C(N)=O ZINC001533694899 1071401997 /nfs/dbraw/zinc/40/19/97/1071401997.db2.gz HZDQRZHRIOHQDO-ZDUSSCGKSA-N 0 3 439.607 0.984 20 0 ICADHN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC001533696341 1071401883 /nfs/dbraw/zinc/40/18/83/1071401883.db2.gz VGHKNFMSCIYIMI-UHFFFAOYSA-N 0 3 436.578 0.724 20 0 ICADHN COCCn1cc(N2C[C@@H](C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2=O)cn1 ZINC001533696364 1071402014 /nfs/dbraw/zinc/40/20/14/1071402014.db2.gz VVCFSVRGZXRISS-KRWDZBQOSA-N 0 3 446.552 0.215 20 0 ICADHN COCCn1cc(N2C[C@H](C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2=O)cn1 ZINC001533696366 1071402029 /nfs/dbraw/zinc/40/20/29/1071402029.db2.gz VVCFSVRGZXRISS-QGZVFWFLSA-N 0 3 446.552 0.215 20 0 ICADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CCN(C)[C@H]3C2)o1 ZINC001533697386 1071402136 /nfs/dbraw/zinc/40/21/36/1071402136.db2.gz PTYKFOFOLRXJNA-ILXRZTDVSA-N 0 3 425.507 0.772 20 0 ICADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CCN(C)[C@H]3C2)o1 ZINC001533697387 1071401972 /nfs/dbraw/zinc/40/19/72/1071401972.db2.gz PTYKFOFOLRXJNA-KFWWJZLASA-N 0 3 425.507 0.772 20 0 ICADHN COC(=O)CCNC(=O)CCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC001535074832 1071445048 /nfs/dbraw/zinc/44/50/48/1071445048.db2.gz RBKUAPJETYHBAI-UHFFFAOYSA-N 0 3 428.493 0.363 20 0 ICADHN C[C@]1(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCS(=O)(=O)N1 ZINC001535707897 1071463481 /nfs/dbraw/zinc/46/34/81/1071463481.db2.gz FCLSRVQRZWJRSY-GHTZIAJQSA-N 0 3 435.594 0.914 20 0 ICADHN C[C@@]1(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCS(=O)(=O)N1 ZINC001535707902 1071463345 /nfs/dbraw/zinc/46/33/45/1071463345.db2.gz FCLSRVQRZWJRSY-NQIIRXRSSA-N 0 3 435.594 0.914 20 0 ICADHN C[C@@]1(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCS(=O)(=O)N1 ZINC001535707903 1071463467 /nfs/dbraw/zinc/46/34/67/1071463467.db2.gz FCLSRVQRZWJRSY-RXVVDRJESA-N 0 3 435.594 0.914 20 0 ICADHN C[C@]1(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCS(=O)(=O)N1 ZINC001535707905 1071463321 /nfs/dbraw/zinc/46/33/21/1071463321.db2.gz FCLSRVQRZWJRSY-WIYYLYMNSA-N 0 3 435.594 0.914 20 0 ICADHN CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@]3(COC)CN(C)C)cc2S1(=O)=O ZINC001536221122 1071471047 /nfs/dbraw/zinc/47/10/47/1071471047.db2.gz OXUQVVLCDIIMOF-IBGZPJMESA-N 0 3 425.507 0.270 20 0 ICADHN CCN1C(=O)c2ccc(C(=O)N3CCOC[C@]3(COC)CN(C)C)cc2S1(=O)=O ZINC001536221123 1071471074 /nfs/dbraw/zinc/47/10/74/1071471074.db2.gz OXUQVVLCDIIMOF-LJQANCHMSA-N 0 3 425.507 0.270 20 0 ICADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001536539423 1071476724 /nfs/dbraw/zinc/47/67/24/1071476724.db2.gz BYVKJDKCZHNZBD-KRWDZBQOSA-N 0 3 428.599 0.913 20 0 ICADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001536539424 1071476683 /nfs/dbraw/zinc/47/66/83/1071476683.db2.gz BYVKJDKCZHNZBD-QGZVFWFLSA-N 0 3 428.599 0.913 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001536593134 1071478164 /nfs/dbraw/zinc/47/81/64/1071478164.db2.gz DJMRMSYQPIXTDT-HRAATJIYSA-N 0 3 427.542 0.372 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001536593136 1071478361 /nfs/dbraw/zinc/47/83/61/1071478361.db2.gz DJMRMSYQPIXTDT-IERDGZPVSA-N 0 3 427.542 0.372 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001536593137 1071478304 /nfs/dbraw/zinc/47/83/04/1071478304.db2.gz DJMRMSYQPIXTDT-IIBYNOLFSA-N 0 3 427.542 0.372 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001536593139 1071478127 /nfs/dbraw/zinc/47/81/27/1071478127.db2.gz DJMRMSYQPIXTDT-KKSFZXQISA-N 0 3 427.542 0.372 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O ZINC001536593886 1071478271 /nfs/dbraw/zinc/47/82/71/1071478271.db2.gz OCKAUSWVWHVJEH-JOCHJYFZSA-N 0 3 427.505 0.634 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O ZINC001536593888 1071478143 /nfs/dbraw/zinc/47/81/43/1071478143.db2.gz OCKAUSWVWHVJEH-QFIPXVFZSA-N 0 3 427.505 0.634 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001536594033 1071478226 /nfs/dbraw/zinc/47/82/26/1071478226.db2.gz QGFSSCVZHSOURI-KRWDZBQOSA-N 0 3 439.314 0.844 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001536594034 1071479321 /nfs/dbraw/zinc/47/93/21/1071479321.db2.gz QGFSSCVZHSOURI-QGZVFWFLSA-N 0 3 439.314 0.844 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC001536943670 1071487555 /nfs/dbraw/zinc/48/75/55/1071487555.db2.gz SGLISBQQWKONOE-UHFFFAOYSA-N 0 3 427.505 0.825 20 0 ICADHN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC001536944770 1071487610 /nfs/dbraw/zinc/48/76/10/1071487610.db2.gz ZWFSKCHGACLAIV-JOCHJYFZSA-N 0 3 441.532 0.786 20 0 ICADHN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O ZINC001536944779 1071487590 /nfs/dbraw/zinc/48/75/90/1071487590.db2.gz ZWFSKCHGACLAIV-QFIPXVFZSA-N 0 3 441.532 0.786 20 0 ICADHN CCN1C(=O)CO[C@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)[C@H]1c1ccnn1C ZINC001536950436 1071487599 /nfs/dbraw/zinc/48/75/99/1071487599.db2.gz GKXDLGFOPQMLSF-MOPGFXCFSA-N 0 3 446.552 0.041 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCCN3C)ccc2F)CC1 ZINC001537278685 1071497040 /nfs/dbraw/zinc/49/70/40/1071497040.db2.gz QQIAPFVHBKMCMS-KRWDZBQOSA-N 0 3 440.541 0.893 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCCN3C)ccc2F)CC1 ZINC001537278688 1071497108 /nfs/dbraw/zinc/49/71/08/1071497108.db2.gz QQIAPFVHBKMCMS-QGZVFWFLSA-N 0 3 440.541 0.893 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001537475113 1071501894 /nfs/dbraw/zinc/50/18/94/1071501894.db2.gz BLJCBJLVXBBRJZ-PMACEKPBSA-N 0 3 440.548 0.346 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001537475114 1071501931 /nfs/dbraw/zinc/50/19/31/1071501931.db2.gz BLJCBJLVXBBRJZ-UXHICEINSA-N 0 3 440.548 0.346 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001537475115 1071501759 /nfs/dbraw/zinc/50/17/59/1071501759.db2.gz BLJCBJLVXBBRJZ-VQTJNVASSA-N 0 3 440.548 0.346 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001537475116 1071501830 /nfs/dbraw/zinc/50/18/30/1071501830.db2.gz BLJCBJLVXBBRJZ-WOJBJXKFSA-N 0 3 440.548 0.346 20 0 ICADHN CN(C)CCn1cc(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)ccc1=O ZINC001537674454 1071509971 /nfs/dbraw/zinc/50/99/71/1071509971.db2.gz FNHUENQBFQJGQV-UHFFFAOYSA-N 0 3 441.550 0.885 20 0 ICADHN C[C@@]1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN(Cc2ccccc2)C1 ZINC001537895030 1071515731 /nfs/dbraw/zinc/51/57/31/1071515731.db2.gz KTCSYHVRSRRNJH-DYESRHJHSA-N 0 3 432.546 0.933 20 0 ICADHN C[C@@]1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN(Cc2ccccc2)C1 ZINC001537895031 1071516016 /nfs/dbraw/zinc/51/60/16/1071516016.db2.gz KTCSYHVRSRRNJH-LAUBAEHRSA-N 0 3 432.546 0.933 20 0 ICADHN C[C@]1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN(Cc2ccccc2)C1 ZINC001537895032 1071515910 /nfs/dbraw/zinc/51/59/10/1071515910.db2.gz KTCSYHVRSRRNJH-UTKZUKDTSA-N 0 3 432.546 0.933 20 0 ICADHN C[C@]1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCN(Cc2ccccc2)C1 ZINC001537895033 1071515613 /nfs/dbraw/zinc/51/56/13/1071515613.db2.gz KTCSYHVRSRRNJH-UWJYYQICSA-N 0 3 432.546 0.933 20 0 ICADHN CN(C)CCN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1=O ZINC001538088726 1071523145 /nfs/dbraw/zinc/52/31/45/1071523145.db2.gz FCCQCWGURDGKMF-UHFFFAOYSA-N 0 3 437.294 0.278 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1=O ZINC001538089194 1071523378 /nfs/dbraw/zinc/52/33/78/1071523378.db2.gz OIWUXYLHJPBCBI-INIZCTEOSA-N 0 3 428.489 0.308 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1=O ZINC001538089195 1071523170 /nfs/dbraw/zinc/52/31/70/1071523170.db2.gz OIWUXYLHJPBCBI-MRXNPFEDSA-N 0 3 428.489 0.308 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCN(C)C)C(=O)C3)C2)cc1 ZINC001538089817 1071523354 /nfs/dbraw/zinc/52/33/54/1071523354.db2.gz WPTWPZBFPHXJPJ-GOSISDBHSA-N 0 3 436.578 0.628 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCN(C)C)C(=O)C3)C2)cc1 ZINC001538089819 1071523308 /nfs/dbraw/zinc/52/33/08/1071523308.db2.gz WPTWPZBFPHXJPJ-SFHVURJKSA-N 0 3 436.578 0.628 20 0 ICADHN CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)CCS(=O)(=O)C1 ZINC001538155412 1071525512 /nfs/dbraw/zinc/52/55/12/1071525512.db2.gz KJACDCPNHIOYCP-FQEVSTJZSA-N 0 3 425.551 0.845 20 0 ICADHN CO[C@]1(C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)CCS(=O)(=O)C1 ZINC001538155413 1071525243 /nfs/dbraw/zinc/52/52/43/1071525243.db2.gz KJACDCPNHIOYCP-HXUWFJFHSA-N 0 3 425.551 0.845 20 0 ICADHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001538320518 1071531050 /nfs/dbraw/zinc/53/10/50/1071531050.db2.gz ICWARVZOCDYDOT-KRWDZBQOSA-N 0 3 441.525 0.830 20 0 ICADHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001538320519 1071530827 /nfs/dbraw/zinc/53/08/27/1071530827.db2.gz ICWARVZOCDYDOT-QGZVFWFLSA-N 0 3 441.525 0.830 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC001538320596 1071530901 /nfs/dbraw/zinc/53/09/01/1071530901.db2.gz KFDYJDHMNQKFSZ-GOSISDBHSA-N 0 3 438.550 0.635 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC001538320597 1071530719 /nfs/dbraw/zinc/53/07/19/1071530719.db2.gz KFDYJDHMNQKFSZ-SFHVURJKSA-N 0 3 438.550 0.635 20 0 ICADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)cn1C ZINC001538320608 1071531088 /nfs/dbraw/zinc/53/10/88/1071531088.db2.gz KWAMRGBCIOSVDA-GOSISDBHSA-N 0 3 439.582 0.499 20 0 ICADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)cn1C ZINC001538320609 1071530752 /nfs/dbraw/zinc/53/07/52/1071530752.db2.gz KWAMRGBCIOSVDA-SFHVURJKSA-N 0 3 439.582 0.499 20 0 ICADHN Cc1c(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001538577777 1071540998 /nfs/dbraw/zinc/54/09/98/1071540998.db2.gz QUQVSIZYDPUHRK-INIZCTEOSA-N 0 3 433.534 0.449 20 0 ICADHN Cc1c(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001538577778 1071541208 /nfs/dbraw/zinc/54/12/08/1071541208.db2.gz QUQVSIZYDPUHRK-MRXNPFEDSA-N 0 3 433.534 0.449 20 0 ICADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001538587792 1071541977 /nfs/dbraw/zinc/54/19/77/1071541977.db2.gz XWTZXCPFFHFGOX-INIZCTEOSA-N 0 3 426.539 0.029 20 0 ICADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001538587793 1071541899 /nfs/dbraw/zinc/54/18/99/1071541899.db2.gz XWTZXCPFFHFGOX-MRXNPFEDSA-N 0 3 426.539 0.029 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC001538710850 1071546813 /nfs/dbraw/zinc/54/68/13/1071546813.db2.gz CTMJFYBKPYZYRG-UHFFFAOYSA-N 0 3 428.480 0.724 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001538712724 1071546944 /nfs/dbraw/zinc/54/69/44/1071546944.db2.gz QNBKRJHRDUZIIB-UHFFFAOYSA-N 0 3 428.480 0.724 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)c(C)c2)CC1 ZINC001538938691 1071555548 /nfs/dbraw/zinc/55/55/48/1071555548.db2.gz MKXKDVQULOSGSU-NJDAHSKKSA-N 0 3 440.548 0.999 20 0 ICADHN O=C(N[C@@H](CO)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1cccc(F)n1 ZINC001539598056 1071605094 /nfs/dbraw/zinc/60/50/94/1071605094.db2.gz SYEVFYGBDXZVTJ-FQEVSTJZSA-N 0 3 443.523 0.636 20 0 ICADHN CN(C)CC(=O)N1CCN(C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001539704816 1071610005 /nfs/dbraw/zinc/61/00/05/1071610005.db2.gz CTSRJXZOMNKJPO-HNNXBMFYSA-N 0 3 434.541 0.980 20 0 ICADHN CN(C)CC(=O)N1CCN(C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001539704819 1071610083 /nfs/dbraw/zinc/61/00/83/1071610083.db2.gz CTSRJXZOMNKJPO-OAHLLOKOSA-N 0 3 434.541 0.980 20 0 ICADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001540507149 1071646138 /nfs/dbraw/zinc/64/61/38/1071646138.db2.gz ARLKYPRZAYBUGV-KRWDZBQOSA-N 0 3 425.574 0.503 20 0 ICADHN CN1CCN(CCCNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001540507150 1071646117 /nfs/dbraw/zinc/64/61/17/1071646117.db2.gz ARLKYPRZAYBUGV-QGZVFWFLSA-N 0 3 425.574 0.503 20 0 ICADHN C[C@@H](C(=O)NCCCCN1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001540725483 1071668704 /nfs/dbraw/zinc/66/87/04/1071668704.db2.gz YLFZZSHSBYSSRE-KRWDZBQOSA-N 0 3 425.574 0.598 20 0 ICADHN C[C@H](C(=O)NCCCCN1CCN(C)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001540725484 1071668653 /nfs/dbraw/zinc/66/86/53/1071668653.db2.gz YLFZZSHSBYSSRE-QGZVFWFLSA-N 0 3 425.574 0.598 20 0 ICADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)CC2)c1 ZINC001540744238 1071670356 /nfs/dbraw/zinc/67/03/56/1071670356.db2.gz QSQAZPCZMSCKQI-GOSISDBHSA-N 0 3 428.541 0.205 20 0 ICADHN CN1CCN(Cc2ccc(NC(=O)c3nc(S(N)(=O)=O)c4ccccn43)cc2)CC1 ZINC001540769633 1071675290 /nfs/dbraw/zinc/67/52/90/1071675290.db2.gz SYGCUKTURKAGKE-UHFFFAOYSA-N 0 3 428.518 0.981 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001540774622 1071675228 /nfs/dbraw/zinc/67/52/28/1071675228.db2.gz KXTRFLRQHPIWQC-UHFFFAOYSA-N 0 3 446.577 0.585 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1 ZINC001540774855 1071675168 /nfs/dbraw/zinc/67/51/68/1071675168.db2.gz VRWFNXHHHTVWNG-FQEVSTJZSA-N 0 3 430.549 0.852 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1 ZINC001540774856 1071675066 /nfs/dbraw/zinc/67/50/66/1071675066.db2.gz VRWFNXHHHTVWNG-HXUWFJFHSA-N 0 3 430.549 0.852 20 0 ICADHN CCN1CCN(CCCNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC001540779417 1071676468 /nfs/dbraw/zinc/67/64/68/1071676468.db2.gz PKBBPXWWCACALW-UHFFFAOYSA-N 0 3 445.607 0.262 20 0 ICADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC001540785064 1071676437 /nfs/dbraw/zinc/67/64/37/1071676437.db2.gz AKRRUPAZHMKVFP-UHFFFAOYSA-N 0 3 429.564 0.455 20 0 ICADHN CN1CCN(Cc2ccc(CNC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC001540808220 1071677043 /nfs/dbraw/zinc/67/70/43/1071677043.db2.gz CLWYVSSTLJHBNX-QFIPXVFZSA-N 0 3 442.535 0.909 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)CN3CCC[C@H](C(=O)OC)C3=O)cc2)CC1 ZINC001540809932 1071677088 /nfs/dbraw/zinc/67/70/88/1071677088.db2.gz OWKFTKILSSGSKX-FQEVSTJZSA-N 0 3 430.549 0.852 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)CN3CCC[C@@H](C(=O)OC)C3=O)cc2)CC1 ZINC001540809933 1071677054 /nfs/dbraw/zinc/67/70/54/1071677054.db2.gz OWKFTKILSSGSKX-HXUWFJFHSA-N 0 3 430.549 0.852 20 0 ICADHN CN1CCN(CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835711 1071682901 /nfs/dbraw/zinc/68/29/01/1071682901.db2.gz RVAQOTBBYGFIDA-HKUYNNGSSA-N 0 3 427.509 0.495 20 0 ICADHN CN1CCN(CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835712 1071683384 /nfs/dbraw/zinc/68/33/84/1071683384.db2.gz RVAQOTBBYGFIDA-IEBWSBKVSA-N 0 3 427.509 0.495 20 0 ICADHN CN1CCN(CCCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)[C@H](c2ccccc2)C1 ZINC001540835713 1071683300 /nfs/dbraw/zinc/68/33/00/1071683300.db2.gz RVAQOTBBYGFIDA-MJGOQNOKSA-N 0 3 427.509 0.495 20 0 ICADHN CN1CCN(CCCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)[C@@H](c2ccccc2)C1 ZINC001540835714 1071683273 /nfs/dbraw/zinc/68/32/73/1071683273.db2.gz RVAQOTBBYGFIDA-PKOBYXMFSA-N 0 3 427.509 0.495 20 0 ICADHN CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001540926945 1071705136 /nfs/dbraw/zinc/70/51/36/1071705136.db2.gz LLFOMHANWYPVPV-IBGZPJMESA-N 0 3 449.600 0.710 20 0 ICADHN CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 ZINC001540926947 1071704993 /nfs/dbraw/zinc/70/49/93/1071704993.db2.gz LLFOMHANWYPVPV-LJQANCHMSA-N 0 3 449.600 0.710 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001540933912 1071706149 /nfs/dbraw/zinc/70/61/49/1071706149.db2.gz GFXKZDDXUWHSJF-FQEVSTJZSA-N 0 3 443.523 0.765 20 0 ICADHN CCN1CCN(CCCNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC001540949394 1071710975 /nfs/dbraw/zinc/71/09/75/1071710975.db2.gz JWRNDOCHEIVOAM-KRWDZBQOSA-N 0 3 446.614 0.554 20 0 ICADHN CCN1CCN(CCCNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC001540949395 1071711089 /nfs/dbraw/zinc/71/10/89/1071711089.db2.gz JWRNDOCHEIVOAM-QGZVFWFLSA-N 0 3 446.614 0.554 20 0 ICADHN CCN1CCN(CCCNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001540949592 1071710945 /nfs/dbraw/zinc/71/09/45/1071710945.db2.gz SLCXQLAZWWCVHY-KRWDZBQOSA-N 0 3 432.974 0.123 20 0 ICADHN CCN1CCN(CCCNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001540949593 1071711074 /nfs/dbraw/zinc/71/10/74/1071711074.db2.gz SLCXQLAZWWCVHY-QGZVFWFLSA-N 0 3 432.974 0.123 20 0 ICADHN CC(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001540961668 1071713000 /nfs/dbraw/zinc/71/30/00/1071713000.db2.gz OWNPVMWAEBQHQR-IBGZPJMESA-N 0 3 447.584 0.420 20 0 ICADHN CC(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001540961669 1071713138 /nfs/dbraw/zinc/71/31/38/1071713138.db2.gz OWNPVMWAEBQHQR-LJQANCHMSA-N 0 3 447.584 0.420 20 0 ICADHN CC(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001540966375 1071714074 /nfs/dbraw/zinc/71/40/74/1071714074.db2.gz REXSGETZSCUIEJ-GOSISDBHSA-N 0 3 446.600 0.314 20 0 ICADHN CC(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001540966376 1071713955 /nfs/dbraw/zinc/71/39/55/1071713955.db2.gz REXSGETZSCUIEJ-SFHVURJKSA-N 0 3 446.600 0.314 20 0 ICADHN CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001540972118 1071714692 /nfs/dbraw/zinc/71/46/92/1071714692.db2.gz BPARGWODKLZAFH-GOSISDBHSA-N 0 3 433.557 0.029 20 0 ICADHN CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001540972119 1071715266 /nfs/dbraw/zinc/71/52/66/1071715266.db2.gz BPARGWODKLZAFH-SFHVURJKSA-N 0 3 433.557 0.029 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3cnnn3C)C[C@H]2C)CC1 ZINC001540972295 1071715071 /nfs/dbraw/zinc/71/50/71/1071715071.db2.gz FZYPTWKKLGJOAD-APWZRJJASA-N 0 3 429.573 0.957 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3cnnn3C)C[C@@H]2C)CC1 ZINC001540972296 1071715160 /nfs/dbraw/zinc/71/51/60/1071715160.db2.gz FZYPTWKKLGJOAD-LPHOPBHVSA-N 0 3 429.573 0.957 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3cnnn3C)C[C@@H]2C)CC1 ZINC001540972297 1071715282 /nfs/dbraw/zinc/71/52/82/1071715282.db2.gz FZYPTWKKLGJOAD-QFBILLFUSA-N 0 3 429.573 0.957 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3cnnn3C)C[C@H]2C)CC1 ZINC001540972298 1071715141 /nfs/dbraw/zinc/71/51/41/1071715141.db2.gz FZYPTWKKLGJOAD-VQIMIIECSA-N 0 3 429.573 0.957 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001540972361 1071715192 /nfs/dbraw/zinc/71/51/92/1071715192.db2.gz GZHAZESILQERCX-APWZRJJASA-N 0 3 442.568 0.885 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001540972362 1071715121 /nfs/dbraw/zinc/71/51/21/1071715121.db2.gz GZHAZESILQERCX-LPHOPBHVSA-N 0 3 442.568 0.885 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001540972363 1071715207 /nfs/dbraw/zinc/71/52/07/1071715207.db2.gz GZHAZESILQERCX-QFBILLFUSA-N 0 3 442.568 0.885 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001540972364 1071715225 /nfs/dbraw/zinc/71/52/25/1071715225.db2.gz GZHAZESILQERCX-VQIMIIECSA-N 0 3 442.568 0.885 20 0 ICADHN CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001540985360 1071717847 /nfs/dbraw/zinc/71/78/47/1071717847.db2.gz ASGOBDDRAZZAFB-KRWDZBQOSA-N 0 3 441.584 0.818 20 0 ICADHN CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001540985361 1071717893 /nfs/dbraw/zinc/71/78/93/1071717893.db2.gz ASGOBDDRAZZAFB-QGZVFWFLSA-N 0 3 441.584 0.818 20 0 ICADHN CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001540996854 1071720964 /nfs/dbraw/zinc/72/09/64/1071720964.db2.gz UXQOQGLZNXNVCB-UHFFFAOYSA-N 0 3 446.600 0.095 20 0 ICADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@@H]3CN(CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002606 1071722543 /nfs/dbraw/zinc/72/25/43/1071722543.db2.gz VFQAMQICTSYPTG-BVYCBKJFSA-N 0 3 447.628 0.932 20 0 ICADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@H]3CN(CC(C)C)CCO3)C[C@H]2C)CC1 ZINC001541002609 1071722714 /nfs/dbraw/zinc/72/27/14/1071722714.db2.gz VFQAMQICTSYPTG-STZQEDGTSA-N 0 3 447.628 0.932 20 0 ICADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@H]3CN(CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002611 1071722624 /nfs/dbraw/zinc/72/26/24/1071722624.db2.gz VFQAMQICTSYPTG-VLCRHTCISA-N 0 3 447.628 0.932 20 0 ICADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C)n3C[C@@H]3CN(CC(C)C)CCO3)C[C@@H]2C)CC1 ZINC001541002612 1071722580 /nfs/dbraw/zinc/72/25/80/1071722580.db2.gz VFQAMQICTSYPTG-YUXAGFNASA-N 0 3 447.628 0.932 20 0 ICADHN CN1CCN(Cc2ccc(CNC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC001541041297 1071732701 /nfs/dbraw/zinc/73/27/01/1071732701.db2.gz SZWSNPIFUNVFJR-NRFANRHFSA-N 0 3 428.508 0.980 20 0 ICADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CCO1 ZINC001541071599 1071740746 /nfs/dbraw/zinc/74/07/46/1071740746.db2.gz XDNMQZGLXGJXLP-AEFFLSMTSA-N 0 3 433.557 0.340 20 0 ICADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CCO1 ZINC001541071600 1071740717 /nfs/dbraw/zinc/74/07/17/1071740717.db2.gz XDNMQZGLXGJXLP-FUHWJXTLSA-N 0 3 433.557 0.340 20 0 ICADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CCO1 ZINC001541071601 1071740662 /nfs/dbraw/zinc/74/06/62/1071740662.db2.gz XDNMQZGLXGJXLP-SJLPKXTDSA-N 0 3 433.557 0.340 20 0 ICADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CCO1 ZINC001541071602 1071740700 /nfs/dbraw/zinc/74/07/00/1071740700.db2.gz XDNMQZGLXGJXLP-WMZOPIPTSA-N 0 3 433.557 0.340 20 0 ICADHN CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001541082949 1071748127 /nfs/dbraw/zinc/74/81/27/1071748127.db2.gz FMOCFDVWHZFTBK-GOSISDBHSA-N 0 3 433.557 0.199 20 0 ICADHN CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001541082951 1071748217 /nfs/dbraw/zinc/74/82/17/1071748217.db2.gz FMOCFDVWHZFTBK-SFHVURJKSA-N 0 3 433.557 0.199 20 0 ICADHN CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541087055 1071750309 /nfs/dbraw/zinc/75/03/09/1071750309.db2.gz BRQQGRHUDGALBA-UHFFFAOYSA-N 0 3 440.552 0.611 20 0 ICADHN CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001541089686 1071750725 /nfs/dbraw/zinc/75/07/25/1071750725.db2.gz DTBYWEZMHMLKAM-IBGZPJMESA-N 0 3 441.584 0.866 20 0 ICADHN CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001541089692 1071750756 /nfs/dbraw/zinc/75/07/56/1071750756.db2.gz DTBYWEZMHMLKAM-LJQANCHMSA-N 0 3 441.584 0.866 20 0 ICADHN CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001541091249 1071751393 /nfs/dbraw/zinc/75/13/93/1071751393.db2.gz DKRBDSMBNYOVGZ-MAUKXSAKSA-N 0 3 433.557 0.445 20 0 ICADHN CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001541091250 1071751415 /nfs/dbraw/zinc/75/14/15/1071751415.db2.gz DKRBDSMBNYOVGZ-YJBOKZPZSA-N 0 3 433.557 0.445 20 0 ICADHN CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541099051 1071753305 /nfs/dbraw/zinc/75/33/05/1071753305.db2.gz VEYMQKQUFZLBLM-GOSISDBHSA-N 0 3 433.557 0.400 20 0 ICADHN COC(=O)c1cccn(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1=O ZINC001541105103 1071753864 /nfs/dbraw/zinc/75/38/64/1071753864.db2.gz LQKYWKTWTAFSBR-UHFFFAOYSA-N 0 3 426.473 0.971 20 0 ICADHN CN1CCn2nc(C(=O)Nc3cccc(CN4CCC(C(N)=O)CC4)c3)cc2S1(=O)=O ZINC001541105257 1071753746 /nfs/dbraw/zinc/75/37/46/1071753746.db2.gz ODQAGKKXNZGWSA-UHFFFAOYSA-N 0 3 446.533 0.467 20 0 ICADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001541158121 1071761488 /nfs/dbraw/zinc/76/14/88/1071761488.db2.gz NLJXBTXWAKOHFS-UHFFFAOYSA-N 0 3 434.585 0.862 20 0 ICADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCS(C)(=O)=O ZINC001541158279 1071761515 /nfs/dbraw/zinc/76/15/15/1071761515.db2.gz STVDDHPXFRDVJC-UHFFFAOYSA-N 0 3 440.614 0.755 20 0 ICADHN CC(C)(C)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)CC1 ZINC001541194043 1071765362 /nfs/dbraw/zinc/76/53/62/1071765362.db2.gz OFKOYYXGQODHGE-UHFFFAOYSA-N 0 3 441.602 0.374 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001541194721 1071765325 /nfs/dbraw/zinc/76/53/25/1071765325.db2.gz NRTATYCRBRRKIH-DLBZAZTESA-N 0 3 440.614 0.984 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001541194722 1071765198 /nfs/dbraw/zinc/76/51/98/1071765198.db2.gz NRTATYCRBRRKIH-IAGOWNOFSA-N 0 3 440.614 0.984 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001541194723 1071765430 /nfs/dbraw/zinc/76/54/30/1071765430.db2.gz NRTATYCRBRRKIH-IRXDYDNUSA-N 0 3 440.614 0.984 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001541194724 1071765394 /nfs/dbraw/zinc/76/53/94/1071765394.db2.gz NRTATYCRBRRKIH-SJORKVTESA-N 0 3 440.614 0.984 20 0 ICADHN CC(C)(C)N1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001541194781 1071766077 /nfs/dbraw/zinc/76/60/77/1071766077.db2.gz PTQSVTUJIFZRHW-UHFFFAOYSA-N 0 3 449.581 0.595 20 0 ICADHN CC(C)(C)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)CC1 ZINC001541194954 1071765942 /nfs/dbraw/zinc/76/59/42/1071765942.db2.gz VVSBDLAPQYIRRW-UHFFFAOYSA-N 0 3 434.570 0.691 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)CC1 ZINC001541195067 1071766027 /nfs/dbraw/zinc/76/60/27/1071766027.db2.gz ZQLBHWCPSRRFLA-INIZCTEOSA-N 0 3 426.587 0.942 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC2)CC1 ZINC001541195068 1071765983 /nfs/dbraw/zinc/76/59/83/1071765983.db2.gz ZQLBHWCPSRRFLA-MRXNPFEDSA-N 0 3 426.587 0.942 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001541195358 1071766049 /nfs/dbraw/zinc/76/60/49/1071766049.db2.gz LVQGWDKDRBBNCM-MRXNPFEDSA-N 0 3 441.598 0.990 20 0 ICADHN CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541247250 1071770955 /nfs/dbraw/zinc/77/09/55/1071770955.db2.gz SBEODLXPKHYQPJ-UHFFFAOYSA-N 0 3 433.557 0.029 20 0 ICADHN CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001541283374 1071781391 /nfs/dbraw/zinc/78/13/91/1071781391.db2.gz XWBQZTSMLOMXAX-UHFFFAOYSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001541306592 1071785881 /nfs/dbraw/zinc/78/58/81/1071785881.db2.gz RQEFPGYTZAPXRH-CVEARBPZSA-N 0 3 426.587 0.830 20 0 ICADHN CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001541306593 1071785999 /nfs/dbraw/zinc/78/59/99/1071785999.db2.gz RQEFPGYTZAPXRH-HOTGVXAUSA-N 0 3 426.587 0.830 20 0 ICADHN CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001541306594 1071785971 /nfs/dbraw/zinc/78/59/71/1071785971.db2.gz RQEFPGYTZAPXRH-HZPDHXFCSA-N 0 3 426.587 0.830 20 0 ICADHN CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001541306595 1071786550 /nfs/dbraw/zinc/78/65/50/1071786550.db2.gz RQEFPGYTZAPXRH-JKSUJKDBSA-N 0 3 426.587 0.830 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001541360577 1071788758 /nfs/dbraw/zinc/78/87/58/1071788758.db2.gz BTZHSTUIXIBOQK-UHFFFAOYSA-N 0 3 447.584 0.395 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCN1CCOCC1 ZINC001541360690 1071789420 /nfs/dbraw/zinc/78/94/20/1071789420.db2.gz HPLHYFKWMKECAC-UHFFFAOYSA-N 0 3 433.601 0.868 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN1CCOC[C@@H]1C ZINC001541360693 1071789563 /nfs/dbraw/zinc/78/95/63/1071789563.db2.gz HRIFZMIXLSBATJ-IBGZPJMESA-N 0 3 433.601 0.867 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN1CCOC[C@H]1C ZINC001541360694 1071789464 /nfs/dbraw/zinc/78/94/64/1071789464.db2.gz HRIFZMIXLSBATJ-LJQANCHMSA-N 0 3 433.601 0.867 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001541360896 1071789506 /nfs/dbraw/zinc/78/95/06/1071789506.db2.gz OBZUSQOTURVCOM-INIZCTEOSA-N 0 3 446.556 0.134 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCn1cc(CO)nn1 ZINC001541360962 1071789429 /nfs/dbraw/zinc/78/94/29/1071789429.db2.gz QZYYCBCANHGVSM-UHFFFAOYSA-N 0 3 445.572 0.320 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001541361167 1071789357 /nfs/dbraw/zinc/78/93/57/1071789357.db2.gz YYOALXFQABGSIT-IBGZPJMESA-N 0 3 433.601 0.867 20 0 ICADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001541361168 1071789485 /nfs/dbraw/zinc/78/94/85/1071789485.db2.gz YYOALXFQABGSIT-LJQANCHMSA-N 0 3 433.601 0.867 20 0 ICADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001541366427 1071790892 /nfs/dbraw/zinc/79/08/92/1071790892.db2.gz CYQNFDQYQQHWBP-MSOLQXFVSA-N 0 3 440.614 0.842 20 0 ICADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001541366428 1071790794 /nfs/dbraw/zinc/79/07/94/1071790794.db2.gz CYQNFDQYQQHWBP-QZTJIDSGSA-N 0 3 440.614 0.842 20 0 ICADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001541366429 1071790972 /nfs/dbraw/zinc/79/09/72/1071790972.db2.gz CYQNFDQYQQHWBP-ROUUACIJSA-N 0 3 440.614 0.842 20 0 ICADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001541366430 1071790956 /nfs/dbraw/zinc/79/09/56/1071790956.db2.gz CYQNFDQYQQHWBP-ZWKOTPCHSA-N 0 3 440.614 0.842 20 0 ICADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001541367041 1071791496 /nfs/dbraw/zinc/79/14/96/1071791496.db2.gz XJQPYIUPZIZCLL-KRWDZBQOSA-N 0 3 426.587 0.596 20 0 ICADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001541367042 1071791347 /nfs/dbraw/zinc/79/13/47/1071791347.db2.gz XJQPYIUPZIZCLL-QGZVFWFLSA-N 0 3 426.587 0.596 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCN1CC=CCC1 ZINC001541467003 1071796102 /nfs/dbraw/zinc/79/61/02/1071796102.db2.gz CXIZGGZYSVAVOO-UHFFFAOYSA-N 0 3 431.585 0.912 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCN1CC=CCC1 ZINC001541467532 1071796544 /nfs/dbraw/zinc/79/65/44/1071796544.db2.gz YSJHSYYFSKYPHY-UHFFFAOYSA-N 0 3 429.569 0.666 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCN1CCOCC1 ZINC001541468726 1071797097 /nfs/dbraw/zinc/79/70/97/1071797097.db2.gz OXINRROMUDVQCE-UHFFFAOYSA-N 0 3 447.628 0.943 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCn1cnnn1 ZINC001541468749 1071797007 /nfs/dbraw/zinc/79/70/07/1071797007.db2.gz PZWOJYBXTFAOCX-UHFFFAOYSA-N 0 3 430.561 0.298 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001541468787 1071797119 /nfs/dbraw/zinc/79/71/19/1071797119.db2.gz RWWLTIVMUQJGEM-UHFFFAOYSA-N 0 3 441.527 0.602 20 0 ICADHN CC(C)Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001541476626 1071799107 /nfs/dbraw/zinc/79/91/07/1071799107.db2.gz KVDYEIWJAKSTLD-MSOLQXFVSA-N 0 3 446.600 0.633 20 0 ICADHN CC(C)Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001541476627 1071799027 /nfs/dbraw/zinc/79/90/27/1071799027.db2.gz KVDYEIWJAKSTLD-QZTJIDSGSA-N 0 3 446.600 0.633 20 0 ICADHN CC(C)Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001541476628 1071799090 /nfs/dbraw/zinc/79/90/90/1071799090.db2.gz KVDYEIWJAKSTLD-ROUUACIJSA-N 0 3 446.600 0.633 20 0 ICADHN CC(C)Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001541476629 1071798971 /nfs/dbraw/zinc/79/89/71/1071798971.db2.gz KVDYEIWJAKSTLD-ZWKOTPCHSA-N 0 3 446.600 0.633 20 0 ICADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001541555139 1071804856 /nfs/dbraw/zinc/80/48/56/1071804856.db2.gz YWRQYYZCQMGKIZ-UHFFFAOYSA-N 0 3 447.584 0.574 20 0 ICADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)CC1 ZINC001541555174 1071804807 /nfs/dbraw/zinc/80/48/07/1071804807.db2.gz ZOMVELQWGXJNLL-UHFFFAOYSA-N 0 3 427.500 0.673 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 ZINC001541556192 1071804940 /nfs/dbraw/zinc/80/49/40/1071804940.db2.gz AOCOAJLLNDWFJL-CRAIPNDOSA-N 0 3 446.643 0.534 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 ZINC001541556193 1071804646 /nfs/dbraw/zinc/80/46/46/1071804646.db2.gz AOCOAJLLNDWFJL-MAUKXSAKSA-N 0 3 446.643 0.534 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 ZINC001541556194 1071805562 /nfs/dbraw/zinc/80/55/62/1071805562.db2.gz AOCOAJLLNDWFJL-QAPCUYQASA-N 0 3 446.643 0.534 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 ZINC001541556195 1071805404 /nfs/dbraw/zinc/80/54/04/1071805404.db2.gz AOCOAJLLNDWFJL-YJBOKZPZSA-N 0 3 446.643 0.534 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2ccnn2)CC1 ZINC001541556264 1071805521 /nfs/dbraw/zinc/80/55/21/1071805521.db2.gz BMAZIRUPWQUAES-INIZCTEOSA-N 0 3 439.590 0.348 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2ccnn2)CC1 ZINC001541556265 1071805232 /nfs/dbraw/zinc/80/52/32/1071805232.db2.gz BMAZIRUPWQUAES-MRXNPFEDSA-N 0 3 439.590 0.348 20 0 ICADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001541560912 1071805883 /nfs/dbraw/zinc/80/58/83/1071805883.db2.gz GXUQYCZAJKMMOA-UHFFFAOYSA-N 0 3 449.581 0.453 20 0 ICADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001541561527 1071807341 /nfs/dbraw/zinc/80/73/41/1071807341.db2.gz XPXWRUPLBTVWCV-UHFFFAOYSA-N 0 3 436.586 0.841 20 0 ICADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001541565194 1071808540 /nfs/dbraw/zinc/80/85/40/1071808540.db2.gz LZJKWRYBKOLSKE-UHFFFAOYSA-N 0 3 425.599 0.948 20 0 ICADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCOCC2)CC1 ZINC001541566217 1071808491 /nfs/dbraw/zinc/80/84/91/1071808491.db2.gz QCZZAOZOIKQSJT-IBGZPJMESA-N 0 3 433.601 0.899 20 0 ICADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001541566218 1071808744 /nfs/dbraw/zinc/80/87/44/1071808744.db2.gz QCZZAOZOIKQSJT-LJQANCHMSA-N 0 3 433.601 0.899 20 0 ICADHN CC(C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O ZINC001541606046 1071814747 /nfs/dbraw/zinc/81/47/47/1071814747.db2.gz BQGFFYQYQAHNRH-UHFFFAOYSA-N 0 3 426.543 0.827 20 0 ICADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001541629957 1071819643 /nfs/dbraw/zinc/81/96/43/1071819643.db2.gz GGUAEXGQMFFGQZ-IBGZPJMESA-N 0 3 443.600 0.762 20 0 ICADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001541629958 1071819827 /nfs/dbraw/zinc/81/98/27/1071819827.db2.gz GGUAEXGQMFFGQZ-LJQANCHMSA-N 0 3 443.600 0.762 20 0 ICADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630008 1071819759 /nfs/dbraw/zinc/81/97/59/1071819759.db2.gz HZMYSYPNFGXJLN-MOPGFXCFSA-N 0 3 449.600 0.233 20 0 ICADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630009 1071819578 /nfs/dbraw/zinc/81/95/78/1071819578.db2.gz HZMYSYPNFGXJLN-OALUTQOASA-N 0 3 449.600 0.233 20 0 ICADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630010 1071819616 /nfs/dbraw/zinc/81/96/16/1071819616.db2.gz HZMYSYPNFGXJLN-RBUKOAKNSA-N 0 3 449.600 0.233 20 0 ICADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001541630011 1071819747 /nfs/dbraw/zinc/81/97/47/1071819747.db2.gz HZMYSYPNFGXJLN-RTBURBONSA-N 0 3 449.600 0.233 20 0 ICADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4cccnc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541630808 1071820311 /nfs/dbraw/zinc/82/03/11/1071820311.db2.gz YLEYRCGOPTWGED-IBGZPJMESA-N 0 3 447.609 0.989 20 0 ICADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4cccnc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541630809 1071820245 /nfs/dbraw/zinc/82/02/45/1071820245.db2.gz YLEYRCGOPTWGED-LJQANCHMSA-N 0 3 447.609 0.989 20 0 ICADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541631053 1071820384 /nfs/dbraw/zinc/82/03/84/1071820384.db2.gz QIFJTYXHKRLVBX-QZTJIDSGSA-N 0 3 440.614 0.779 20 0 ICADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CCS(C)(=O)=O)C2)CC1 ZINC001541631054 1071820465 /nfs/dbraw/zinc/82/04/65/1071820465.db2.gz QIFJTYXHKRLVBX-ZWKOTPCHSA-N 0 3 440.614 0.779 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCCCN1C1CC1 ZINC001541636420 1071825039 /nfs/dbraw/zinc/82/50/39/1071825039.db2.gz GRMRIYNLNKODGA-GOSISDBHSA-N 0 3 447.584 0.728 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCCCN1C1CC1 ZINC001541636421 1071824873 /nfs/dbraw/zinc/82/48/73/1071824873.db2.gz GRMRIYNLNKODGA-SFHVURJKSA-N 0 3 447.584 0.728 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccon2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001541640406 1071826174 /nfs/dbraw/zinc/82/61/74/1071826174.db2.gz VIOFBDLWWVJKLL-KRWDZBQOSA-N 0 3 446.556 0.983 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccon2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001541640407 1071826299 /nfs/dbraw/zinc/82/62/99/1071826299.db2.gz VIOFBDLWWVJKLL-QGZVFWFLSA-N 0 3 446.556 0.983 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1nncn1C ZINC001541656408 1071833762 /nfs/dbraw/zinc/83/37/62/1071833762.db2.gz FNXKSZPCNSJNFY-UHFFFAOYSA-N 0 3 431.545 0.142 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001541658389 1071835866 /nfs/dbraw/zinc/83/58/66/1071835866.db2.gz OICUOMKUFVRXCY-RBUKOAKNSA-N 0 3 449.600 0.436 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001541658390 1071835813 /nfs/dbraw/zinc/83/58/13/1071835813.db2.gz OICUOMKUFVRXCY-RTBURBONSA-N 0 3 449.600 0.436 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541663816 1071840708 /nfs/dbraw/zinc/84/07/08/1071840708.db2.gz RZJITYQPSONQQI-CVEARBPZSA-N 0 3 449.556 0.556 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541663817 1071840822 /nfs/dbraw/zinc/84/08/22/1071840822.db2.gz RZJITYQPSONQQI-HOTGVXAUSA-N 0 3 449.556 0.556 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541663818 1071840759 /nfs/dbraw/zinc/84/07/59/1071840759.db2.gz RZJITYQPSONQQI-HZPDHXFCSA-N 0 3 449.556 0.556 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541663819 1071840881 /nfs/dbraw/zinc/84/08/81/1071840881.db2.gz RZJITYQPSONQQI-JKSUJKDBSA-N 0 3 449.556 0.556 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001541672204 1071845408 /nfs/dbraw/zinc/84/54/08/1071845408.db2.gz FHYWAZWEIGHGEN-QZTJIDSGSA-N 0 3 447.584 0.586 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCCCCO ZINC001541672325 1071845447 /nfs/dbraw/zinc/84/54/47/1071845447.db2.gz JEVRVGHCIJCJNA-GOSISDBHSA-N 0 3 449.600 0.712 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCCCCO ZINC001541672326 1071845352 /nfs/dbraw/zinc/84/53/52/1071845352.db2.gz JEVRVGHCIJCJNA-SFHVURJKSA-N 0 3 449.600 0.712 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCOC1 ZINC001541672385 1071845578 /nfs/dbraw/zinc/84/55/78/1071845578.db2.gz LHASYSPYBMATSY-GOSISDBHSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001541672386 1071845504 /nfs/dbraw/zinc/84/55/04/1071845504.db2.gz LHASYSPYBMATSY-SFHVURJKSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1nccs1 ZINC001541672567 1071846225 /nfs/dbraw/zinc/84/62/25/1071846225.db2.gz SBBHLEMYFFUXAG-HNNXBMFYSA-N 0 3 446.581 0.664 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1nccs1 ZINC001541672568 1071846364 /nfs/dbraw/zinc/84/63/64/1071846364.db2.gz SBBHLEMYFFUXAG-OAHLLOKOSA-N 0 3 446.581 0.664 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CCCC1 ZINC001541672683 1071846154 /nfs/dbraw/zinc/84/61/54/1071846154.db2.gz WIHDXEDPAONKBY-KRWDZBQOSA-N 0 3 447.584 0.464 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CCCC1 ZINC001541672684 1071846083 /nfs/dbraw/zinc/84/60/83/1071846083.db2.gz WIHDXEDPAONKBY-QGZVFWFLSA-N 0 3 447.584 0.464 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@@H]1CCOC1 ZINC001541672715 1071846389 /nfs/dbraw/zinc/84/63/89/1071846389.db2.gz WZWXDGFQCGBFAN-GOSISDBHSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@H]1CCOC1 ZINC001541672716 1071846259 /nfs/dbraw/zinc/84/62/59/1071846259.db2.gz WZWXDGFQCGBFAN-SFHVURJKSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCSC1 ZINC001541672787 1071846201 /nfs/dbraw/zinc/84/62/01/1071846201.db2.gz ZHHGQLPOSOTMHQ-KRWDZBQOSA-N 0 3 449.625 0.914 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCSC1 ZINC001541672788 1071846331 /nfs/dbraw/zinc/84/63/31/1071846331.db2.gz ZHHGQLPOSOTMHQ-QGZVFWFLSA-N 0 3 449.625 0.914 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCn1cc(CO)nn1 ZINC001541673230 1071846957 /nfs/dbraw/zinc/84/69/57/1071846957.db2.gz MFSKSGUIHUFXRE-UHFFFAOYSA-N 0 3 433.561 0.511 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCN1CCCC1 ZINC001541673358 1071846842 /nfs/dbraw/zinc/84/68/42/1071846842.db2.gz PWMUOERQAWZJSH-KRWDZBQOSA-N 0 3 446.600 0.301 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCN1CCCC1 ZINC001541673359 1071846913 /nfs/dbraw/zinc/84/69/13/1071846913.db2.gz PWMUOERQAWZJSH-QGZVFWFLSA-N 0 3 446.600 0.301 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCOCCS(C)(=O)=O ZINC001541673433 1071846860 /nfs/dbraw/zinc/84/68/60/1071846860.db2.gz RLPKQBNYWBECRB-UHFFFAOYSA-N 0 3 444.602 0.398 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001541675206 1071849211 /nfs/dbraw/zinc/84/92/11/1071849211.db2.gz CYUVREGHJDPZTA-UHFFFAOYSA-N 0 3 433.557 0.244 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001541676037 1071850594 /nfs/dbraw/zinc/85/05/94/1071850594.db2.gz GDLHBJIPYKYEOU-SJLPKXTDSA-N 0 3 436.557 0.521 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN1CCCCC1 ZINC001541676049 1071850250 /nfs/dbraw/zinc/85/02/50/1071850250.db2.gz GMFFJKHKZTXSSN-UHFFFAOYSA-N 0 3 434.589 0.112 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CCN1CCCCC1 ZINC001541676439 1071851085 /nfs/dbraw/zinc/85/10/85/1071851085.db2.gz UXBXSQOIEIDQBC-UHFFFAOYSA-N 0 3 446.600 0.303 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCn1cncn1 ZINC001541676877 1071852004 /nfs/dbraw/zinc/85/20/04/1071852004.db2.gz IKUXUPAINDQXKL-UHFFFAOYSA-N 0 3 431.545 0.257 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC(=O)N(C)C ZINC001541677124 1071851848 /nfs/dbraw/zinc/85/18/48/1071851848.db2.gz QBGYQVFDHTURTD-UHFFFAOYSA-N 0 3 449.600 0.833 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@]1(N(C)C)CCSC1 ZINC001541677737 1071852409 /nfs/dbraw/zinc/85/24/09/1071852409.db2.gz IEZFOLPKOSCRGP-AUUYWEPGSA-N 0 3 436.586 0.067 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@]1(N(C)C)CCSC1 ZINC001541677738 1071852587 /nfs/dbraw/zinc/85/25/87/1071852587.db2.gz IEZFOLPKOSCRGP-IFXJQAMLSA-N 0 3 436.586 0.067 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001541677739 1071852505 /nfs/dbraw/zinc/85/25/05/1071852505.db2.gz IEZFOLPKOSCRGP-KUHUBIRLSA-N 0 3 436.586 0.067 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001541677740 1071852384 /nfs/dbraw/zinc/85/23/84/1071852384.db2.gz IEZFOLPKOSCRGP-LIRRHRJNSA-N 0 3 436.586 0.067 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001541683936 1071858745 /nfs/dbraw/zinc/85/87/45/1071858745.db2.gz BXINGZKUGZEXFF-KURKYZTESA-N 0 3 447.584 0.226 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001541683937 1071858657 /nfs/dbraw/zinc/85/86/57/1071858657.db2.gz BXINGZKUGZEXFF-SQNIBIBYSA-N 0 3 447.584 0.226 20 0 ICADHN CC(C)NC(=O)c1nnc(Nc2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001541685483 1071859864 /nfs/dbraw/zinc/85/98/64/1071859864.db2.gz HAYFBLIZGSWPGK-INIZCTEOSA-N 0 3 431.545 0.836 20 0 ICADHN CC(C)NC(=O)c1nnc(Nc2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001541685484 1071859912 /nfs/dbraw/zinc/85/99/12/1071859912.db2.gz HAYFBLIZGSWPGK-MRXNPFEDSA-N 0 3 431.545 0.836 20 0 ICADHN CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001541688214 1071860797 /nfs/dbraw/zinc/86/07/97/1071860797.db2.gz SBLHRLWLGRVPMP-KRWDZBQOSA-N 0 3 428.541 0.808 20 0 ICADHN CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001541688215 1071860593 /nfs/dbraw/zinc/86/05/93/1071860593.db2.gz SBLHRLWLGRVPMP-QGZVFWFLSA-N 0 3 428.541 0.808 20 0 ICADHN CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001541689299 1071861902 /nfs/dbraw/zinc/86/19/02/1071861902.db2.gz UNHNJWJPYHGPKX-GOSISDBHSA-N 0 3 447.584 0.693 20 0 ICADHN CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001541689300 1071861928 /nfs/dbraw/zinc/86/19/28/1071861928.db2.gz UNHNJWJPYHGPKX-SFHVURJKSA-N 0 3 447.584 0.693 20 0 ICADHN CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541690679 1071862873 /nfs/dbraw/zinc/86/28/73/1071862873.db2.gz KYEKKTGFILUHJE-GOSISDBHSA-N 0 3 431.585 0.888 20 0 ICADHN CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541690680 1071862986 /nfs/dbraw/zinc/86/29/86/1071862986.db2.gz KYEKKTGFILUHJE-SFHVURJKSA-N 0 3 431.585 0.888 20 0 ICADHN CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001541696832 1071865284 /nfs/dbraw/zinc/86/52/84/1071865284.db2.gz KSGURMWZRNTABQ-UHFFFAOYSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001541697336 1071865330 /nfs/dbraw/zinc/86/53/30/1071865330.db2.gz FFCFPUKISABBHY-MRXNPFEDSA-N 0 3 435.573 0.630 20 0 ICADHN CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001541697903 1071865911 /nfs/dbraw/zinc/86/59/11/1071865911.db2.gz UTLPOTOTGZIFHG-UHFFFAOYSA-N 0 3 435.573 0.490 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001541699813 1071866780 /nfs/dbraw/zinc/86/67/80/1071866780.db2.gz HXGVXFXPTVTZKU-UHFFFAOYSA-N 0 3 428.541 0.808 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001541700158 1071866690 /nfs/dbraw/zinc/86/66/90/1071866690.db2.gz SVEHYIRDYMPWAO-UHFFFAOYSA-N 0 3 430.557 0.752 20 0 ICADHN CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541700850 1071867332 /nfs/dbraw/zinc/86/73/32/1071867332.db2.gz LAIKPFXOVNRTMY-GOSISDBHSA-N 0 3 447.584 0.789 20 0 ICADHN CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541700851 1071868187 /nfs/dbraw/zinc/86/81/87/1071868187.db2.gz LAIKPFXOVNRTMY-SFHVURJKSA-N 0 3 447.584 0.789 20 0 ICADHN CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001541701080 1071868103 /nfs/dbraw/zinc/86/81/03/1071868103.db2.gz PFVCLTLMUGVSCF-NVXWUHKLSA-N 0 3 433.557 0.443 20 0 ICADHN CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001541701081 1071868411 /nfs/dbraw/zinc/86/84/11/1071868411.db2.gz PFVCLTLMUGVSCF-WBVHZDCISA-N 0 3 433.557 0.443 20 0 ICADHN CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)CC1 ZINC001541704201 1071870970 /nfs/dbraw/zinc/87/09/70/1071870970.db2.gz NNXITJJJSKRGHS-UHFFFAOYSA-N 0 3 448.616 0.549 20 0 ICADHN CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)CC1 ZINC001541705707 1071873034 /nfs/dbraw/zinc/87/30/34/1071873034.db2.gz NHPGMASBHXHWEB-IBGZPJMESA-N 0 3 431.585 0.691 20 0 ICADHN CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)CC1 ZINC001541705708 1071873124 /nfs/dbraw/zinc/87/31/24/1071873124.db2.gz NHPGMASBHXHWEB-LJQANCHMSA-N 0 3 431.585 0.691 20 0 ICADHN CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001541710408 1071873757 /nfs/dbraw/zinc/87/37/57/1071873757.db2.gz MAQFSDZHWPOZCZ-KRWDZBQOSA-N 0 3 428.603 0.888 20 0 ICADHN CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001541710409 1071874432 /nfs/dbraw/zinc/87/44/32/1071874432.db2.gz MAQFSDZHWPOZCZ-QGZVFWFLSA-N 0 3 428.603 0.888 20 0 ICADHN CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541757785 1071885742 /nfs/dbraw/zinc/88/57/42/1071885742.db2.gz JPARJIKPZYFFSE-GOSISDBHSA-N 0 3 447.584 0.682 20 0 ICADHN CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541757786 1071885831 /nfs/dbraw/zinc/88/58/31/1071885831.db2.gz JPARJIKPZYFFSE-SFHVURJKSA-N 0 3 447.584 0.682 20 0 ICADHN C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541814561 1071895076 /nfs/dbraw/zinc/89/50/76/1071895076.db2.gz QTYSVQOUWCKEOQ-KRWDZBQOSA-N 0 3 428.585 0.990 20 0 ICADHN C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541814562 1071895184 /nfs/dbraw/zinc/89/51/84/1071895184.db2.gz QTYSVQOUWCKEOQ-QGZVFWFLSA-N 0 3 428.585 0.990 20 0 ICADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)N(C)Cc1ccccc1 ZINC001541833681 1071895790 /nfs/dbraw/zinc/89/57/90/1071895790.db2.gz JWRWZGRAUDFSSM-KRWDZBQOSA-N 0 3 425.537 0.971 20 0 ICADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)N(C)Cc1ccccc1 ZINC001541833682 1071895616 /nfs/dbraw/zinc/89/56/16/1071895616.db2.gz JWRWZGRAUDFSSM-QGZVFWFLSA-N 0 3 425.537 0.971 20 0 ICADHN C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1)N(C)C ZINC001541847111 1071896885 /nfs/dbraw/zinc/89/68/85/1071896885.db2.gz NJZKLNXFBWWTGO-AWEZNQCLSA-N 0 3 439.611 0.757 20 0 ICADHN C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1)N(C)C ZINC001541847112 1071897019 /nfs/dbraw/zinc/89/70/19/1071897019.db2.gz NJZKLNXFBWWTGO-CQSZACIVSA-N 0 3 439.611 0.757 20 0 ICADHN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1)N(C)C ZINC001541855677 1071899516 /nfs/dbraw/zinc/89/95/16/1071899516.db2.gz LIQOQCFOTTVIQU-FGTMMUONSA-N 0 3 440.614 0.289 20 0 ICADHN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1)N(C)C ZINC001541855678 1071900392 /nfs/dbraw/zinc/90/03/92/1071900392.db2.gz LIQOQCFOTTVIQU-KURKYZTESA-N 0 3 440.614 0.289 20 0 ICADHN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1)N(C)C ZINC001541855679 1071900309 /nfs/dbraw/zinc/90/03/09/1071900309.db2.gz LIQOQCFOTTVIQU-KZNAEPCWSA-N 0 3 440.614 0.289 20 0 ICADHN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1)N(C)C ZINC001541855680 1071900246 /nfs/dbraw/zinc/90/02/46/1071900246.db2.gz LIQOQCFOTTVIQU-SQNIBIBYSA-N 0 3 440.614 0.289 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001541872989 1071902581 /nfs/dbraw/zinc/90/25/81/1071902581.db2.gz IAOVQKIJONJHGE-BZUAXINKSA-N 0 3 426.587 0.830 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001541872990 1071902552 /nfs/dbraw/zinc/90/25/52/1071902552.db2.gz IAOVQKIJONJHGE-OAGGEKHMSA-N 0 3 426.587 0.830 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001541872991 1071902442 /nfs/dbraw/zinc/90/24/42/1071902442.db2.gz IAOVQKIJONJHGE-OWCLPIDISA-N 0 3 426.587 0.830 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001541872992 1071902501 /nfs/dbraw/zinc/90/25/01/1071902501.db2.gz IAOVQKIJONJHGE-PMPSAXMXSA-N 0 3 426.587 0.830 20 0 ICADHN C[C@@H](CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001541875171 1071902490 /nfs/dbraw/zinc/90/24/90/1071902490.db2.gz SQKPWMHJHWGROF-DLBZAZTESA-N 0 3 438.598 0.756 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001541875172 1071902454 /nfs/dbraw/zinc/90/24/54/1071902454.db2.gz SQKPWMHJHWGROF-IAGOWNOFSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@@H](CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001541875173 1071902573 /nfs/dbraw/zinc/90/25/73/1071902573.db2.gz SQKPWMHJHWGROF-IRXDYDNUSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001541875174 1071902539 /nfs/dbraw/zinc/90/25/39/1071902539.db2.gz SQKPWMHJHWGROF-SJORKVTESA-N 0 3 438.598 0.756 20 0 ICADHN C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)CN1CCCCC1 ZINC001541876839 1071903192 /nfs/dbraw/zinc/90/31/92/1071903192.db2.gz YWVSREKKLZSFJH-CVEARBPZSA-N 0 3 426.587 0.832 20 0 ICADHN C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)CN1CCCCC1 ZINC001541876840 1071903086 /nfs/dbraw/zinc/90/30/86/1071903086.db2.gz YWVSREKKLZSFJH-HOTGVXAUSA-N 0 3 426.587 0.832 20 0 ICADHN C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)CN1CCCCC1 ZINC001541876841 1071902973 /nfs/dbraw/zinc/90/29/73/1071902973.db2.gz YWVSREKKLZSFJH-HZPDHXFCSA-N 0 3 426.587 0.832 20 0 ICADHN C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O)CN1CCCCC1 ZINC001541876842 1071903070 /nfs/dbraw/zinc/90/30/70/1071903070.db2.gz YWVSREKKLZSFJH-JKSUJKDBSA-N 0 3 426.587 0.832 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CC1([S@](C)=O)CC1 ZINC001541921867 1071920378 /nfs/dbraw/zinc/92/03/78/1071920378.db2.gz YMFCEWSZQPCSBF-BRJAGZCNSA-N 0 3 444.627 0.472 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CC1([S@@](C)=O)CC1 ZINC001541921868 1071920417 /nfs/dbraw/zinc/92/04/17/1071920417.db2.gz YMFCEWSZQPCSBF-GODCIGNGSA-N 0 3 444.627 0.472 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CC1([S@](C)=O)CC1 ZINC001541921869 1071920358 /nfs/dbraw/zinc/92/03/58/1071920358.db2.gz YMFCEWSZQPCSBF-IRTSYGHZSA-N 0 3 444.627 0.472 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CC1([S@@](C)=O)CC1 ZINC001541921870 1071920328 /nfs/dbraw/zinc/92/03/28/1071920328.db2.gz YMFCEWSZQPCSBF-VSGQTLMKSA-N 0 3 444.627 0.472 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001541941439 1071937420 /nfs/dbraw/zinc/93/74/20/1071937420.db2.gz KNRGYNCYKCGAEE-KBXCAEBGSA-N 0 3 446.643 0.677 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001541941440 1071937397 /nfs/dbraw/zinc/93/73/97/1071937397.db2.gz KNRGYNCYKCGAEE-KDOFPFPSSA-N 0 3 446.643 0.677 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001541941441 1071937441 /nfs/dbraw/zinc/93/74/41/1071937441.db2.gz KNRGYNCYKCGAEE-KSSFIOAISA-N 0 3 446.643 0.677 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001541941442 1071937463 /nfs/dbraw/zinc/93/74/63/1071937463.db2.gz KNRGYNCYKCGAEE-RDTXWAMCSA-N 0 3 446.643 0.677 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001541941697 1071937926 /nfs/dbraw/zinc/93/79/26/1071937926.db2.gz PABDWNAOILHCKC-AUUYWEPGSA-N 0 3 428.603 0.970 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001541941698 1071937801 /nfs/dbraw/zinc/93/78/01/1071937801.db2.gz PABDWNAOILHCKC-IFXJQAMLSA-N 0 3 428.603 0.970 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001541941699 1071937889 /nfs/dbraw/zinc/93/78/89/1071937889.db2.gz PABDWNAOILHCKC-KUHUBIRLSA-N 0 3 428.603 0.970 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001541941700 1071937895 /nfs/dbraw/zinc/93/78/95/1071937895.db2.gz PABDWNAOILHCKC-LIRRHRJNSA-N 0 3 428.603 0.970 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541941969 1071937847 /nfs/dbraw/zinc/93/78/47/1071937847.db2.gz USAXOPBHNFZTKM-HRCADAONSA-N 0 3 444.602 0.349 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541941970 1071937859 /nfs/dbraw/zinc/93/78/59/1071937859.db2.gz USAXOPBHNFZTKM-OWCLPIDISA-N 0 3 444.602 0.349 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001541942225 1071938336 /nfs/dbraw/zinc/93/83/36/1071938336.db2.gz ZNSJHSJUJQEMFK-AWEZNQCLSA-N 0 3 441.602 0.335 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001541942226 1071938282 /nfs/dbraw/zinc/93/82/82/1071938282.db2.gz ZNSJHSJUJQEMFK-CQSZACIVSA-N 0 3 441.602 0.335 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001541942865 1071938865 /nfs/dbraw/zinc/93/88/65/1071938865.db2.gz LSMMMONAPQZLEH-RDJZCZTQSA-N 0 3 442.586 0.368 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001541942866 1071939449 /nfs/dbraw/zinc/93/94/49/1071939449.db2.gz LSMMMONAPQZLEH-WBVHZDCISA-N 0 3 442.586 0.368 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCn1cncn1 ZINC001541943393 1071939734 /nfs/dbraw/zinc/93/97/34/1071939734.db2.gz VSCWOHHCSFWVOD-HNNXBMFYSA-N 0 3 437.574 0.245 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCn1cncn1 ZINC001541943394 1071939827 /nfs/dbraw/zinc/93/98/27/1071939827.db2.gz VSCWOHHCSFWVOD-OAHLLOKOSA-N 0 3 437.574 0.245 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944083 1071940337 /nfs/dbraw/zinc/94/03/37/1071940337.db2.gz JWTJBMUMVHWIJU-BRWVUGGUSA-N 0 3 442.586 0.226 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944084 1071940401 /nfs/dbraw/zinc/94/04/01/1071940401.db2.gz JWTJBMUMVHWIJU-GVDBMIGSSA-N 0 3 442.586 0.226 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944085 1071940281 /nfs/dbraw/zinc/94/02/81/1071940281.db2.gz JWTJBMUMVHWIJU-IXDOHACOSA-N 0 3 442.586 0.226 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCO1 ZINC001541944086 1071940941 /nfs/dbraw/zinc/94/09/41/1071940941.db2.gz JWTJBMUMVHWIJU-YESZJQIVSA-N 0 3 442.586 0.226 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCCO1 ZINC001541944316 1071940953 /nfs/dbraw/zinc/94/09/53/1071940953.db2.gz NLMFHNVLKBOMCM-DOTOQJQBSA-N 0 3 442.586 0.368 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCCO1 ZINC001541944317 1071940827 /nfs/dbraw/zinc/94/08/27/1071940827.db2.gz NLMFHNVLKBOMCM-NVXWUHKLSA-N 0 3 442.586 0.368 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1CCCO1 ZINC001541944318 1071940972 /nfs/dbraw/zinc/94/09/72/1071940972.db2.gz NLMFHNVLKBOMCM-RDJZCZTQSA-N 0 3 442.586 0.368 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1CCCO1 ZINC001541944319 1071940897 /nfs/dbraw/zinc/94/08/97/1071940897.db2.gz NLMFHNVLKBOMCM-WBVHZDCISA-N 0 3 442.586 0.368 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CC1(O)CC1 ZINC001541944778 1071940874 /nfs/dbraw/zinc/94/08/74/1071940874.db2.gz XBZNWRUAPHJIHK-HNNXBMFYSA-N 0 3 426.587 0.868 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CC1(O)CC1 ZINC001541944779 1071940992 /nfs/dbraw/zinc/94/09/92/1071940992.db2.gz XBZNWRUAPHJIHK-OAHLLOKOSA-N 0 3 426.587 0.868 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541951414 1071950767 /nfs/dbraw/zinc/95/07/67/1071950767.db2.gz YHKQDDYCGHGBNK-HNNXBMFYSA-N 0 3 445.659 0.468 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541951415 1071951159 /nfs/dbraw/zinc/95/11/59/1071951159.db2.gz YHKQDDYCGHGBNK-OAHLLOKOSA-N 0 3 445.659 0.468 20 0 ICADHN Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)cnn1C ZINC001542072933 1071961605 /nfs/dbraw/zinc/96/16/05/1071961605.db2.gz PXYNGILAJJJIGH-GOSISDBHSA-N 0 3 432.573 0.941 20 0 ICADHN Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)cnn1C ZINC001542072934 1071961568 /nfs/dbraw/zinc/96/15/68/1071961568.db2.gz PXYNGILAJJJIGH-SFHVURJKSA-N 0 3 432.573 0.941 20 0 ICADHN Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cnn1C ZINC001542097939 1071964233 /nfs/dbraw/zinc/96/42/33/1071964233.db2.gz XYSUNQQRXVVANX-AWEZNQCLSA-N 0 3 438.602 0.899 20 0 ICADHN Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cnn1C ZINC001542097940 1071964152 /nfs/dbraw/zinc/96/41/52/1071964152.db2.gz XYSUNQQRXVVANX-CQSZACIVSA-N 0 3 438.602 0.899 20 0 ICADHN Cn1cc([C@@H]2[C@@H](C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@@H](O)C(=O)N2C)cn1 ZINC001542359662 1071977379 /nfs/dbraw/zinc/97/73/79/1071977379.db2.gz RHLCXWRWOAXARZ-VAMGGRTRSA-N 0 3 425.533 0.863 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)ccc2[nH]c1=O ZINC001542421653 1071980353 /nfs/dbraw/zinc/98/03/53/1071980353.db2.gz OYBVJGRKOUWJPY-UHFFFAOYSA-N 0 3 437.504 0.760 20 0 ICADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001542449268 1071981874 /nfs/dbraw/zinc/98/18/74/1071981874.db2.gz CASWGQVXEORXFE-GOSISDBHSA-N 0 3 446.577 0.977 20 0 ICADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001542449269 1071981919 /nfs/dbraw/zinc/98/19/19/1071981919.db2.gz CASWGQVXEORXFE-SFHVURJKSA-N 0 3 446.577 0.977 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCCN3CCC[C@H]3C2)C1 ZINC001542465125 1071982431 /nfs/dbraw/zinc/98/24/31/1071982431.db2.gz ZRTCSOKLTXXALB-GQIGUUNPSA-N 0 3 427.567 0.965 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCCN3CCC[C@@H]3C2)C1 ZINC001542465126 1071982478 /nfs/dbraw/zinc/98/24/78/1071982478.db2.gz ZRTCSOKLTXXALB-JXXFODFXSA-N 0 3 427.567 0.965 20 0 ICADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)cc21 ZINC001542481013 1071982765 /nfs/dbraw/zinc/98/27/65/1071982765.db2.gz RFDPKGZKBRJMMT-AWEZNQCLSA-N 0 3 431.424 0.420 20 0 ICADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535883 1071985585 /nfs/dbraw/zinc/98/55/85/1071985585.db2.gz URRVVVLTOFMPDI-CVEARBPZSA-N 0 3 443.591 0.734 20 0 ICADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535884 1071985537 /nfs/dbraw/zinc/98/55/37/1071985537.db2.gz URRVVVLTOFMPDI-HOTGVXAUSA-N 0 3 443.591 0.734 20 0 ICADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535885 1071985420 /nfs/dbraw/zinc/98/54/20/1071985420.db2.gz URRVVVLTOFMPDI-HZPDHXFCSA-N 0 3 443.591 0.734 20 0 ICADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001542535886 1071985388 /nfs/dbraw/zinc/98/53/88/1071985388.db2.gz URRVVVLTOFMPDI-JKSUJKDBSA-N 0 3 443.591 0.734 20 0 ICADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001542572280 1071987028 /nfs/dbraw/zinc/98/70/28/1071987028.db2.gz KIMLNOIZFKMGOL-UHFFFAOYSA-N 0 3 444.532 0.790 20 0 ICADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001542619775 1071989468 /nfs/dbraw/zinc/98/94/68/1071989468.db2.gz YSSSRXPQIPBKPO-CYBMUJFWSA-N 0 3 427.431 0.787 20 0 ICADHN CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC001542655608 1071992833 /nfs/dbraw/zinc/99/28/33/1071992833.db2.gz GQQHIMHVRXVOPF-INIZCTEOSA-N 0 3 447.540 0.624 20 0 ICADHN CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC001542655609 1071992680 /nfs/dbraw/zinc/99/26/80/1071992680.db2.gz GQQHIMHVRXVOPF-MRXNPFEDSA-N 0 3 447.540 0.624 20 0 ICADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001542655726 1071992667 /nfs/dbraw/zinc/99/26/67/1071992667.db2.gz KIZROBKOESUJTK-HNNXBMFYSA-N 0 3 448.325 0.979 20 0 ICADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001542655727 1071992745 /nfs/dbraw/zinc/99/27/45/1071992745.db2.gz KIZROBKOESUJTK-OAHLLOKOSA-N 0 3 448.325 0.979 20 0 ICADHN CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001542656227 1071992703 /nfs/dbraw/zinc/99/27/03/1071992703.db2.gz XNXBONIHOYVRTF-GOSISDBHSA-N 0 3 437.585 0.916 20 0 ICADHN CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001542656228 1071992783 /nfs/dbraw/zinc/99/27/83/1071992783.db2.gz XNXBONIHOYVRTF-SFHVURJKSA-N 0 3 437.585 0.916 20 0 ICADHN Cc1ccccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNS(C)(=O)=O ZINC001542723627 1071996323 /nfs/dbraw/zinc/99/63/23/1071996323.db2.gz PCFCHINYDCORRE-GOSISDBHSA-N 0 3 448.593 0.961 20 0 ICADHN Cc1ccccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNS(C)(=O)=O ZINC001542723628 1071996550 /nfs/dbraw/zinc/99/65/50/1071996550.db2.gz PCFCHINYDCORRE-SFHVURJKSA-N 0 3 448.593 0.961 20 0 ICADHN Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001542727933 1071996476 /nfs/dbraw/zinc/99/64/76/1071996476.db2.gz QTFIYOQLGGGCEJ-AWEZNQCLSA-N 0 3 430.596 0.598 20 0 ICADHN Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001542727934 1071996363 /nfs/dbraw/zinc/99/63/63/1071996363.db2.gz QTFIYOQLGGGCEJ-CQSZACIVSA-N 0 3 430.596 0.598 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1nc(N(C)C)ncc1Br ZINC001542727988 1071996525 /nfs/dbraw/zinc/99/65/25/1071996525.db2.gz SEEUMQWCVSDFKU-CYBMUJFWSA-N 0 3 427.347 0.978 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1nc(N(C)C)ncc1Br ZINC001542727989 1071996866 /nfs/dbraw/zinc/99/68/66/1071996866.db2.gz SEEUMQWCVSDFKU-ZDUSSCGKSA-N 0 3 427.347 0.978 20 0 ICADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001542728006 1071996855 /nfs/dbraw/zinc/99/68/55/1071996855.db2.gz STHVTTQYRDMUJW-GJZGRUSLSA-N 0 3 428.530 0.502 20 0 ICADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001542728007 1071996954 /nfs/dbraw/zinc/99/69/54/1071996954.db2.gz STHVTTQYRDMUJW-LSDHHAIUSA-N 0 3 428.530 0.502 20 0 ICADHN COCCN(C)CCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001542806476 1072003717 /nfs/dbraw/zinc/00/37/17/1072003717.db2.gz FLQIAGMIJYCSCM-UHFFFAOYSA-N 0 3 430.250 0.575 20 0 ICADHN CN1CCN(Cc2cccc(CNC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)c2)CC1 ZINC001542812179 1072003608 /nfs/dbraw/zinc/00/36/08/1072003608.db2.gz GUOITVPFIJVCFS-NRFANRHFSA-N 0 3 428.508 0.980 20 0 ICADHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001542812184 1072003647 /nfs/dbraw/zinc/00/36/47/1072003647.db2.gz GZBXSOGWHLLSQV-UHFFFAOYSA-N 0 3 431.581 0.860 20 0 ICADHN CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2=O)cc1 ZINC001542841693 1072005764 /nfs/dbraw/zinc/00/57/64/1072005764.db2.gz BOQHOSQJKHPOKS-GOSISDBHSA-N 0 3 441.532 0.765 20 0 ICADHN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2=O)cc1 ZINC001542841694 1072005801 /nfs/dbraw/zinc/00/58/01/1072005801.db2.gz BOQHOSQJKHPOKS-SFHVURJKSA-N 0 3 441.532 0.765 20 0 ICADHN Cc1c(Cl)c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)sc1S(N)(=O)=O ZINC001542841765 1072005569 /nfs/dbraw/zinc/00/55/69/1072005569.db2.gz FQIRVYWUVOWZEP-UHFFFAOYSA-N 0 3 434.971 0.738 20 0 ICADHN Cc1n[nH]c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1I ZINC001542842007 1072005612 /nfs/dbraw/zinc/00/56/12/1072005612.db2.gz RADWJFZWDUNDCU-UHFFFAOYSA-N 0 3 431.278 0.703 20 0 ICADHN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NCC(=O)NCCN1CCOCC1 ZINC001542881561 1072008458 /nfs/dbraw/zinc/00/84/58/1072008458.db2.gz NAZAWWAIBCAKDT-UHFFFAOYSA-N 0 3 437.972 0.417 20 0 ICADHN CN(C(=O)C1CCC(N2CCOCC2)CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001542905835 1072011601 /nfs/dbraw/zinc/01/16/01/1072011601.db2.gz GPVNSRVOMRIWLP-UHFFFAOYSA-N 0 3 449.640 0.574 20 0 ICADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001542922369 1072013172 /nfs/dbraw/zinc/01/31/72/1072013172.db2.gz GABJWGYNBCTPOM-UHFFFAOYSA-N 0 3 446.596 0.746 20 0 ICADHN Cc1nc(Cc2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(=O)N(C)C)cs1 ZINC001542926172 1072013503 /nfs/dbraw/zinc/01/35/03/1072013503.db2.gz RGOBXWMJNZXUQO-INIZCTEOSA-N 0 3 433.582 0.881 20 0 ICADHN Cc1nc(Cc2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(=O)N(C)C)cs1 ZINC001542926173 1072013681 /nfs/dbraw/zinc/01/36/81/1072013681.db2.gz RGOBXWMJNZXUQO-MRXNPFEDSA-N 0 3 433.582 0.881 20 0 ICADHN CCN1CCN(CCNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001542953528 1072019099 /nfs/dbraw/zinc/01/90/99/1072019099.db2.gz NFTRKVYIUOECLM-UHFFFAOYSA-N 0 3 430.596 0.261 20 0 ICADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953586 1072019187 /nfs/dbraw/zinc/01/91/87/1072019187.db2.gz PFQABVMKXRTNNQ-DLBZAZTESA-N 0 3 425.574 0.596 20 0 ICADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953587 1072019025 /nfs/dbraw/zinc/01/90/25/1072019025.db2.gz PFQABVMKXRTNNQ-IAGOWNOFSA-N 0 3 425.574 0.596 20 0 ICADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953588 1072019298 /nfs/dbraw/zinc/01/92/98/1072019298.db2.gz PFQABVMKXRTNNQ-IRXDYDNUSA-N 0 3 425.574 0.596 20 0 ICADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001542953589 1072019125 /nfs/dbraw/zinc/01/91/25/1072019125.db2.gz PFQABVMKXRTNNQ-SJORKVTESA-N 0 3 425.574 0.596 20 0 ICADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001542953756 1072019165 /nfs/dbraw/zinc/01/91/65/1072019165.db2.gz VCDMHNSUYTUPTO-KRWDZBQOSA-N 0 3 438.594 0.588 20 0 ICADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001542953757 1072019250 /nfs/dbraw/zinc/01/92/50/1072019250.db2.gz VCDMHNSUYTUPTO-QGZVFWFLSA-N 0 3 438.594 0.588 20 0 ICADHN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)CC2)n(C)n1 ZINC001542998278 1072026418 /nfs/dbraw/zinc/02/64/18/1072026418.db2.gz MPVJYXAGSMYPOT-UHFFFAOYSA-N 0 3 430.557 0.808 20 0 ICADHN COC(=O)[C@H]1CCCN(CC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1=O ZINC001543046182 1072031066 /nfs/dbraw/zinc/03/10/66/1072031066.db2.gz HTRAQIXYTJPTCA-FQEVSTJZSA-N 0 3 430.549 0.674 20 0 ICADHN COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1=O ZINC001543046183 1072030848 /nfs/dbraw/zinc/03/08/48/1072030848.db2.gz HTRAQIXYTJPTCA-HXUWFJFHSA-N 0 3 430.549 0.674 20 0 ICADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(C)(C)O)n1 ZINC001543059801 1072033218 /nfs/dbraw/zinc/03/32/18/1072033218.db2.gz RBGJCFGRJRQFLU-UHFFFAOYSA-N 0 3 444.584 0.655 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001543060401 1072033931 /nfs/dbraw/zinc/03/39/31/1072033931.db2.gz MDOZFUJYUFQPLD-UHFFFAOYSA-N 0 3 437.541 0.765 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)c2[nH]nc(C)c2I)CC1 ZINC001543060488 1072033971 /nfs/dbraw/zinc/03/39/71/1072033971.db2.gz PAFYZAXFSKLCAP-UHFFFAOYSA-N 0 3 433.294 0.949 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)CC1 ZINC001543060715 1072034066 /nfs/dbraw/zinc/03/40/66/1072034066.db2.gz STSGIERRCQIITD-UHFFFAOYSA-N 0 3 445.520 0.577 20 0 ICADHN Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001543061628 1072034481 /nfs/dbraw/zinc/03/44/81/1072034481.db2.gz HTXHSEPTGYXFOZ-UHFFFAOYSA-N 0 3 443.600 0.444 20 0 ICADHN Cc1cc(C)n(Cc2nnc(N3CCNC(=O)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001543066625 1072035499 /nfs/dbraw/zinc/03/54/99/1072035499.db2.gz GVMDETRIZFIPEU-UHFFFAOYSA-N 0 3 429.573 0.102 20 0 ICADHN Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001543072332 1072036902 /nfs/dbraw/zinc/03/69/02/1072036902.db2.gz PNFSOWQOIDOQCQ-UHFFFAOYSA-N 0 3 448.641 0.734 20 0 ICADHN CCOC(=O)[C@H]1CCCN(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC001543079177 1072037452 /nfs/dbraw/zinc/03/74/52/1072037452.db2.gz JZKFFOGCYHLGTA-IBGZPJMESA-N 0 3 432.569 0.770 20 0 ICADHN CCOC(=O)[C@@H]1CCCN(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC001543079181 1072037609 /nfs/dbraw/zinc/03/76/09/1072037609.db2.gz JZKFFOGCYHLGTA-LJQANCHMSA-N 0 3 432.569 0.770 20 0 ICADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001543092585 1072040300 /nfs/dbraw/zinc/04/03/00/1072040300.db2.gz YXUFNQCERSZZLP-CYBMUJFWSA-N 0 3 446.957 0.286 20 0 ICADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001543092587 1072039944 /nfs/dbraw/zinc/03/99/44/1072039944.db2.gz YXUFNQCERSZZLP-ZDUSSCGKSA-N 0 3 446.957 0.286 20 0 ICADHN Cc1nnc([C@H]2CN(c3nnc(C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097714 1072041386 /nfs/dbraw/zinc/04/13/86/1072041386.db2.gz ISMFGSSMYZWKBE-DLBZAZTESA-N 0 3 432.529 0.799 20 0 ICADHN Cc1nnc([C@H]2CN(c3nnc(C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097715 1072041213 /nfs/dbraw/zinc/04/12/13/1072041213.db2.gz ISMFGSSMYZWKBE-IAGOWNOFSA-N 0 3 432.529 0.799 20 0 ICADHN Cc1nnc([C@@H]2CN(c3nnc(C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097716 1072041288 /nfs/dbraw/zinc/04/12/88/1072041288.db2.gz ISMFGSSMYZWKBE-IRXDYDNUSA-N 0 3 432.529 0.799 20 0 ICADHN Cc1nnc([C@@H]2CN(c3nnc(C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)CCO2)o1 ZINC001543097717 1072041438 /nfs/dbraw/zinc/04/14/38/1072041438.db2.gz ISMFGSSMYZWKBE-SJORKVTESA-N 0 3 432.529 0.799 20 0 ICADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001543113095 1072043073 /nfs/dbraw/zinc/04/30/73/1072043073.db2.gz DLJLYNFPGVHGPF-HNNXBMFYSA-N 0 3 443.591 0.573 20 0 ICADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001543113098 1072043162 /nfs/dbraw/zinc/04/31/62/1072043162.db2.gz DLJLYNFPGVHGPF-OAHLLOKOSA-N 0 3 443.591 0.573 20 0 ICADHN Cn1nc2c(c1C(=O)Nc1cccc(CN3CCC(C(N)=O)CC3)c1)CS(=O)(=O)CC2 ZINC001543115993 1072042872 /nfs/dbraw/zinc/04/28/72/1072042872.db2.gz CUNRGWOHYPCCCU-UHFFFAOYSA-N 0 3 445.545 0.841 20 0 ICADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001543136964 1072045029 /nfs/dbraw/zinc/04/50/29/1072045029.db2.gz HGKWYYOCOUPCIT-UHFFFAOYSA-N 0 3 438.602 0.712 20 0 ICADHN CN1CCn2ncc(C(=O)NCCCCN3CCN(c4ccccc4)CC3)c2S1(=O)=O ZINC001543172405 1072047880 /nfs/dbraw/zinc/04/78/80/1072047880.db2.gz WACOCOMBWYOFBR-UHFFFAOYSA-N 0 3 446.577 0.849 20 0 ICADHN Cc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001543184701 1072048405 /nfs/dbraw/zinc/04/84/05/1072048405.db2.gz NSXBXGNLCLNTLN-DFQSSKMNSA-N 0 3 433.601 0.686 20 0 ICADHN Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001543184702 1072048529 /nfs/dbraw/zinc/04/85/29/1072048529.db2.gz NSXBXGNLCLNTLN-IHPCNDPISA-N 0 3 433.601 0.686 20 0 ICADHN Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001543184703 1072048685 /nfs/dbraw/zinc/04/86/85/1072048685.db2.gz NSXBXGNLCLNTLN-SXLOBPIMSA-N 0 3 433.601 0.686 20 0 ICADHN Cc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001543184704 1072048794 /nfs/dbraw/zinc/04/87/94/1072048794.db2.gz NSXBXGNLCLNTLN-YSIASYRMSA-N 0 3 433.601 0.686 20 0 ICADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001543232120 1072051601 /nfs/dbraw/zinc/05/16/01/1072051601.db2.gz LWORWZZFQLFPNL-RBUKOAKNSA-N 0 3 439.630 0.615 20 0 ICADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001543232121 1072051370 /nfs/dbraw/zinc/05/13/70/1072051370.db2.gz LWORWZZFQLFPNL-RTBURBONSA-N 0 3 439.630 0.615 20 0 ICADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001543232581 1072051556 /nfs/dbraw/zinc/05/15/56/1072051556.db2.gz UUMDRNANIILFON-GOSISDBHSA-N 0 3 428.603 0.252 20 0 ICADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCOCCS(C)(=O)=O ZINC001543232582 1072051392 /nfs/dbraw/zinc/05/13/92/1072051392.db2.gz UUMDRNANIILFON-SFHVURJKSA-N 0 3 428.603 0.252 20 0 ICADHN Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001543233851 1072051500 /nfs/dbraw/zinc/05/15/00/1072051500.db2.gz JOXRWMOTJSCRBB-GOSISDBHSA-N 0 3 432.573 0.523 20 0 ICADHN Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001543233852 1072051311 /nfs/dbraw/zinc/05/13/11/1072051311.db2.gz JOXRWMOTJSCRBB-SFHVURJKSA-N 0 3 432.573 0.523 20 0 ICADHN Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543271502 1072055162 /nfs/dbraw/zinc/05/51/62/1072055162.db2.gz UQTDGDNIUDWILK-KRWDZBQOSA-N 0 3 427.619 0.378 20 0 ICADHN Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543271503 1072055072 /nfs/dbraw/zinc/05/50/72/1072055072.db2.gz UQTDGDNIUDWILK-QGZVFWFLSA-N 0 3 427.619 0.378 20 0 ICADHN Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001543296362 1072057704 /nfs/dbraw/zinc/05/77/04/1072057704.db2.gz DCQFJZDLESFTQG-UHFFFAOYSA-N 0 3 439.564 0.990 20 0 ICADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001543301302 1072058882 /nfs/dbraw/zinc/05/88/82/1072058882.db2.gz SAVVAMQHGQUZSD-UHFFFAOYSA-N 0 3 446.577 0.783 20 0 ICADHN Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543315636 1072062451 /nfs/dbraw/zinc/06/24/51/1072062451.db2.gz FNKOXIUKGHISMA-UHFFFAOYSA-N 0 3 441.584 0.433 20 0 ICADHN Cc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCN1CCSCC1 ZINC001543330339 1072064900 /nfs/dbraw/zinc/06/49/00/1072064900.db2.gz DLAQOEDKRKLLQX-FQEVSTJZSA-N 0 3 437.658 0.867 20 0 ICADHN Cc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCN1CCSCC1 ZINC001543330340 1072064976 /nfs/dbraw/zinc/06/49/76/1072064976.db2.gz DLAQOEDKRKLLQX-HXUWFJFHSA-N 0 3 437.658 0.867 20 0 ICADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001543330449 1072064755 /nfs/dbraw/zinc/06/47/55/1072064755.db2.gz FWYXCMYRXMNIRX-GOSISDBHSA-N 0 3 426.587 0.417 20 0 ICADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001543330457 1072064574 /nfs/dbraw/zinc/06/45/74/1072064574.db2.gz FWYXCMYRXMNIRX-SFHVURJKSA-N 0 3 426.587 0.417 20 0 ICADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001543330883 1072064838 /nfs/dbraw/zinc/06/48/38/1072064838.db2.gz LWTXFRTYLUZOFW-UHFFFAOYSA-N 0 3 427.571 0.075 20 0 ICADHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CCNS(C)(=O)=O ZINC001543331719 1072065041 /nfs/dbraw/zinc/06/50/41/1072065041.db2.gz WGGDDDYDOLLSDM-UHFFFAOYSA-N 0 3 435.598 0.390 20 0 ICADHN Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001543333682 1072066213 /nfs/dbraw/zinc/06/62/13/1072066213.db2.gz OWCMKNAQAJTKEP-FQEVSTJZSA-N 0 3 448.593 0.959 20 0 ICADHN Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001543333685 1072066304 /nfs/dbraw/zinc/06/63/04/1072066304.db2.gz OWCMKNAQAJTKEP-HXUWFJFHSA-N 0 3 448.593 0.959 20 0 ICADHN Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001543333929 1072065987 /nfs/dbraw/zinc/06/59/87/1072065987.db2.gz SMHGVZHSVIZDKI-UHFFFAOYSA-N 0 3 447.609 0.880 20 0 ICADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc1 ZINC001543416742 1072071536 /nfs/dbraw/zinc/07/15/36/1072071536.db2.gz QEXKNOFDRNRWGL-SFHVURJKSA-N 0 3 443.479 0.776 20 0 ICADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1 ZINC001543445249 1072073998 /nfs/dbraw/zinc/07/39/98/1072073998.db2.gz UVCIXYKYAMSZTM-HNNXBMFYSA-N 0 3 433.534 0.745 20 0 ICADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1 ZINC001543445250 1072073938 /nfs/dbraw/zinc/07/39/38/1072073938.db2.gz UVCIXYKYAMSZTM-OAHLLOKOSA-N 0 3 433.534 0.745 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543488678 1072075510 /nfs/dbraw/zinc/07/55/10/1072075510.db2.gz DDUBLCGOEXKEJM-INIZCTEOSA-N 0 3 427.557 0.428 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543488682 1072075586 /nfs/dbraw/zinc/07/55/86/1072075586.db2.gz DDUBLCGOEXKEJM-MRXNPFEDSA-N 0 3 427.557 0.428 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001543493439 1072076287 /nfs/dbraw/zinc/07/62/87/1072076287.db2.gz ZOEADNNILFROPM-CABCVRRESA-N 0 3 426.587 0.435 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001543493440 1072076358 /nfs/dbraw/zinc/07/63/58/1072076358.db2.gz ZOEADNNILFROPM-GJZGRUSLSA-N 0 3 426.587 0.435 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001543493441 1072076467 /nfs/dbraw/zinc/07/64/67/1072076467.db2.gz ZOEADNNILFROPM-HUUCEWRRSA-N 0 3 426.587 0.435 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001543493442 1072076431 /nfs/dbraw/zinc/07/64/31/1072076431.db2.gz ZOEADNNILFROPM-LSDHHAIUSA-N 0 3 426.587 0.435 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543498111 1072076948 /nfs/dbraw/zinc/07/69/48/1072076948.db2.gz ASMMTUCLLQZKLA-GOSISDBHSA-N 0 3 440.596 0.957 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001543498112 1072076853 /nfs/dbraw/zinc/07/68/53/1072076853.db2.gz ASMMTUCLLQZKLA-SFHVURJKSA-N 0 3 440.596 0.957 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001543499862 1072077549 /nfs/dbraw/zinc/07/75/49/1072077549.db2.gz YJTYAXMELOXIAA-AEFFLSMTSA-N 0 3 431.585 0.840 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001543499864 1072077427 /nfs/dbraw/zinc/07/74/27/1072077427.db2.gz YJTYAXMELOXIAA-FUHWJXTLSA-N 0 3 431.585 0.840 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001543499865 1072077503 /nfs/dbraw/zinc/07/75/03/1072077503.db2.gz YJTYAXMELOXIAA-SJLPKXTDSA-N 0 3 431.585 0.840 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001543499866 1072077471 /nfs/dbraw/zinc/07/74/71/1072077471.db2.gz YJTYAXMELOXIAA-WMZOPIPTSA-N 0 3 431.585 0.840 20 0 ICADHN Cn1cc(C(=O)NCCCCN2CCN(C)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001543569869 1072080769 /nfs/dbraw/zinc/08/07/69/1072080769.db2.gz FZUXZEOYUZKGRZ-UHFFFAOYSA-N 0 3 438.532 0.974 20 0 ICADHN CN1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 ZINC001543569919 1072080735 /nfs/dbraw/zinc/08/07/35/1072080735.db2.gz GPBPSLVQDBLTHW-UHFFFAOYSA-N 0 3 430.596 0.860 20 0 ICADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(NC4=NCCC4)cc3)CC2)CC1 ZINC001543694218 1072085343 /nfs/dbraw/zinc/08/53/43/1072085343.db2.gz SXGHYIPCUODMGH-UHFFFAOYSA-N 0 3 434.566 0.541 20 0 ICADHN CN1CCN(CCCNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)[C@H](c2ccccc2)C1 ZINC001543699898 1072085592 /nfs/dbraw/zinc/08/55/92/1072085592.db2.gz UQKHISWQHFBCPU-IBGZPJMESA-N 0 3 446.577 0.626 20 0 ICADHN CN1CCN(CCCNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)[C@@H](c2ccccc2)C1 ZINC001543699900 1072085776 /nfs/dbraw/zinc/08/57/76/1072085776.db2.gz UQKHISWQHFBCPU-LJQANCHMSA-N 0 3 446.577 0.626 20 0 ICADHN Nc1nnnn1-c1cccc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC001543783038 1072090139 /nfs/dbraw/zinc/09/01/39/1072090139.db2.gz XYMAXAYBVDSDOA-UHFFFAOYSA-N 0 3 434.504 0.830 20 0 ICADHN CCN1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)cc2)CC1 ZINC001543808736 1072090879 /nfs/dbraw/zinc/09/08/79/1072090879.db2.gz GVTXNVYHKXNGLS-UHFFFAOYSA-N 0 3 432.550 0.907 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001543808820 1072090960 /nfs/dbraw/zinc/09/09/60/1072090960.db2.gz IYEDXTLZXMCSRF-UHFFFAOYSA-N 0 3 446.577 0.585 20 0 ICADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(n4cnnn4)CCOCC3)CC2)cc1 ZINC001543812593 1072091074 /nfs/dbraw/zinc/09/10/74/1072091074.db2.gz FXMXYSZWRLNQHP-UHFFFAOYSA-N 0 3 427.509 0.918 20 0 ICADHN CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001543828577 1072091810 /nfs/dbraw/zinc/09/18/10/1072091810.db2.gz FOOZJSYFOGDREU-UHFFFAOYSA-N 0 3 438.594 0.589 20 0 ICADHN CN1CCN(Cc2ccc(CNC(=O)c3cc4c(s3)n(C)c(=O)n(C)c4=O)cc2)CC1 ZINC001543968175 1072095214 /nfs/dbraw/zinc/09/52/14/1072095214.db2.gz ILRZNXLUHXDQRJ-UHFFFAOYSA-N 0 3 441.557 0.976 20 0 ICADHN CN(C)CCn1nccc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC001544014778 1072097865 /nfs/dbraw/zinc/09/78/65/1072097865.db2.gz ZUTQKCLEFNHDLA-UHFFFAOYSA-N 0 3 435.550 0.537 20 0 ICADHN C[C@@H]1CCCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O ZINC001544024919 1072098778 /nfs/dbraw/zinc/09/87/78/1072098778.db2.gz MALRUKPNASWUEK-CVEARBPZSA-N 0 3 426.587 0.975 20 0 ICADHN C[C@H]1CCCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O ZINC001544024922 1072098680 /nfs/dbraw/zinc/09/86/80/1072098680.db2.gz MALRUKPNASWUEK-HOTGVXAUSA-N 0 3 426.587 0.975 20 0 ICADHN C[C@@H]1CCCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O ZINC001544024925 1072098621 /nfs/dbraw/zinc/09/86/21/1072098621.db2.gz MALRUKPNASWUEK-HZPDHXFCSA-N 0 3 426.587 0.975 20 0 ICADHN C[C@H]1CCCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O ZINC001544024928 1072098715 /nfs/dbraw/zinc/09/87/15/1072098715.db2.gz MALRUKPNASWUEK-JKSUJKDBSA-N 0 3 426.587 0.975 20 0 ICADHN O=C(NCCCN1CCOCC1)C1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC001544375251 1072114682 /nfs/dbraw/zinc/11/46/82/1072114682.db2.gz GMRLABOEZPGURQ-UHFFFAOYSA-N 0 3 428.331 0.863 20 0 ICADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)c2)CC1 ZINC001544440758 1072117560 /nfs/dbraw/zinc/11/75/60/1072117560.db2.gz AOGFGVIDTGHRFR-SFHVURJKSA-N 0 3 443.479 0.647 20 0 ICADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cc21 ZINC001544493640 1072120725 /nfs/dbraw/zinc/12/07/25/1072120725.db2.gz ZEXYWOSOEHGKHG-KRWDZBQOSA-N 0 3 444.463 0.954 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001544501578 1072120713 /nfs/dbraw/zinc/12/07/13/1072120713.db2.gz JUXHTXCCDPAYPD-DLBZAZTESA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001544501581 1072120686 /nfs/dbraw/zinc/12/06/86/1072120686.db2.gz JUXHTXCCDPAYPD-IAGOWNOFSA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001544501583 1072121294 /nfs/dbraw/zinc/12/12/94/1072121294.db2.gz JUXHTXCCDPAYPD-IRXDYDNUSA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001544501585 1072121319 /nfs/dbraw/zinc/12/13/19/1072121319.db2.gz JUXHTXCCDPAYPD-SJORKVTESA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CC1 ZINC001544502553 1072121313 /nfs/dbraw/zinc/12/13/13/1072121313.db2.gz YKTRVQASOHFIHK-KRWDZBQOSA-N 0 3 438.598 0.629 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CC1 ZINC001544502554 1072121338 /nfs/dbraw/zinc/12/13/38/1072121338.db2.gz YKTRVQASOHFIHK-QGZVFWFLSA-N 0 3 438.598 0.629 20 0 ICADHN CC1CCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001544508181 1072121355 /nfs/dbraw/zinc/12/13/55/1072121355.db2.gz JAUUMKYWWGOQPS-UHFFFAOYSA-N 0 3 441.602 0.231 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1CCN1CCC(C)CC1 ZINC001544509422 1072121379 /nfs/dbraw/zinc/12/13/79/1072121379.db2.gz WYLUOJCWGJSPTQ-UHFFFAOYSA-N 0 3 429.591 0.134 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCN1CCC(C)CC1 ZINC001544509433 1072121286 /nfs/dbraw/zinc/12/12/86/1072121286.db2.gz XCLWPXGDMURTPX-UHFFFAOYSA-N 0 3 442.568 0.805 20 0 ICADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001544567397 1072124752 /nfs/dbraw/zinc/12/47/52/1072124752.db2.gz FGQMJXRCZZISGB-DLBZAZTESA-N 0 3 440.614 0.966 20 0 ICADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001544567398 1072124663 /nfs/dbraw/zinc/12/46/63/1072124663.db2.gz FGQMJXRCZZISGB-IAGOWNOFSA-N 0 3 440.614 0.966 20 0 ICADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001544567399 1072124731 /nfs/dbraw/zinc/12/47/31/1072124731.db2.gz FGQMJXRCZZISGB-IRXDYDNUSA-N 0 3 440.614 0.966 20 0 ICADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001544567400 1072125111 /nfs/dbraw/zinc/12/51/11/1072125111.db2.gz FGQMJXRCZZISGB-SJORKVTESA-N 0 3 440.614 0.966 20 0 ICADHN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC(=O)N1C ZINC001544593306 1072127631 /nfs/dbraw/zinc/12/76/31/1072127631.db2.gz XLQGDWBAJOQVLA-FOIQADDNSA-N 0 3 435.598 0.618 20 0 ICADHN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC(=O)N1C ZINC001544593307 1072127680 /nfs/dbraw/zinc/12/76/80/1072127680.db2.gz XLQGDWBAJOQVLA-MGPUTAFESA-N 0 3 435.598 0.618 20 0 ICADHN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC(=O)N1C ZINC001544593308 1072127608 /nfs/dbraw/zinc/12/76/08/1072127608.db2.gz XLQGDWBAJOQVLA-QRWLVFNGSA-N 0 3 435.598 0.618 20 0 ICADHN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC(=O)N1C ZINC001544593309 1072127652 /nfs/dbraw/zinc/12/76/52/1072127652.db2.gz XLQGDWBAJOQVLA-YWZLYKJASA-N 0 3 435.598 0.618 20 0 ICADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629395 1072129054 /nfs/dbraw/zinc/12/90/54/1072129054.db2.gz SUDNPUBQFJSNAF-DZGCQCFKSA-N 0 3 429.564 0.487 20 0 ICADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629396 1072129101 /nfs/dbraw/zinc/12/91/01/1072129101.db2.gz SUDNPUBQFJSNAF-HIFRSBDPSA-N 0 3 429.564 0.487 20 0 ICADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629397 1072129037 /nfs/dbraw/zinc/12/90/37/1072129037.db2.gz SUDNPUBQFJSNAF-UKRRQHHQSA-N 0 3 429.564 0.487 20 0 ICADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001544629398 1072129085 /nfs/dbraw/zinc/12/90/85/1072129085.db2.gz SUDNPUBQFJSNAF-ZFWWWQNUSA-N 0 3 429.564 0.487 20 0 ICADHN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC001544646101 1072132381 /nfs/dbraw/zinc/13/23/81/1072132381.db2.gz WRECYQJAWUVELK-HTAPYJJXSA-N 0 3 447.557 0.713 20 0 ICADHN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC001544646102 1072132458 /nfs/dbraw/zinc/13/24/58/1072132458.db2.gz WRECYQJAWUVELK-JTSKRJEESA-N 0 3 447.557 0.713 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC001544646104 1072132560 /nfs/dbraw/zinc/13/25/60/1072132560.db2.gz WRECYQJAWUVELK-VGOFRKELSA-N 0 3 447.557 0.713 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC001544646106 1072132403 /nfs/dbraw/zinc/13/24/03/1072132403.db2.gz WRECYQJAWUVELK-VGSWGCGISA-N 0 3 447.557 0.713 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)ccc2[nH]c1=O ZINC001544674008 1072135160 /nfs/dbraw/zinc/13/51/60/1072135160.db2.gz QELLFLNCUWIMLW-NRFANRHFSA-N 0 3 428.493 0.754 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)ccc2[nH]c1=O ZINC001544674012 1072135139 /nfs/dbraw/zinc/13/51/39/1072135139.db2.gz QELLFLNCUWIMLW-OAQYLSRUSA-N 0 3 428.493 0.754 20 0 ICADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001544685783 1072135661 /nfs/dbraw/zinc/13/56/61/1072135661.db2.gz XDURHTWLZCOSKS-UHFFFAOYSA-N 0 3 428.551 0.727 20 0 ICADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001544768184 1072140186 /nfs/dbraw/zinc/14/01/86/1072140186.db2.gz QZHDZFVXNFRZCH-UHFFFAOYSA-N 0 3 427.477 0.999 20 0 ICADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@]12CCN(C1)CCC2 ZINC001544823477 1072143354 /nfs/dbraw/zinc/14/33/54/1072143354.db2.gz UECKUNRQTMOUCE-NRFANRHFSA-N 0 3 436.578 0.990 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC001544910320 1072151578 /nfs/dbraw/zinc/15/15/78/1072151578.db2.gz CHAOMLRZQNLQDM-GIMINZRKSA-N 0 3 436.553 0.953 20 0 ICADHN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC001544910324 1072151533 /nfs/dbraw/zinc/15/15/33/1072151533.db2.gz CHAOMLRZQNLQDM-LBUQITIBSA-N 0 3 436.553 0.953 20 0 ICADHN COC1(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)CS(=O)(=O)C1 ZINC001544910569 1072151567 /nfs/dbraw/zinc/15/15/67/1072151567.db2.gz DYGUCQWOCFPREU-UHFFFAOYSA-N 0 3 437.562 0.287 20 0 ICADHN Cn1cc(I)c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 ZINC001544911517 1072151516 /nfs/dbraw/zinc/15/15/16/1072151516.db2.gz LSRTWULXKDOJJB-GFCCVEGCSA-N 0 3 431.278 0.579 20 0 ICADHN Cn1cc(I)c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 ZINC001544911518 1072151468 /nfs/dbraw/zinc/15/14/68/1072151468.db2.gz LSRTWULXKDOJJB-LBPRGKRZSA-N 0 3 431.278 0.579 20 0 ICADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001544912119 1072151438 /nfs/dbraw/zinc/15/14/38/1072151438.db2.gz QOHBUODANJWUBU-PMACEKPBSA-N 0 3 444.532 0.965 20 0 ICADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001544912121 1072151459 /nfs/dbraw/zinc/15/14/59/1072151459.db2.gz QOHBUODANJWUBU-UXHICEINSA-N 0 3 444.532 0.965 20 0 ICADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001544912122 1072151499 /nfs/dbraw/zinc/15/14/99/1072151499.db2.gz QOHBUODANJWUBU-VQTJNVASSA-N 0 3 444.532 0.965 20 0 ICADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001544912124 1072151601 /nfs/dbraw/zinc/15/16/01/1072151601.db2.gz QOHBUODANJWUBU-WOJBJXKFSA-N 0 3 444.532 0.965 20 0 ICADHN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CCO1 ZINC001544922540 1072154165 /nfs/dbraw/zinc/15/41/65/1072154165.db2.gz BJNDNRVGKFCZRX-DLBZAZTESA-N 0 3 442.586 0.322 20 0 ICADHN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CCO1 ZINC001544922545 1072154091 /nfs/dbraw/zinc/15/40/91/1072154091.db2.gz BJNDNRVGKFCZRX-IAGOWNOFSA-N 0 3 442.586 0.322 20 0 ICADHN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CCO1 ZINC001544922549 1072154152 /nfs/dbraw/zinc/15/41/52/1072154152.db2.gz BJNDNRVGKFCZRX-IRXDYDNUSA-N 0 3 442.586 0.322 20 0 ICADHN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CCO1 ZINC001544922553 1072154168 /nfs/dbraw/zinc/15/41/68/1072154168.db2.gz BJNDNRVGKFCZRX-SJORKVTESA-N 0 3 442.586 0.322 20 0 ICADHN C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C(=O)N1c1cnn(C)c1 ZINC001545035051 1072160881 /nfs/dbraw/zinc/16/08/81/1072160881.db2.gz JDDJUCLAQZHBHF-CXAGYDPISA-N 0 3 425.493 0.961 20 0 ICADHN C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C(=O)N1c1cnn(C)c1 ZINC001545035052 1072160857 /nfs/dbraw/zinc/16/08/57/1072160857.db2.gz JDDJUCLAQZHBHF-DYVFJYSZSA-N 0 3 425.493 0.961 20 0 ICADHN C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C(=O)N1c1cnn(C)c1 ZINC001545035053 1072160824 /nfs/dbraw/zinc/16/08/24/1072160824.db2.gz JDDJUCLAQZHBHF-GUYCJALGSA-N 0 3 425.493 0.961 20 0 ICADHN C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C(=O)N1c1cnn(C)c1 ZINC001545035054 1072160791 /nfs/dbraw/zinc/16/07/91/1072160791.db2.gz JDDJUCLAQZHBHF-SUMWQHHRSA-N 0 3 425.493 0.961 20 0 ICADHN C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO ZINC001545116064 1072169124 /nfs/dbraw/zinc/16/91/24/1072169124.db2.gz BNYBGIWVVVRTCA-FGTMMUONSA-N 0 3 441.598 0.642 20 0 ICADHN C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO ZINC001545116065 1072169003 /nfs/dbraw/zinc/16/90/03/1072169003.db2.gz BNYBGIWVVVRTCA-KURKYZTESA-N 0 3 441.598 0.642 20 0 ICADHN C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO ZINC001545116066 1072169065 /nfs/dbraw/zinc/16/90/65/1072169065.db2.gz BNYBGIWVVVRTCA-KZNAEPCWSA-N 0 3 441.598 0.642 20 0 ICADHN C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO ZINC001545116067 1072169162 /nfs/dbraw/zinc/16/91/62/1072169162.db2.gz BNYBGIWVVVRTCA-SQNIBIBYSA-N 0 3 441.598 0.642 20 0 ICADHN CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001545224329 1072184990 /nfs/dbraw/zinc/18/49/90/1072184990.db2.gz DNNAFTXUFNXCJG-MRUHUIDDSA-N 0 3 433.557 0.133 20 0 ICADHN CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001545224330 1072184959 /nfs/dbraw/zinc/18/49/59/1072184959.db2.gz DNNAFTXUFNXCJG-QYWGDWMGSA-N 0 3 433.557 0.133 20 0 ICADHN CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001545224331 1072184890 /nfs/dbraw/zinc/18/48/90/1072184890.db2.gz DNNAFTXUFNXCJG-XFQAVAEZSA-N 0 3 433.557 0.133 20 0 ICADHN CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001545224332 1072184846 /nfs/dbraw/zinc/18/48/46/1072184846.db2.gz DNNAFTXUFNXCJG-ZOCZFRKYSA-N 0 3 433.557 0.133 20 0 ICADHN CC(C)OCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)CC1 ZINC001545344584 1072192268 /nfs/dbraw/zinc/19/22/68/1072192268.db2.gz RZNFPFFYYVAHFP-INIZCTEOSA-N 0 3 427.567 0.965 20 0 ICADHN CC(C)OCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)CC1 ZINC001545344585 1072192092 /nfs/dbraw/zinc/19/20/92/1072192092.db2.gz RZNFPFFYYVAHFP-MRXNPFEDSA-N 0 3 427.567 0.965 20 0 ICADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437726 1072195450 /nfs/dbraw/zinc/19/54/50/1072195450.db2.gz DZSJAYQBSYEIAJ-DLBZAZTESA-N 0 3 427.619 0.557 20 0 ICADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437727 1072195284 /nfs/dbraw/zinc/19/52/84/1072195284.db2.gz DZSJAYQBSYEIAJ-IAGOWNOFSA-N 0 3 427.619 0.557 20 0 ICADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437728 1072195538 /nfs/dbraw/zinc/19/55/38/1072195538.db2.gz DZSJAYQBSYEIAJ-IRXDYDNUSA-N 0 3 427.619 0.557 20 0 ICADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCNS(C)(=O)=O ZINC001545437729 1072195359 /nfs/dbraw/zinc/19/53/59/1072195359.db2.gz DZSJAYQBSYEIAJ-SJORKVTESA-N 0 3 427.619 0.557 20 0 ICADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438486 1072195569 /nfs/dbraw/zinc/19/55/69/1072195569.db2.gz RZTYHEGKVBTXKX-MSOLQXFVSA-N 0 3 441.646 0.947 20 0 ICADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438487 1072195305 /nfs/dbraw/zinc/19/53/05/1072195305.db2.gz RZTYHEGKVBTXKX-QZTJIDSGSA-N 0 3 441.646 0.947 20 0 ICADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438488 1072195418 /nfs/dbraw/zinc/19/54/18/1072195418.db2.gz RZTYHEGKVBTXKX-ROUUACIJSA-N 0 3 441.646 0.947 20 0 ICADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCCNS(C)(=O)=O ZINC001545438489 1072195299 /nfs/dbraw/zinc/19/52/99/1072195299.db2.gz RZTYHEGKVBTXKX-ZWKOTPCHSA-N 0 3 441.646 0.947 20 0 ICADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)cc21 ZINC001545513124 1072200043 /nfs/dbraw/zinc/20/00/43/1072200043.db2.gz YMDNTMXANLBSIW-GOSISDBHSA-N 0 3 431.537 0.867 20 0 ICADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[C@H](OCCN4CCOCC4)C3)cc21 ZINC001545513125 1072200343 /nfs/dbraw/zinc/20/03/43/1072200343.db2.gz YMDNTMXANLBSIW-SFHVURJKSA-N 0 3 431.537 0.867 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCn1cnnn1 ZINC001545518370 1072200856 /nfs/dbraw/zinc/20/08/56/1072200856.db2.gz HIWUTCKARQBQCV-DLBZAZTESA-N 0 3 430.561 0.611 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCn1cnnn1 ZINC001545518371 1072200758 /nfs/dbraw/zinc/20/07/58/1072200758.db2.gz HIWUTCKARQBQCV-IAGOWNOFSA-N 0 3 430.561 0.611 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCn1cnnn1 ZINC001545518372 1072200803 /nfs/dbraw/zinc/20/08/03/1072200803.db2.gz HIWUTCKARQBQCV-IRXDYDNUSA-N 0 3 430.561 0.611 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCn1cnnn1 ZINC001545518373 1072200956 /nfs/dbraw/zinc/20/09/56/1072200956.db2.gz HIWUTCKARQBQCV-SJORKVTESA-N 0 3 430.561 0.611 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCS(C)(=O)=O ZINC001545518728 1072201312 /nfs/dbraw/zinc/20/13/12/1072201312.db2.gz MVGZMABYGIVVJH-INIZCTEOSA-N 0 3 428.603 0.827 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCS(C)(=O)=O ZINC001545518729 1072200922 /nfs/dbraw/zinc/20/09/22/1072200922.db2.gz MVGZMABYGIVVJH-MRXNPFEDSA-N 0 3 428.603 0.827 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001545563771 1072203935 /nfs/dbraw/zinc/20/39/35/1072203935.db2.gz BTMZFPIAVMJOII-INIZCTEOSA-N 0 3 428.603 0.889 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001545563772 1072203993 /nfs/dbraw/zinc/20/39/93/1072203993.db2.gz BTMZFPIAVMJOII-MRXNPFEDSA-N 0 3 428.603 0.889 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001545564199 1072203972 /nfs/dbraw/zinc/20/39/72/1072203972.db2.gz JWRMHHTTZHQXDW-MSOLQXFVSA-N 0 3 440.614 0.986 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001545564200 1072203924 /nfs/dbraw/zinc/20/39/24/1072203924.db2.gz JWRMHHTTZHQXDW-QZTJIDSGSA-N 0 3 440.614 0.986 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001545564201 1072203802 /nfs/dbraw/zinc/20/38/02/1072203802.db2.gz JWRMHHTTZHQXDW-ROUUACIJSA-N 0 3 440.614 0.986 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001545564202 1072203873 /nfs/dbraw/zinc/20/38/73/1072203873.db2.gz JWRMHHTTZHQXDW-ZWKOTPCHSA-N 0 3 440.614 0.986 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001546226102 1070089148 /nfs/dbraw/zinc/08/91/48/1070089148.db2.gz FEXQJPXRBUXETQ-DRSNIGMVSA-N 0 3 438.569 0.929 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001546226103 1070088957 /nfs/dbraw/zinc/08/89/57/1070088957.db2.gz FEXQJPXRBUXETQ-HYFFOGBASA-N 0 3 438.569 0.929 20 0 ICADHN Cc1n[nH]c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1I ZINC001546226243 1070091879 /nfs/dbraw/zinc/09/18/79/1070091879.db2.gz JOFNGGXNMHJSMM-LLVKDONJSA-N 0 3 433.294 0.995 20 0 ICADHN Cc1n[nH]c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1I ZINC001546226244 1070091786 /nfs/dbraw/zinc/09/17/86/1070091786.db2.gz JOFNGGXNMHJSMM-NSHDSACASA-N 0 3 433.294 0.995 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001546226425 1070093714 /nfs/dbraw/zinc/09/37/14/1070093714.db2.gz OZXHCHVRMMMNRS-DLBZAZTESA-N 0 3 438.569 0.626 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001546226426 1070093912 /nfs/dbraw/zinc/09/39/12/1070093912.db2.gz OZXHCHVRMMMNRS-IAGOWNOFSA-N 0 3 438.569 0.626 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001546226427 1070093662 /nfs/dbraw/zinc/09/36/62/1070093662.db2.gz OZXHCHVRMMMNRS-IRXDYDNUSA-N 0 3 438.569 0.626 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001546226428 1070093820 /nfs/dbraw/zinc/09/38/20/1070093820.db2.gz OZXHCHVRMMMNRS-SJORKVTESA-N 0 3 438.569 0.626 20 0 ICADHN CN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)C1CCN(CCc2ccccn2)CC1 ZINC001546254800 1070221199 /nfs/dbraw/zinc/22/11/99/1070221199.db2.gz SDLWIWQRIWUVBX-UHFFFAOYSA-N 0 3 432.550 0.691 20 0 ICADHN CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001546394299 1071220804 /nfs/dbraw/zinc/22/08/04/1071220804.db2.gz AWHJYICHUHIXRH-GOSISDBHSA-N 0 3 430.557 0.682 20 0 ICADHN CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001546394300 1071220854 /nfs/dbraw/zinc/22/08/54/1071220854.db2.gz AWHJYICHUHIXRH-SFHVURJKSA-N 0 3 430.557 0.682 20 0 ICADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001546411067 1071243791 /nfs/dbraw/zinc/24/37/91/1071243791.db2.gz FCHQJFQWMYMCNI-KRWDZBQOSA-N 0 3 443.556 0.626 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCn1ccnn1 ZINC001546442923 1071332809 /nfs/dbraw/zinc/33/28/09/1071332809.db2.gz DVJNTZZSNLNCPF-HKUYNNGSSA-N 0 3 429.573 0.901 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCn1ccnn1 ZINC001546442924 1071332911 /nfs/dbraw/zinc/33/29/11/1071332911.db2.gz DVJNTZZSNLNCPF-IEBWSBKVSA-N 0 3 429.573 0.901 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCCn1ccnn1 ZINC001546442925 1071332618 /nfs/dbraw/zinc/33/26/18/1071332618.db2.gz DVJNTZZSNLNCPF-MJGOQNOKSA-N 0 3 429.573 0.901 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCn1ccnn1 ZINC001546442926 1071332488 /nfs/dbraw/zinc/33/24/88/1071332488.db2.gz DVJNTZZSNLNCPF-PKOBYXMFSA-N 0 3 429.573 0.901 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)N1CCOCC1 ZINC001546443118 1071333501 /nfs/dbraw/zinc/33/35/01/1071333501.db2.gz ILLZYHRRGTYLKG-HKUYNNGSSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)N1CCOCC1 ZINC001546443119 1071333300 /nfs/dbraw/zinc/33/33/00/1071333300.db2.gz ILLZYHRRGTYLKG-IEBWSBKVSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)N1CCOCC1 ZINC001546443120 1071332861 /nfs/dbraw/zinc/33/28/61/1071332861.db2.gz ILLZYHRRGTYLKG-MJGOQNOKSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)N1CCOCC1 ZINC001546443121 1071333263 /nfs/dbraw/zinc/33/32/63/1071333263.db2.gz ILLZYHRRGTYLKG-PKOBYXMFSA-N 0 3 447.584 0.078 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(O)CCOCC1 ZINC001546443723 1071334382 /nfs/dbraw/zinc/33/43/82/1071334382.db2.gz UORAOZIZWSPUEV-HKUYNNGSSA-N 0 3 434.585 0.761 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(O)CCOCC1 ZINC001546443724 1071334464 /nfs/dbraw/zinc/33/44/64/1071334464.db2.gz UORAOZIZWSPUEV-IEBWSBKVSA-N 0 3 434.585 0.761 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(O)CCOCC1 ZINC001546443725 1071334533 /nfs/dbraw/zinc/33/45/33/1071334533.db2.gz UORAOZIZWSPUEV-MJGOQNOKSA-N 0 3 434.585 0.761 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(O)CCOCC1 ZINC001546443726 1071335195 /nfs/dbraw/zinc/33/51/95/1071335195.db2.gz UORAOZIZWSPUEV-PKOBYXMFSA-N 0 3 434.585 0.761 20 0 ICADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546473803 1071414789 /nfs/dbraw/zinc/41/47/89/1071414789.db2.gz KOPPGPXDRMHGQR-GOSISDBHSA-N 0 3 440.614 0.813 20 0 ICADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCn1cc(CO)nn1 ZINC001546479263 1071442808 /nfs/dbraw/zinc/44/28/08/1071442808.db2.gz HHXQNNYBSVHELW-IBGZPJMESA-N 0 3 431.589 0.619 20 0 ICADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCn1cc(CO)nn1 ZINC001546479264 1071442859 /nfs/dbraw/zinc/44/28/59/1071442859.db2.gz HHXQNNYBSVHELW-LJQANCHMSA-N 0 3 431.589 0.619 20 0 ICADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001546479496 1071443473 /nfs/dbraw/zinc/44/34/73/1071443473.db2.gz PISCCSCYIOEXPQ-FQEVSTJZSA-N 0 3 432.617 0.221 20 0 ICADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001546479497 1071443533 /nfs/dbraw/zinc/44/35/33/1071443533.db2.gz PISCCSCYIOEXPQ-HXUWFJFHSA-N 0 3 432.617 0.221 20 0 ICADHN CCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CCCN1CCN(CC)CC1 ZINC001546482090 1071461270 /nfs/dbraw/zinc/46/12/70/1071461270.db2.gz AVVXWEGLCSKMRC-UHFFFAOYSA-N 0 3 441.646 0.776 20 0 ICADHN CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCN1CCN(CC)CC1 ZINC001546482262 1071461880 /nfs/dbraw/zinc/46/18/80/1071461880.db2.gz HTTLPOVKLXCEIF-UHFFFAOYSA-N 0 3 427.619 0.386 20 0 ICADHN CCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001546518606 1071755679 /nfs/dbraw/zinc/75/56/79/1071755679.db2.gz IKAREWQZHWEJEQ-GOSISDBHSA-N 0 3 441.646 0.586 20 0 ICADHN CCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001546518607 1071755614 /nfs/dbraw/zinc/75/56/14/1071755614.db2.gz IKAREWQZHWEJEQ-SFHVURJKSA-N 0 3 441.646 0.586 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001546521867 1072211377 /nfs/dbraw/zinc/21/13/77/1072211377.db2.gz FZPWQEGLADVZFO-PMACEKPBSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001546521868 1072211519 /nfs/dbraw/zinc/21/15/19/1072211519.db2.gz FZPWQEGLADVZFO-UXHICEINSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001546521869 1072211433 /nfs/dbraw/zinc/21/14/33/1072211433.db2.gz FZPWQEGLADVZFO-VQTJNVASSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001546521870 1072211449 /nfs/dbraw/zinc/21/14/49/1072211449.db2.gz FZPWQEGLADVZFO-WOJBJXKFSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001546521965 1072211533 /nfs/dbraw/zinc/21/15/33/1072211533.db2.gz IKMLCLALJKQDPE-GOSISDBHSA-N 0 3 427.553 0.639 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001546521966 1072211469 /nfs/dbraw/zinc/21/14/69/1072211469.db2.gz IKMLCLALJKQDPE-SFHVURJKSA-N 0 3 427.553 0.639 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001546522506 1072211960 /nfs/dbraw/zinc/21/19/60/1072211960.db2.gz ZILQUKKRTSBCMA-CYBMUJFWSA-N 0 3 431.463 0.262 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001546522507 1072212099 /nfs/dbraw/zinc/21/20/99/1072212099.db2.gz ZILQUKKRTSBCMA-ZDUSSCGKSA-N 0 3 431.463 0.262 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccn(CC)c1=O ZINC001546522737 1072211929 /nfs/dbraw/zinc/21/19/29/1072211929.db2.gz IWHKOUUGYWEITL-UHFFFAOYSA-N 0 3 427.553 0.815 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCN1CCOCC1(C)C ZINC001546522742 1072212144 /nfs/dbraw/zinc/21/21/44/1072212144.db2.gz JFMOPVLLUQJYJU-UHFFFAOYSA-N 0 3 435.617 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001546522766 1072211974 /nfs/dbraw/zinc/21/19/74/1072211974.db2.gz JSZCUBMTCJCXPW-FQEVSTJZSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001546522767 1072212046 /nfs/dbraw/zinc/21/20/46/1072212046.db2.gz JSZCUBMTCJCXPW-HXUWFJFHSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cn(C2COC2)nn1 ZINC001546522850 1072212657 /nfs/dbraw/zinc/21/26/57/1072212657.db2.gz MGGGHRULUOGYBJ-UHFFFAOYSA-N 0 3 431.545 0.042 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001546523011 1072212638 /nfs/dbraw/zinc/21/26/38/1072212638.db2.gz UJPJPQJSHGTYBO-UHFFFAOYSA-N 0 3 429.569 0.886 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCN1CCCCC1=O ZINC001546523064 1072212572 /nfs/dbraw/zinc/21/25/72/1072212572.db2.gz WBZBMWQFNYPMDD-UHFFFAOYSA-N 0 3 431.585 0.988 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001546523101 1072212668 /nfs/dbraw/zinc/21/26/68/1072212668.db2.gz XSRCQWUMZJFAGO-IBGZPJMESA-N 0 3 431.585 0.843 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001546523102 1072212592 /nfs/dbraw/zinc/21/25/92/1072212592.db2.gz XSRCQWUMZJFAGO-LJQANCHMSA-N 0 3 431.585 0.843 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001546523147 1072212619 /nfs/dbraw/zinc/21/26/19/1072212619.db2.gz ZDHUCFNWFAZUPE-UHFFFAOYSA-N 0 3 433.601 0.696 20 0 ICADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001546534695 1072214773 /nfs/dbraw/zinc/21/47/73/1072214773.db2.gz KZABCDCDXDFXFY-SJLPKXTDSA-N 0 3 440.614 0.954 20 0 ICADHN CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001546534768 1072214792 /nfs/dbraw/zinc/21/47/92/1072214792.db2.gz NNGKTMQLHSHZID-FQEVSTJZSA-N 0 3 446.644 0.611 20 0 ICADHN CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001546534769 1072215415 /nfs/dbraw/zinc/21/54/15/1072215415.db2.gz NNGKTMQLHSHZID-HXUWFJFHSA-N 0 3 446.644 0.611 20 0 ICADHN CCc1nnc(N2CCN(CC(C)C)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001546537329 1072215792 /nfs/dbraw/zinc/21/57/92/1072215792.db2.gz OVTIZBRWIRYSMM-UHFFFAOYSA-N 0 3 425.559 0.726 20 0 ICADHN CCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001546560032 1072219772 /nfs/dbraw/zinc/21/97/72/1072219772.db2.gz LJDKBRWLNSRDNF-KSZLIROESA-N 0 3 431.585 0.840 20 0 ICADHN CCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001546560033 1072219605 /nfs/dbraw/zinc/21/96/05/1072219605.db2.gz LJDKBRWLNSRDNF-RCCFBDPRSA-N 0 3 431.585 0.840 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001546582076 1072226013 /nfs/dbraw/zinc/22/60/13/1072226013.db2.gz NOZVLMHUQKIOQJ-MSOLQXFVSA-N 0 3 433.601 0.913 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001546582077 1072225696 /nfs/dbraw/zinc/22/56/96/1072225696.db2.gz NOZVLMHUQKIOQJ-QZTJIDSGSA-N 0 3 433.601 0.913 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001546582078 1072225843 /nfs/dbraw/zinc/22/58/43/1072225843.db2.gz NOZVLMHUQKIOQJ-ROUUACIJSA-N 0 3 433.601 0.913 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001546582079 1072225664 /nfs/dbraw/zinc/22/56/64/1072225664.db2.gz NOZVLMHUQKIOQJ-ZWKOTPCHSA-N 0 3 433.601 0.913 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001546582782 1072226266 /nfs/dbraw/zinc/22/62/66/1072226266.db2.gz FXTXKWHNZHAGRE-DOTOQJQBSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001546582785 1072226330 /nfs/dbraw/zinc/22/63/30/1072226330.db2.gz FXTXKWHNZHAGRE-NVXWUHKLSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001546582787 1072226523 /nfs/dbraw/zinc/22/65/23/1072226523.db2.gz FXTXKWHNZHAGRE-RDJZCZTQSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001546582789 1072226471 /nfs/dbraw/zinc/22/64/71/1072226471.db2.gz FXTXKWHNZHAGRE-WBVHZDCISA-N 0 3 438.598 0.769 20 0 ICADHN CCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001546830101 1072242384 /nfs/dbraw/zinc/24/23/84/1072242384.db2.gz KUOLHINOSXUAKY-JOCHJYFZSA-N 0 3 449.600 0.712 20 0 ICADHN CCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001546830102 1072242315 /nfs/dbraw/zinc/24/23/15/1072242315.db2.gz KUOLHINOSXUAKY-QFIPXVFZSA-N 0 3 449.600 0.712 20 0 ICADHN CCC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001546911935 1072246554 /nfs/dbraw/zinc/24/65/54/1072246554.db2.gz KUEDIFHREQADNS-MSOLQXFVSA-N 0 3 447.584 0.789 20 0 ICADHN CCC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001546911936 1072246524 /nfs/dbraw/zinc/24/65/24/1072246524.db2.gz KUEDIFHREQADNS-QZTJIDSGSA-N 0 3 447.584 0.789 20 0 ICADHN CCC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001546911937 1072246626 /nfs/dbraw/zinc/24/66/26/1072246626.db2.gz KUEDIFHREQADNS-ROUUACIJSA-N 0 3 447.584 0.789 20 0 ICADHN CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001546911938 1072246562 /nfs/dbraw/zinc/24/65/62/1072246562.db2.gz KUEDIFHREQADNS-ZWKOTPCHSA-N 0 3 447.584 0.789 20 0 ICADHN CCC[C@H]1CN(c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)CCN1CCOC ZINC001546946166 1072248652 /nfs/dbraw/zinc/24/86/52/1072248652.db2.gz WGAGJHPNSMAKJR-KRWDZBQOSA-N 0 3 429.587 0.463 20 0 ICADHN CCC[C@@H]1CN(c2nnc(C)n2CC2(O)CCS(=O)(=O)CC2)CCN1CCOC ZINC001546946167 1072248736 /nfs/dbraw/zinc/24/87/36/1072248736.db2.gz WGAGJHPNSMAKJR-QGZVFWFLSA-N 0 3 429.587 0.463 20 0 ICADHN CCC[C@H]1CN(c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)CCN1CCOC ZINC001546958411 1072249179 /nfs/dbraw/zinc/24/91/79/1072249179.db2.gz XPCPIPJZURQUQR-KRWDZBQOSA-N 0 3 443.614 0.717 20 0 ICADHN CCC[C@@H]1CN(c2nnc(CC)n2CC2(O)CCS(=O)(=O)CC2)CCN1CCOC ZINC001546958412 1072249716 /nfs/dbraw/zinc/24/97/16/1072249716.db2.gz XPCPIPJZURQUQR-QGZVFWFLSA-N 0 3 443.614 0.717 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547120670 1072254905 /nfs/dbraw/zinc/25/49/05/1072254905.db2.gz ZNDRSUHZYVJBGN-INIZCTEOSA-N 0 3 426.587 0.975 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547120671 1072255371 /nfs/dbraw/zinc/25/53/71/1072255371.db2.gz ZNDRSUHZYVJBGN-MRXNPFEDSA-N 0 3 426.587 0.975 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547121526 1072255517 /nfs/dbraw/zinc/25/55/17/1072255517.db2.gz VFVAKUSHOVQMHG-JXFKEZNVSA-N 0 3 438.598 0.771 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547121527 1072255426 /nfs/dbraw/zinc/25/54/26/1072255426.db2.gz VFVAKUSHOVQMHG-OXJNMPFZSA-N 0 3 438.598 0.771 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001547121528 1072255471 /nfs/dbraw/zinc/25/54/71/1072255471.db2.gz VFVAKUSHOVQMHG-OXQOHEQNSA-N 0 3 438.598 0.771 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001547121529 1072255349 /nfs/dbraw/zinc/25/53/49/1072255349.db2.gz VFVAKUSHOVQMHG-UZLBHIALSA-N 0 3 438.598 0.771 20 0 ICADHN CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001547147249 1072150988 /nfs/dbraw/zinc/15/09/88/1072150988.db2.gz SAQBRGMHQKKANY-CABCVRRESA-N 0 3 427.575 0.041 20 0 ICADHN CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001547147250 1072150965 /nfs/dbraw/zinc/15/09/65/1072150965.db2.gz SAQBRGMHQKKANY-GJZGRUSLSA-N 0 3 427.575 0.041 20 0 ICADHN CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547147251 1072150905 /nfs/dbraw/zinc/15/09/05/1072150905.db2.gz SAQBRGMHQKKANY-HUUCEWRRSA-N 0 3 427.575 0.041 20 0 ICADHN CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547147252 1072150866 /nfs/dbraw/zinc/15/08/66/1072150866.db2.gz SAQBRGMHQKKANY-LSDHHAIUSA-N 0 3 427.575 0.041 20 0 ICADHN CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001547157502 1072256974 /nfs/dbraw/zinc/25/69/74/1072256974.db2.gz SJLSSABSOYULJH-INIZCTEOSA-N 0 3 426.587 0.581 20 0 ICADHN CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001547157503 1072256931 /nfs/dbraw/zinc/25/69/31/1072256931.db2.gz SJLSSABSOYULJH-MRXNPFEDSA-N 0 3 426.587 0.581 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001547169095 1072257528 /nfs/dbraw/zinc/25/75/28/1072257528.db2.gz UKVCYNYNOSDYSC-DLBZAZTESA-N 0 3 429.587 0.969 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001547169096 1072257604 /nfs/dbraw/zinc/25/76/04/1072257604.db2.gz UKVCYNYNOSDYSC-IAGOWNOFSA-N 0 3 429.587 0.969 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001547169098 1072257507 /nfs/dbraw/zinc/25/75/07/1072257507.db2.gz UKVCYNYNOSDYSC-IRXDYDNUSA-N 0 3 429.587 0.969 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001547169100 1072257296 /nfs/dbraw/zinc/25/72/96/1072257296.db2.gz UKVCYNYNOSDYSC-SJORKVTESA-N 0 3 429.587 0.969 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001547174938 1072257546 /nfs/dbraw/zinc/25/75/46/1072257546.db2.gz LTASIUSGUIMWBE-DLBZAZTESA-N 0 3 440.614 0.873 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001547174939 1072257321 /nfs/dbraw/zinc/25/73/21/1072257321.db2.gz LTASIUSGUIMWBE-IAGOWNOFSA-N 0 3 440.614 0.873 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001547174940 1072257446 /nfs/dbraw/zinc/25/74/46/1072257446.db2.gz LTASIUSGUIMWBE-IRXDYDNUSA-N 0 3 440.614 0.873 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001547174941 1072257966 /nfs/dbraw/zinc/25/79/66/1072257966.db2.gz LTASIUSGUIMWBE-SJORKVTESA-N 0 3 440.614 0.873 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001547175214 1072258145 /nfs/dbraw/zinc/25/81/45/1072258145.db2.gz QZIKKMSRMHAJBM-IKGGRYGDSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001547175215 1072258207 /nfs/dbraw/zinc/25/82/07/1072258207.db2.gz QZIKKMSRMHAJBM-IXDOHACOSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001547175216 1072258168 /nfs/dbraw/zinc/25/81/68/1072258168.db2.gz QZIKKMSRMHAJBM-ULQDDVLXSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001547175217 1072258023 /nfs/dbraw/zinc/25/80/23/1072258023.db2.gz QZIKKMSRMHAJBM-YESZJQIVSA-N 0 3 438.598 0.579 20 0 ICADHN CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001547241007 1072264845 /nfs/dbraw/zinc/26/48/45/1072264845.db2.gz RSYNGIUPSMBTPQ-KRWDZBQOSA-N 0 3 430.557 0.753 20 0 ICADHN CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001547241008 1072264806 /nfs/dbraw/zinc/26/48/06/1072264806.db2.gz RSYNGIUPSMBTPQ-QGZVFWFLSA-N 0 3 430.557 0.753 20 0 ICADHN CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001547246943 1072267169 /nfs/dbraw/zinc/26/71/69/1072267169.db2.gz GSBOMMKMWFANFB-GOSISDBHSA-N 0 3 448.616 0.547 20 0 ICADHN CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001547246944 1072267204 /nfs/dbraw/zinc/26/72/04/1072267204.db2.gz GSBOMMKMWFANFB-SFHVURJKSA-N 0 3 448.616 0.547 20 0 ICADHN CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547252747 1072268546 /nfs/dbraw/zinc/26/85/46/1072268546.db2.gz FLSZQCABQFSAOT-GOSISDBHSA-N 0 3 440.552 0.609 20 0 ICADHN CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001547252748 1072268609 /nfs/dbraw/zinc/26/86/09/1072268609.db2.gz FLSZQCABQFSAOT-SFHVURJKSA-N 0 3 440.552 0.609 20 0 ICADHN CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001547258116 1072271995 /nfs/dbraw/zinc/27/19/95/1072271995.db2.gz IOEXPLZFPZXSCS-UHFFFAOYSA-N 0 3 447.584 0.475 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001547261942 1072273814 /nfs/dbraw/zinc/27/38/14/1072273814.db2.gz MIKOKKLHUZVAMN-QGZVFWFLSA-N 0 3 433.557 0.400 20 0 ICADHN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001547309353 1072275866 /nfs/dbraw/zinc/27/58/66/1072275866.db2.gz GSXKDXYKUUNXMU-GOSISDBHSA-N 0 3 448.616 0.499 20 0 ICADHN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001547309354 1072275840 /nfs/dbraw/zinc/27/58/40/1072275840.db2.gz GSXKDXYKUUNXMU-SFHVURJKSA-N 0 3 448.616 0.499 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001547310075 1072276178 /nfs/dbraw/zinc/27/61/78/1072276178.db2.gz QFOOQRKQWPLEGY-HNNXBMFYSA-N 0 3 429.591 0.145 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 ZINC001547310080 1072276453 /nfs/dbraw/zinc/27/64/53/1072276453.db2.gz QFOOQRKQWPLEGY-OAHLLOKOSA-N 0 3 429.591 0.145 20 0 ICADHN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001547310336 1072276837 /nfs/dbraw/zinc/27/68/37/1072276837.db2.gz TZHKSBAYSGAYGV-INIZCTEOSA-N 0 3 435.573 0.584 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547314634 1072277736 /nfs/dbraw/zinc/27/77/36/1072277736.db2.gz CBULBRTWXVEZRB-GOSISDBHSA-N 0 3 440.552 0.561 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001547314637 1072277812 /nfs/dbraw/zinc/27/78/12/1072277812.db2.gz CBULBRTWXVEZRB-SFHVURJKSA-N 0 3 440.552 0.561 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001547314840 1072277898 /nfs/dbraw/zinc/27/78/98/1072277898.db2.gz GFTVJVIVQALDIC-UHFFFAOYSA-N 0 3 442.568 0.506 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001547317817 1072280182 /nfs/dbraw/zinc/28/01/82/1072280182.db2.gz CODFZKCVAMQAOD-MSOLQXFVSA-N 0 3 447.584 0.393 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547317818 1072280410 /nfs/dbraw/zinc/28/04/10/1072280410.db2.gz CODFZKCVAMQAOD-QZTJIDSGSA-N 0 3 447.584 0.393 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001547317819 1072280231 /nfs/dbraw/zinc/28/02/31/1072280231.db2.gz CODFZKCVAMQAOD-ROUUACIJSA-N 0 3 447.584 0.393 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547317820 1072280369 /nfs/dbraw/zinc/28/03/69/1072280369.db2.gz CODFZKCVAMQAOD-ZWKOTPCHSA-N 0 3 447.584 0.393 20 0 ICADHN CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001547318927 1072281493 /nfs/dbraw/zinc/28/14/93/1072281493.db2.gz PNKLECCOHWLTGQ-GOSISDBHSA-N 0 3 447.584 0.742 20 0 ICADHN CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001547318932 1072281336 /nfs/dbraw/zinc/28/13/36/1072281336.db2.gz PNKLECCOHWLTGQ-SFHVURJKSA-N 0 3 447.584 0.742 20 0 ICADHN CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001547331556 1072283745 /nfs/dbraw/zinc/28/37/45/1072283745.db2.gz HSEIJLLMCCWOTB-INIZCTEOSA-N 0 3 443.618 0.093 20 0 ICADHN CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001547331558 1072283767 /nfs/dbraw/zinc/28/37/67/1072283767.db2.gz HSEIJLLMCCWOTB-MRXNPFEDSA-N 0 3 443.618 0.093 20 0 ICADHN CCN(CC)C(=O)CN1CCN(c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001547415619 1072292414 /nfs/dbraw/zinc/29/24/14/1072292414.db2.gz YJQDUEQBLYTHMU-UHFFFAOYSA-N 0 3 434.633 0.603 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547428611 1072295484 /nfs/dbraw/zinc/29/54/84/1072295484.db2.gz DRNZGCXWQDEYOE-GOEBONIOSA-N 0 3 426.587 0.973 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001547428612 1072295419 /nfs/dbraw/zinc/29/54/19/1072295419.db2.gz DRNZGCXWQDEYOE-HOCLYGCPSA-N 0 3 426.587 0.973 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001547430322 1072295284 /nfs/dbraw/zinc/29/52/84/1072295284.db2.gz JXRWKUFWDORULF-ARFHVFGLSA-N 0 3 428.603 0.729 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001547430327 1072295497 /nfs/dbraw/zinc/29/54/97/1072295497.db2.gz JXRWKUFWDORULF-BZUAXINKSA-N 0 3 428.603 0.729 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001547430329 1072295472 /nfs/dbraw/zinc/29/54/72/1072295472.db2.gz JXRWKUFWDORULF-OAGGEKHMSA-N 0 3 428.603 0.729 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001547430332 1072295376 /nfs/dbraw/zinc/29/53/76/1072295376.db2.gz JXRWKUFWDORULF-XHSDSOJGSA-N 0 3 428.603 0.729 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430884 1072295326 /nfs/dbraw/zinc/29/53/26/1072295326.db2.gz MHSOMLISXIGOLY-CVEARBPZSA-N 0 3 442.586 0.799 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430885 1072295840 /nfs/dbraw/zinc/29/58/40/1072295840.db2.gz MHSOMLISXIGOLY-HOTGVXAUSA-N 0 3 442.586 0.799 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430886 1072295898 /nfs/dbraw/zinc/29/58/98/1072295898.db2.gz MHSOMLISXIGOLY-HZPDHXFCSA-N 0 3 442.586 0.799 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001547430887 1072295958 /nfs/dbraw/zinc/29/59/58/1072295958.db2.gz MHSOMLISXIGOLY-JKSUJKDBSA-N 0 3 442.586 0.799 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001547431180 1072295934 /nfs/dbraw/zinc/29/59/34/1072295934.db2.gz NRDFSIIFCMIOPL-BRWVUGGUSA-N 0 3 429.587 0.762 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001547431181 1072295785 /nfs/dbraw/zinc/29/57/85/1072295785.db2.gz NRDFSIIFCMIOPL-IKGGRYGDSA-N 0 3 429.587 0.762 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001547431182 1072295874 /nfs/dbraw/zinc/29/58/74/1072295874.db2.gz NRDFSIIFCMIOPL-IXDOHACOSA-N 0 3 429.587 0.762 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001547431183 1072295974 /nfs/dbraw/zinc/29/59/74/1072295974.db2.gz NRDFSIIFCMIOPL-ZACQAIPSSA-N 0 3 429.587 0.762 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001547433515 1072295991 /nfs/dbraw/zinc/29/59/91/1072295991.db2.gz ZENCVXKKWVYEMQ-DOTOQJQBSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001547433517 1072295802 /nfs/dbraw/zinc/29/58/02/1072295802.db2.gz ZENCVXKKWVYEMQ-RDJZCZTQSA-N 0 3 440.614 0.873 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(C)c2)CC1 ZINC001547473997 1072297303 /nfs/dbraw/zinc/29/73/03/1072297303.db2.gz DVIMZBRFFCVZNY-UHFFFAOYSA-N 0 3 445.572 0.189 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCO2)CC1 ZINC001547474265 1072297257 /nfs/dbraw/zinc/29/72/57/1072297257.db2.gz LNIXVSWQEJFYHG-JOCHJYFZSA-N 0 3 449.600 0.976 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCO2)CC1 ZINC001547474266 1072297240 /nfs/dbraw/zinc/29/72/40/1072297240.db2.gz LNIXVSWQEJFYHG-QFIPXVFZSA-N 0 3 449.600 0.976 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NC)CC1 ZINC001547474688 1072297346 /nfs/dbraw/zinc/29/73/46/1072297346.db2.gz AXIAKDOWQQCKJV-UHFFFAOYSA-N 0 3 431.541 0.973 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2COCCO2)CC1 ZINC001547474894 1072297357 /nfs/dbraw/zinc/29/73/57/1072297357.db2.gz BETCQXGAYBGBRC-GOSISDBHSA-N 0 3 445.568 0.689 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2COCCO2)CC1 ZINC001547474923 1072297822 /nfs/dbraw/zinc/29/78/22/1072297822.db2.gz CHPRKGFUASDZPI-SFHVURJKSA-N 0 3 446.556 0.084 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001547474969 1072297740 /nfs/dbraw/zinc/29/77/40/1072297740.db2.gz IBWFEVLUAFBVRJ-KRWDZBQOSA-N 0 3 426.587 0.402 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001547474970 1072297711 /nfs/dbraw/zinc/29/77/11/1072297711.db2.gz IBWFEVLUAFBVRJ-QGZVFWFLSA-N 0 3 426.587 0.402 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC)CC1 ZINC001547475103 1072297702 /nfs/dbraw/zinc/29/77/02/1072297702.db2.gz GBMRBQMDVALDSD-UHFFFAOYSA-N 0 3 430.557 0.410 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)CC1 ZINC001547475112 1072297752 /nfs/dbraw/zinc/29/77/52/1072297752.db2.gz GIEDGBVZVRILSU-MSOLQXFVSA-N 0 3 445.568 0.912 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)CC1 ZINC001547475113 1072297677 /nfs/dbraw/zinc/29/76/77/1072297677.db2.gz GIEDGBVZVRILSU-QZTJIDSGSA-N 0 3 445.568 0.912 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)CC1 ZINC001547475114 1072297653 /nfs/dbraw/zinc/29/76/53/1072297653.db2.gz GIEDGBVZVRILSU-ROUUACIJSA-N 0 3 445.568 0.912 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)CC1 ZINC001547475115 1072297840 /nfs/dbraw/zinc/29/78/40/1072297840.db2.gz GIEDGBVZVRILSU-ZWKOTPCHSA-N 0 3 445.568 0.912 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCCS(C)(=O)=O)CC1 ZINC001547475165 1072297764 /nfs/dbraw/zinc/29/77/64/1072297764.db2.gz LXMBIBBBZXIFND-UHFFFAOYSA-N 0 3 428.603 0.827 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC2)CC1 ZINC001547475628 1072297861 /nfs/dbraw/zinc/29/78/61/1072297861.db2.gz WBTGGJGERHKKLV-HNNXBMFYSA-N 0 3 441.602 0.289 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC2)CC1 ZINC001547475629 1072297717 /nfs/dbraw/zinc/29/77/17/1072297717.db2.gz WBTGGJGERHKKLV-OAHLLOKOSA-N 0 3 441.602 0.289 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccoc2)CC1 ZINC001547475669 1072297806 /nfs/dbraw/zinc/29/78/06/1072297806.db2.gz PDCGSIUPSAFXAZ-KRWDZBQOSA-N 0 3 429.525 0.861 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccoc2)CC1 ZINC001547475670 1072297790 /nfs/dbraw/zinc/29/77/90/1072297790.db2.gz PDCGSIUPSAFXAZ-QGZVFWFLSA-N 0 3 429.525 0.861 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001547475812 1072297883 /nfs/dbraw/zinc/29/78/83/1072297883.db2.gz RJZHDPCRNZKMRK-UHFFFAOYSA-N 0 3 445.490 0.824 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC1 ZINC001547475815 1072297925 /nfs/dbraw/zinc/29/79/25/1072297925.db2.gz RKMUHSQFYQKORO-UHFFFAOYSA-N 0 3 442.568 0.809 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3noc4c3COCC4)n2CCOC)CC1 ZINC001547475869 1072297688 /nfs/dbraw/zinc/29/76/88/1072297688.db2.gz TVHHCHJQPPVZAC-UHFFFAOYSA-N 0 3 447.540 0.643 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N(C)C)CC1 ZINC001547475891 1072297777 /nfs/dbraw/zinc/29/77/77/1072297777.db2.gz UKGWONFTZNYTEI-UHFFFAOYSA-N 0 3 445.572 0.147 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2cnnn2C)CC1 ZINC001547475917 1072297667 /nfs/dbraw/zinc/29/76/67/1072297667.db2.gz VUJHWBHHHLEJKR-UHFFFAOYSA-N 0 3 438.540 0.507 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnnn2C)CC1 ZINC001547475918 1072297904 /nfs/dbraw/zinc/29/79/04/1072297904.db2.gz VVQGMUFUCIRZSX-UHFFFAOYSA-N 0 3 426.529 0.440 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCCc2cnn(C)n2)CC1 ZINC001547476021 1072298262 /nfs/dbraw/zinc/29/82/62/1072298262.db2.gz YZWHMUANRXGOMD-UHFFFAOYSA-N 0 3 429.573 0.907 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2COCCO2)CC1 ZINC001547476115 1072298405 /nfs/dbraw/zinc/29/84/05/1072298405.db2.gz DFXIFAQYWPUMDR-MSOLQXFVSA-N 0 3 436.557 0.188 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2COCCO2)CC1 ZINC001547476116 1072298595 /nfs/dbraw/zinc/29/85/95/1072298595.db2.gz DFXIFAQYWPUMDR-ROUUACIJSA-N 0 3 436.557 0.188 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)CC)CC1 ZINC001547476357 1072298547 /nfs/dbraw/zinc/29/85/47/1072298547.db2.gz KRTFHZAJZIXNGD-KRWDZBQOSA-N 0 3 435.573 0.251 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)CC)CC1 ZINC001547476358 1072298307 /nfs/dbraw/zinc/29/83/07/1072298307.db2.gz KRTFHZAJZIXNGD-QGZVFWFLSA-N 0 3 435.573 0.251 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(C)c2)CC1 ZINC001547476413 1072298562 /nfs/dbraw/zinc/29/85/62/1072298562.db2.gz MMZWSVGRDOLXFQ-GOSISDBHSA-N 0 3 430.557 0.554 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(C)c2)CC1 ZINC001547476414 1072298505 /nfs/dbraw/zinc/29/85/05/1072298505.db2.gz MMZWSVGRDOLXFQ-SFHVURJKSA-N 0 3 430.557 0.554 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001547476520 1072298365 /nfs/dbraw/zinc/29/83/65/1072298365.db2.gz PXSDQFUSMPVEOR-INIZCTEOSA-N 0 3 435.573 0.381 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001547476521 1072298460 /nfs/dbraw/zinc/29/84/60/1072298460.db2.gz PXSDQFUSMPVEOR-MRXNPFEDSA-N 0 3 435.573 0.381 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC2)CC1 ZINC001547476715 1072298288 /nfs/dbraw/zinc/29/82/88/1072298288.db2.gz VSDWQWKIYRIXQK-UHFFFAOYSA-N 0 3 427.553 0.779 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2snnc2C)CC1 ZINC001547476721 1072298431 /nfs/dbraw/zinc/29/84/31/1072298431.db2.gz VWUDYHZBBJYFPM-INIZCTEOSA-N 0 3 448.597 0.981 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2snnc2C)CC1 ZINC001547476722 1072298580 /nfs/dbraw/zinc/29/85/80/1072298580.db2.gz VWUDYHZBBJYFPM-MRXNPFEDSA-N 0 3 448.597 0.981 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)CC)CC1 ZINC001547476771 1072298274 /nfs/dbraw/zinc/29/82/74/1072298274.db2.gz XGZWXAVPQLEREO-GOSISDBHSA-N 0 3 449.600 0.641 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)CC)CC1 ZINC001547476772 1072298344 /nfs/dbraw/zinc/29/83/44/1072298344.db2.gz XGZWXAVPQLEREO-SFHVURJKSA-N 0 3 449.600 0.641 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCn2cncn2)CC1 ZINC001547476811 1072298383 /nfs/dbraw/zinc/29/83/83/1072298383.db2.gz ARFPXQJDQUKOSU-QGZVFWFLSA-N 0 3 431.545 0.412 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)O)CC1 ZINC001547477147 1072298485 /nfs/dbraw/zinc/29/84/85/1072298485.db2.gz JBYLUSUGVDXYET-UHFFFAOYSA-N 0 3 446.600 0.901 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2COCCO2)CC1 ZINC001547477152 1072298328 /nfs/dbraw/zinc/29/83/28/1072298328.db2.gz JDDDMVMDWIYYRC-QZTJIDSGSA-N 0 3 436.557 0.535 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)OC)CC1 ZINC001547477426 1072298527 /nfs/dbraw/zinc/29/85/27/1072298527.db2.gz NZERGGSEHQLTSQ-KRWDZBQOSA-N 0 3 435.573 0.426 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)OC)CC1 ZINC001547477427 1072299127 /nfs/dbraw/zinc/29/91/27/1072299127.db2.gz NZERGGSEHQLTSQ-QGZVFWFLSA-N 0 3 435.573 0.426 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001547499291 1072301785 /nfs/dbraw/zinc/30/17/85/1072301785.db2.gz BQRIBTXCUHGBLF-MSOLQXFVSA-N 0 3 442.630 0.679 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001547499302 1072301808 /nfs/dbraw/zinc/30/18/08/1072301808.db2.gz BQRIBTXCUHGBLF-QZTJIDSGSA-N 0 3 442.630 0.679 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001547499734 1072301610 /nfs/dbraw/zinc/30/16/10/1072301610.db2.gz LRRGCLKWTCYYFZ-CVEARBPZSA-N 0 3 428.603 0.871 20 0 ICADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001547499735 1072301763 /nfs/dbraw/zinc/30/17/63/1072301763.db2.gz LRRGCLKWTCYYFZ-HZPDHXFCSA-N 0 3 428.603 0.871 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001547590765 1072308244 /nfs/dbraw/zinc/30/82/44/1072308244.db2.gz UJWURECWBDKXBE-CVEARBPZSA-N 0 3 426.587 0.612 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001547590766 1072308112 /nfs/dbraw/zinc/30/81/12/1072308112.db2.gz UJWURECWBDKXBE-HOTGVXAUSA-N 0 3 426.587 0.612 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001547590767 1072307887 /nfs/dbraw/zinc/30/78/87/1072307887.db2.gz UJWURECWBDKXBE-HZPDHXFCSA-N 0 3 426.587 0.612 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001547590768 1072308231 /nfs/dbraw/zinc/30/82/31/1072308231.db2.gz UJWURECWBDKXBE-JKSUJKDBSA-N 0 3 426.587 0.612 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001547590788 1072308137 /nfs/dbraw/zinc/30/81/37/1072308137.db2.gz USQDKTZZYVGLMK-YESZJQIVSA-N 0 3 429.587 0.761 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001547590789 1072307911 /nfs/dbraw/zinc/30/79/11/1072307911.db2.gz USQDKTZZYVGLMK-ZACQAIPSSA-N 0 3 429.587 0.761 20 0 ICADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001547626963 1072316424 /nfs/dbraw/zinc/31/64/24/1072316424.db2.gz ISNGEGRTMVXMOI-MRXNPFEDSA-N 0 3 445.572 0.766 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)C[C@H]1C ZINC001547631836 1072318331 /nfs/dbraw/zinc/31/83/31/1072318331.db2.gz ABZUCRARUZYUCW-CABCVRRESA-N 0 3 431.545 0.546 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)C[C@@H]1C ZINC001547631837 1072318180 /nfs/dbraw/zinc/31/81/80/1072318180.db2.gz ABZUCRARUZYUCW-GJZGRUSLSA-N 0 3 431.545 0.546 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)C[C@H]1C ZINC001547631838 1072318749 /nfs/dbraw/zinc/31/87/49/1072318749.db2.gz ABZUCRARUZYUCW-HUUCEWRRSA-N 0 3 431.545 0.546 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)C[C@@H]1C ZINC001547631839 1072318548 /nfs/dbraw/zinc/31/85/48/1072318548.db2.gz ABZUCRARUZYUCW-LSDHHAIUSA-N 0 3 431.545 0.546 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547632454 1072318816 /nfs/dbraw/zinc/31/88/16/1072318816.db2.gz FIXMFMYNOOTHLL-DLBZAZTESA-N 0 3 433.557 0.292 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547632455 1072318660 /nfs/dbraw/zinc/31/86/60/1072318660.db2.gz FIXMFMYNOOTHLL-IAGOWNOFSA-N 0 3 433.557 0.292 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547632456 1072318579 /nfs/dbraw/zinc/31/85/79/1072318579.db2.gz FIXMFMYNOOTHLL-IRXDYDNUSA-N 0 3 433.557 0.292 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547632457 1072318694 /nfs/dbraw/zinc/31/86/94/1072318694.db2.gz FIXMFMYNOOTHLL-SJORKVTESA-N 0 3 433.557 0.292 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001547634498 1072319365 /nfs/dbraw/zinc/31/93/65/1072319365.db2.gz GOMIBMWCMXTOEY-LAIHZFQQSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001547634499 1072319099 /nfs/dbraw/zinc/31/90/99/1072319099.db2.gz GOMIBMWCMXTOEY-SIBFUHKCSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001547634500 1072319047 /nfs/dbraw/zinc/31/90/47/1072319047.db2.gz GOMIBMWCMXTOEY-XHWCBRGXSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001547634501 1072319413 /nfs/dbraw/zinc/31/94/13/1072319413.db2.gz GOMIBMWCMXTOEY-XZLOLGPPSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001547636974 1072319550 /nfs/dbraw/zinc/31/95/50/1072319550.db2.gz XHOQMAOUGROWAS-BPKGMFCQSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C ZINC001547636977 1072319458 /nfs/dbraw/zinc/31/94/58/1072319458.db2.gz XHOQMAOUGROWAS-JSRQGNBESA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001547636979 1072319486 /nfs/dbraw/zinc/31/94/86/1072319486.db2.gz XHOQMAOUGROWAS-QUSNUVHPSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C ZINC001547636982 1072319148 /nfs/dbraw/zinc/31/91/48/1072319148.db2.gz XHOQMAOUGROWAS-ZOFXXKQRSA-N 0 3 444.602 0.347 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001547642555 1072320228 /nfs/dbraw/zinc/32/02/28/1072320228.db2.gz SGYVNMRCMMCCGN-CVEARBPZSA-N 0 3 438.602 0.927 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001547642556 1072320145 /nfs/dbraw/zinc/32/01/45/1072320145.db2.gz SGYVNMRCMMCCGN-HOTGVXAUSA-N 0 3 438.602 0.927 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001547642557 1072319828 /nfs/dbraw/zinc/31/98/28/1072319828.db2.gz SGYVNMRCMMCCGN-HZPDHXFCSA-N 0 3 438.602 0.927 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001547642558 1072320210 /nfs/dbraw/zinc/32/02/10/1072320210.db2.gz SGYVNMRCMMCCGN-JKSUJKDBSA-N 0 3 438.602 0.927 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547643962 1072320166 /nfs/dbraw/zinc/32/01/66/1072320166.db2.gz BCGPEHHBHLWAGL-ILXRZTDVSA-N 0 3 427.575 0.087 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001547643963 1072319847 /nfs/dbraw/zinc/31/98/47/1072319847.db2.gz BCGPEHHBHLWAGL-KKUMJFAQSA-N 0 3 427.575 0.087 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001547643964 1072319868 /nfs/dbraw/zinc/31/98/68/1072319868.db2.gz BCGPEHHBHLWAGL-QLFBSQMISA-N 0 3 427.575 0.087 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001547643965 1072320100 /nfs/dbraw/zinc/32/01/00/1072320100.db2.gz BCGPEHHBHLWAGL-SOUVJXGZSA-N 0 3 427.575 0.087 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644186 1072320131 /nfs/dbraw/zinc/32/01/31/1072320131.db2.gz DQRWZIQIYCJBRM-AOIWGVFYSA-N 0 3 446.600 0.312 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001547644187 1072319896 /nfs/dbraw/zinc/31/98/96/1072319896.db2.gz DQRWZIQIYCJBRM-JENIJYKNSA-N 0 3 446.600 0.312 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001547644188 1072320266 /nfs/dbraw/zinc/32/02/66/1072320266.db2.gz DQRWZIQIYCJBRM-LNLFQRSKSA-N 0 3 446.600 0.312 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001547644189 1072319987 /nfs/dbraw/zinc/31/99/87/1072319987.db2.gz DQRWZIQIYCJBRM-ZIFCJYIRSA-N 0 3 446.600 0.312 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@@H]1C ZINC001547645258 1072319928 /nfs/dbraw/zinc/31/99/28/1072319928.db2.gz GYLJFZYYFROJIF-HRCADAONSA-N 0 3 444.602 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@@H]1C ZINC001547645259 1072320057 /nfs/dbraw/zinc/32/00/57/1072320057.db2.gz GYLJFZYYFROJIF-JYJNAYRXSA-N 0 3 444.602 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@H]1C ZINC001547645260 1072319951 /nfs/dbraw/zinc/31/99/51/1072319951.db2.gz GYLJFZYYFROJIF-OWCLPIDISA-N 0 3 444.602 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C[C@H]1C ZINC001547645261 1072320077 /nfs/dbraw/zinc/32/00/77/1072320077.db2.gz GYLJFZYYFROJIF-PMPSAXMXSA-N 0 3 444.602 0.301 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001547646660 1072320672 /nfs/dbraw/zinc/32/06/72/1072320672.db2.gz OXRQUWIUYPUGGW-IKGGRYGDSA-N 0 3 426.587 0.736 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001547646661 1072320806 /nfs/dbraw/zinc/32/08/06/1072320806.db2.gz OXRQUWIUYPUGGW-IXDOHACOSA-N 0 3 426.587 0.736 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C[C@@H]1C ZINC001547646662 1072321000 /nfs/dbraw/zinc/32/10/00/1072321000.db2.gz OXRQUWIUYPUGGW-ULQDDVLXSA-N 0 3 426.587 0.736 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C[C@@H]1C ZINC001547646663 1072320756 /nfs/dbraw/zinc/32/07/56/1072320756.db2.gz OXRQUWIUYPUGGW-YESZJQIVSA-N 0 3 426.587 0.736 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001547647782 1072320857 /nfs/dbraw/zinc/32/08/57/1072320857.db2.gz YRWYGLGBJYABEX-HLLBOEOZSA-N 0 3 438.598 0.973 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001547647783 1072320648 /nfs/dbraw/zinc/32/06/48/1072320648.db2.gz YRWYGLGBJYABEX-VYDXJSESSA-N 0 3 438.598 0.973 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001547647784 1072320602 /nfs/dbraw/zinc/32/06/02/1072320602.db2.gz YRWYGLGBJYABEX-YQQAZPJKSA-N 0 3 438.598 0.973 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001547647785 1072320884 /nfs/dbraw/zinc/32/08/84/1072320884.db2.gz YRWYGLGBJYABEX-ZOBUZTSGSA-N 0 3 438.598 0.973 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001547648036 1072320573 /nfs/dbraw/zinc/32/05/73/1072320573.db2.gz URYXROHQSKBNMY-IKGGRYGDSA-N 0 3 429.587 0.762 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001547648037 1072320975 /nfs/dbraw/zinc/32/09/75/1072320975.db2.gz URYXROHQSKBNMY-IXDOHACOSA-N 0 3 429.587 0.762 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001547648038 1072320784 /nfs/dbraw/zinc/32/07/84/1072320784.db2.gz URYXROHQSKBNMY-ULQDDVLXSA-N 0 3 429.587 0.762 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001547648039 1072321019 /nfs/dbraw/zinc/32/10/19/1072321019.db2.gz URYXROHQSKBNMY-YESZJQIVSA-N 0 3 429.587 0.762 20 0 ICADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001547678228 1072325620 /nfs/dbraw/zinc/32/56/20/1072325620.db2.gz CTRKJGYYUWBGME-MOPGFXCFSA-N 0 3 447.584 0.730 20 0 ICADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001547678231 1072325568 /nfs/dbraw/zinc/32/55/68/1072325568.db2.gz CTRKJGYYUWBGME-OALUTQOASA-N 0 3 447.584 0.730 20 0 ICADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001547678233 1072325440 /nfs/dbraw/zinc/32/54/40/1072325440.db2.gz CTRKJGYYUWBGME-RBUKOAKNSA-N 0 3 447.584 0.730 20 0 ICADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001547678235 1072325663 /nfs/dbraw/zinc/32/56/63/1072325663.db2.gz CTRKJGYYUWBGME-RTBURBONSA-N 0 3 447.584 0.730 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1)C(C)C ZINC001547694145 1072327075 /nfs/dbraw/zinc/32/70/75/1072327075.db2.gz JNTPFDJPKDYLNJ-KRWDZBQOSA-N 0 3 440.614 0.969 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1)C(C)C ZINC001547694146 1072326999 /nfs/dbraw/zinc/32/69/99/1072326999.db2.gz JNTPFDJPKDYLNJ-QGZVFWFLSA-N 0 3 440.614 0.969 20 0 ICADHN CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CCOC)CC1=O ZINC001547697173 1072328340 /nfs/dbraw/zinc/32/83/40/1072328340.db2.gz DXXINJWBXNJWPW-UHFFFAOYSA-N 0 3 432.573 0.777 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547699472 1072329135 /nfs/dbraw/zinc/32/91/35/1072329135.db2.gz ATZVWUMAVZSYLM-IBGZPJMESA-N 0 3 443.600 0.530 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001547699473 1072328928 /nfs/dbraw/zinc/32/89/28/1072328928.db2.gz ATZVWUMAVZSYLM-LJQANCHMSA-N 0 3 443.600 0.530 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001547699474 1072328796 /nfs/dbraw/zinc/32/87/96/1072328796.db2.gz AUEDKAZTFIRMQD-KRWDZBQOSA-N 0 3 439.630 0.653 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001547699475 1072329212 /nfs/dbraw/zinc/32/92/12/1072329212.db2.gz AUEDKAZTFIRMQD-QGZVFWFLSA-N 0 3 439.630 0.653 20 0 ICADHN CCN(C1CCN(c2nnc(C)n2C[C@H](C)N2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC001547699644 1072329035 /nfs/dbraw/zinc/32/90/35/1072329035.db2.gz IBGSEKMWKGFZHR-KRWDZBQOSA-N 0 3 441.646 0.863 20 0 ICADHN CCN(C1CCN(c2nnc(C)n2C[C@@H](C)N2CCN(CC)CC2)CC1)S(C)(=O)=O ZINC001547699650 1072329185 /nfs/dbraw/zinc/32/91/85/1072329185.db2.gz IBGSEKMWKGFZHR-QGZVFWFLSA-N 0 3 441.646 0.863 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700306 1072328967 /nfs/dbraw/zinc/32/89/67/1072328967.db2.gz FHHURCGEXSGPFU-AEFFLSMTSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700307 1072329638 /nfs/dbraw/zinc/32/96/38/1072329638.db2.gz FHHURCGEXSGPFU-FUHWJXTLSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700308 1072329698 /nfs/dbraw/zinc/32/96/98/1072329698.db2.gz FHHURCGEXSGPFU-SJLPKXTDSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547700309 1072329531 /nfs/dbraw/zinc/32/95/31/1072329531.db2.gz FHHURCGEXSGPFU-WMZOPIPTSA-N 0 3 446.600 0.347 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)C2)CC1 ZINC001547700757 1072329497 /nfs/dbraw/zinc/32/94/97/1072329497.db2.gz PARPUACBUMHXHL-BBWFWOEESA-N 0 3 427.619 0.761 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)C2)CC1 ZINC001547700760 1072329808 /nfs/dbraw/zinc/32/98/08/1072329808.db2.gz PARPUACBUMHXHL-BRWVUGGUSA-N 0 3 427.619 0.761 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)C2)CC1 ZINC001547700762 1072329599 /nfs/dbraw/zinc/32/95/99/1072329599.db2.gz PARPUACBUMHXHL-GVDBMIGSSA-N 0 3 427.619 0.761 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)C2)CC1 ZINC001547700764 1072329784 /nfs/dbraw/zinc/32/97/84/1072329784.db2.gz PARPUACBUMHXHL-ZACQAIPSSA-N 0 3 427.619 0.761 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547700924 1072329667 /nfs/dbraw/zinc/32/96/67/1072329667.db2.gz ILZOQSYERAAVSA-KRWDZBQOSA-N 0 3 442.572 0.223 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547700930 1072329753 /nfs/dbraw/zinc/32/97/53/1072329753.db2.gz ILZOQSYERAAVSA-QGZVFWFLSA-N 0 3 442.572 0.223 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001547701039 1072329716 /nfs/dbraw/zinc/32/97/16/1072329716.db2.gz MMNSQQZZVNKOPE-HNNXBMFYSA-N 0 3 432.960 0.956 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCNC(=O)C2)CC1 ZINC001547701042 1072329613 /nfs/dbraw/zinc/32/96/13/1072329613.db2.gz MMNSQQZZVNKOPE-OAHLLOKOSA-N 0 3 432.960 0.956 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001547701159 1072329835 /nfs/dbraw/zinc/32/98/35/1072329835.db2.gz JMYGPAWENPNYRL-DLBZAZTESA-N 0 3 431.589 0.523 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001547701161 1072329879 /nfs/dbraw/zinc/32/98/79/1072329879.db2.gz JMYGPAWENPNYRL-IAGOWNOFSA-N 0 3 431.589 0.523 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001547701163 1072329561 /nfs/dbraw/zinc/32/95/61/1072329561.db2.gz JMYGPAWENPNYRL-IRXDYDNUSA-N 0 3 431.589 0.523 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001547701164 1072329577 /nfs/dbraw/zinc/32/95/77/1072329577.db2.gz JMYGPAWENPNYRL-SJORKVTESA-N 0 3 431.589 0.523 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547701842 1072330488 /nfs/dbraw/zinc/33/04/88/1072330488.db2.gz MDWGPWQLHAIQGW-GOSISDBHSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547701843 1072330601 /nfs/dbraw/zinc/33/06/01/1072330601.db2.gz MDWGPWQLHAIQGW-SFHVURJKSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547702244 1072330580 /nfs/dbraw/zinc/33/05/80/1072330580.db2.gz NWHKXGXSXXCGAK-KRWDZBQOSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001547702245 1072330452 /nfs/dbraw/zinc/33/04/52/1072330452.db2.gz NWHKXGXSXXCGAK-QGZVFWFLSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547702297 1072330153 /nfs/dbraw/zinc/33/01/53/1072330153.db2.gz OKJYSMSXZPZNEZ-DLBZAZTESA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547702301 1072330627 /nfs/dbraw/zinc/33/06/27/1072330627.db2.gz OKJYSMSXZPZNEZ-IAGOWNOFSA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547702303 1072330131 /nfs/dbraw/zinc/33/01/31/1072330131.db2.gz OKJYSMSXZPZNEZ-IRXDYDNUSA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547702305 1072330538 /nfs/dbraw/zinc/33/05/38/1072330538.db2.gz OKJYSMSXZPZNEZ-SJORKVTESA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001547702355 1072330233 /nfs/dbraw/zinc/33/02/33/1072330233.db2.gz ZOMIKPBRACRQAQ-FQEVSTJZSA-N 0 3 446.644 0.747 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001547702358 1072330279 /nfs/dbraw/zinc/33/02/79/1072330279.db2.gz ZOMIKPBRACRQAQ-HXUWFJFHSA-N 0 3 446.644 0.747 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547702790 1072330669 /nfs/dbraw/zinc/33/06/69/1072330669.db2.gz SDLVARSYXGBKKU-HKUYNNGSSA-N 0 3 441.584 0.866 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547702791 1072330417 /nfs/dbraw/zinc/33/04/17/1072330417.db2.gz SDLVARSYXGBKKU-IEBWSBKVSA-N 0 3 441.584 0.866 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547702792 1072330188 /nfs/dbraw/zinc/33/01/88/1072330188.db2.gz SDLVARSYXGBKKU-MJGOQNOKSA-N 0 3 441.584 0.866 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547702793 1072330562 /nfs/dbraw/zinc/33/05/62/1072330562.db2.gz SDLVARSYXGBKKU-PKOBYXMFSA-N 0 3 441.584 0.866 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547703068 1072330516 /nfs/dbraw/zinc/33/05/16/1072330516.db2.gz XSINXTYZOSWLJN-FGTMMUONSA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547703069 1072330387 /nfs/dbraw/zinc/33/03/87/1072330387.db2.gz XSINXTYZOSWLJN-KURKYZTESA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001547703070 1072330326 /nfs/dbraw/zinc/33/03/26/1072330326.db2.gz XSINXTYZOSWLJN-KZNAEPCWSA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001547703071 1072331359 /nfs/dbraw/zinc/33/13/59/1072331359.db2.gz XSINXTYZOSWLJN-SQNIBIBYSA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547703264 1072331014 /nfs/dbraw/zinc/33/10/14/1072331014.db2.gz BWEVYCIMVSWWQQ-IBGZPJMESA-N 0 3 435.617 0.798 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547703265 1072331345 /nfs/dbraw/zinc/33/13/45/1072331345.db2.gz BWEVYCIMVSWWQQ-LJQANCHMSA-N 0 3 435.617 0.798 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703786 1072331153 /nfs/dbraw/zinc/33/11/53/1072331153.db2.gz JNYLYYKVJDTUOV-HKUYNNGSSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703787 1072331412 /nfs/dbraw/zinc/33/14/12/1072331412.db2.gz JNYLYYKVJDTUOV-IEBWSBKVSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703788 1072331127 /nfs/dbraw/zinc/33/11/27/1072331127.db2.gz JNYLYYKVJDTUOV-MJGOQNOKSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001547703789 1072331270 /nfs/dbraw/zinc/33/12/70/1072331270.db2.gz JNYLYYKVJDTUOV-PKOBYXMFSA-N 0 3 433.601 0.913 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCn2cccn2)CC1 ZINC001547703884 1072331227 /nfs/dbraw/zinc/33/12/27/1072331227.db2.gz CGUOCHPBAHUEOA-IBGZPJMESA-N 0 3 443.600 0.759 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCn2cccn2)CC1 ZINC001547703886 1072331292 /nfs/dbraw/zinc/33/12/92/1072331292.db2.gz CGUOCHPBAHUEOA-LJQANCHMSA-N 0 3 443.600 0.759 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547703889 1072331195 /nfs/dbraw/zinc/33/11/95/1072331195.db2.gz KMAGOMGGTKATJR-GOSISDBHSA-N 0 3 426.569 0.568 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547703890 1072331175 /nfs/dbraw/zinc/33/11/75/1072331175.db2.gz KMAGOMGGTKATJR-SFHVURJKSA-N 0 3 426.569 0.568 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547703960 1072331217 /nfs/dbraw/zinc/33/12/17/1072331217.db2.gz DIBNKPNICXRWTH-KRWDZBQOSA-N 0 3 439.630 0.338 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547703961 1072331376 /nfs/dbraw/zinc/33/13/76/1072331376.db2.gz DIBNKPNICXRWTH-QGZVFWFLSA-N 0 3 439.630 0.338 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547704670 1072331247 /nfs/dbraw/zinc/33/12/47/1072331247.db2.gz LOMKHJZXBMTFGT-GOSISDBHSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547704671 1072331090 /nfs/dbraw/zinc/33/10/90/1072331090.db2.gz LOMKHJZXBMTFGT-SFHVURJKSA-N 0 3 443.600 0.796 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547704896 1072331314 /nfs/dbraw/zinc/33/13/14/1072331314.db2.gz SOPMUQUTBZKMAS-FDDCHVKYSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547704897 1072331050 /nfs/dbraw/zinc/33/10/50/1072331050.db2.gz SOPMUQUTBZKMAS-JPYJTQIMSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001547704898 1072331391 /nfs/dbraw/zinc/33/13/91/1072331391.db2.gz SOPMUQUTBZKMAS-MBSDFSHPSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001547704899 1072332053 /nfs/dbraw/zinc/33/20/53/1072332053.db2.gz SOPMUQUTBZKMAS-WZONZLPQSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547704904 1072331890 /nfs/dbraw/zinc/33/18/90/1072331890.db2.gz SOWPQHMPGVNYOR-INIZCTEOSA-N 0 3 446.625 0.938 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547704905 1072331677 /nfs/dbraw/zinc/33/16/77/1072331677.db2.gz SOWPQHMPGVNYOR-MRXNPFEDSA-N 0 3 446.625 0.938 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001547704960 1072331868 /nfs/dbraw/zinc/33/18/68/1072331868.db2.gz UGRBOABMWFSBPR-HOJAQTOUSA-N 0 3 449.600 0.149 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001547704961 1072331736 /nfs/dbraw/zinc/33/17/36/1072331736.db2.gz UGRBOABMWFSBPR-MISYRCLQSA-N 0 3 449.600 0.149 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001547704962 1072331830 /nfs/dbraw/zinc/33/18/30/1072331830.db2.gz UGRBOABMWFSBPR-RLLQIKCJSA-N 0 3 449.600 0.149 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001547704963 1072331986 /nfs/dbraw/zinc/33/19/86/1072331986.db2.gz UGRBOABMWFSBPR-YZGWKJHDSA-N 0 3 449.600 0.149 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001547705010 1072332178 /nfs/dbraw/zinc/33/21/78/1072332178.db2.gz NUPRGVXWKROWCG-KRWDZBQOSA-N 0 3 441.646 0.683 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001547705011 1072331761 /nfs/dbraw/zinc/33/17/61/1072331761.db2.gz NUPRGVXWKROWCG-QGZVFWFLSA-N 0 3 441.646 0.683 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705300 1072332137 /nfs/dbraw/zinc/33/21/37/1072332137.db2.gz WMLZLCKOFBCPAO-MOPGFXCFSA-N 0 3 449.600 0.103 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705301 1072331810 /nfs/dbraw/zinc/33/18/10/1072331810.db2.gz WMLZLCKOFBCPAO-OALUTQOASA-N 0 3 449.600 0.103 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705302 1072331639 /nfs/dbraw/zinc/33/16/39/1072331639.db2.gz WMLZLCKOFBCPAO-RBUKOAKNSA-N 0 3 449.600 0.103 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547705303 1072331950 /nfs/dbraw/zinc/33/19/50/1072331950.db2.gz WMLZLCKOFBCPAO-RTBURBONSA-N 0 3 449.600 0.103 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547705368 1072331850 /nfs/dbraw/zinc/33/18/50/1072331850.db2.gz YBLSDVJJTIHUFO-FQEVSTJZSA-N 0 3 448.660 0.713 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547705370 1072332091 /nfs/dbraw/zinc/33/20/91/1072332091.db2.gz YBLSDVJJTIHUFO-HXUWFJFHSA-N 0 3 448.660 0.713 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547705373 1072331910 /nfs/dbraw/zinc/33/19/10/1072331910.db2.gz RLPRPKQEKJASCE-MSOLQXFVSA-N 0 3 447.584 0.426 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547705376 1072331784 /nfs/dbraw/zinc/33/17/84/1072331784.db2.gz RLPRPKQEKJASCE-QZTJIDSGSA-N 0 3 447.584 0.426 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547705378 1072331710 /nfs/dbraw/zinc/33/17/10/1072331710.db2.gz RLPRPKQEKJASCE-ROUUACIJSA-N 0 3 447.584 0.426 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547705379 1072331931 /nfs/dbraw/zinc/33/19/31/1072331931.db2.gz RLPRPKQEKJASCE-ZWKOTPCHSA-N 0 3 447.584 0.426 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001547705450 1072332864 /nfs/dbraw/zinc/33/28/64/1072332864.db2.gz SNTZRIXEHNYMJH-BHIYHBOVSA-N 0 3 434.585 0.617 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001547705451 1072332511 /nfs/dbraw/zinc/33/25/11/1072332511.db2.gz SNTZRIXEHNYMJH-QXAKKESOSA-N 0 3 434.585 0.617 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547705875 1072332699 /nfs/dbraw/zinc/33/26/99/1072332699.db2.gz BLEZHVJDUZBTJB-QZTJIDSGSA-N 0 3 434.589 0.617 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001547705876 1072332483 /nfs/dbraw/zinc/33/24/83/1072332483.db2.gz BLEZHVJDUZBTJB-ZWKOTPCHSA-N 0 3 434.589 0.617 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547706160 1072332843 /nfs/dbraw/zinc/33/28/43/1072332843.db2.gz ZVBWSWAEVVOMTO-MSOLQXFVSA-N 0 3 446.600 0.093 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547706161 1072332552 /nfs/dbraw/zinc/33/25/52/1072332552.db2.gz ZVBWSWAEVVOMTO-QZTJIDSGSA-N 0 3 446.600 0.093 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547706162 1072332736 /nfs/dbraw/zinc/33/27/36/1072332736.db2.gz ZVBWSWAEVVOMTO-ROUUACIJSA-N 0 3 446.600 0.093 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547706163 1072332907 /nfs/dbraw/zinc/33/29/07/1072332907.db2.gz ZVBWSWAEVVOMTO-ZWKOTPCHSA-N 0 3 446.600 0.093 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547706846 1072332971 /nfs/dbraw/zinc/33/29/71/1072332971.db2.gz QEQLBKJHRDVFKW-KSZLIROESA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547706847 1072333520 /nfs/dbraw/zinc/33/35/20/1072333520.db2.gz QEQLBKJHRDVFKW-KURKYZTESA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547706848 1072333349 /nfs/dbraw/zinc/33/33/49/1072333349.db2.gz QEQLBKJHRDVFKW-KZNAEPCWSA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547706849 1072333487 /nfs/dbraw/zinc/33/34/87/1072333487.db2.gz QEQLBKJHRDVFKW-RCCFBDPRSA-N 0 3 435.573 0.107 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)C2)CC1 ZINC001547722162 1072336582 /nfs/dbraw/zinc/33/65/82/1072336582.db2.gz LHNVZUVPJBLIPI-GOSISDBHSA-N 0 3 433.601 0.651 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(=O)N3CCOCC3)C2)CC1 ZINC001547722163 1072336853 /nfs/dbraw/zinc/33/68/53/1072336853.db2.gz LHNVZUVPJBLIPI-SFHVURJKSA-N 0 3 433.601 0.651 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C4CCC4)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547722774 1072336452 /nfs/dbraw/zinc/33/64/52/1072336452.db2.gz ANCVAMKRFCULDX-GOSISDBHSA-N 0 3 439.630 0.701 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C4CCC4)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547722776 1072337563 /nfs/dbraw/zinc/33/75/63/1072337563.db2.gz ANCVAMKRFCULDX-SFHVURJKSA-N 0 3 439.630 0.701 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547722948 1072337491 /nfs/dbraw/zinc/33/74/91/1072337491.db2.gz AFCRGTXXUYSJRH-GOSISDBHSA-N 0 3 439.630 0.386 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(CC4CC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547722983 1072337526 /nfs/dbraw/zinc/33/75/26/1072337526.db2.gz AFCRGTXXUYSJRH-SFHVURJKSA-N 0 3 439.630 0.386 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C4CC4)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001547723374 1072337594 /nfs/dbraw/zinc/33/75/94/1072337594.db2.gz GZOFFTDQGBPQKA-GOSISDBHSA-N 0 3 439.630 0.701 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C4CC4)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001547723375 1072337412 /nfs/dbraw/zinc/33/74/12/1072337412.db2.gz GZOFFTDQGBPQKA-SFHVURJKSA-N 0 3 439.630 0.701 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCC(=O)N(C)C)C2)CC1 ZINC001547723379 1072337624 /nfs/dbraw/zinc/33/76/24/1072337624.db2.gz HGKOAQPMAFPVCB-KRWDZBQOSA-N 0 3 427.557 0.430 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCC(=O)N(C)C)C2)CC1 ZINC001547723381 1072337251 /nfs/dbraw/zinc/33/72/51/1072337251.db2.gz HGKOAQPMAFPVCB-QGZVFWFLSA-N 0 3 427.557 0.430 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)CC1 ZINC001547724518 1072337685 /nfs/dbraw/zinc/33/76/85/1072337685.db2.gz QRFBFYFXJBSLSR-IBGZPJMESA-N 0 3 426.569 0.568 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)CC1 ZINC001547724519 1072337315 /nfs/dbraw/zinc/33/73/15/1072337315.db2.gz QRFBFYFXJBSLSR-LJQANCHMSA-N 0 3 426.569 0.568 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001547724559 1072338195 /nfs/dbraw/zinc/33/81/95/1072338195.db2.gz QWPNCJIMYQOSQQ-KRWDZBQOSA-N 0 3 427.557 0.430 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001547724560 1072338343 /nfs/dbraw/zinc/33/83/43/1072338343.db2.gz QWPNCJIMYQOSQQ-QGZVFWFLSA-N 0 3 427.557 0.430 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCCn3cc(CO)nn3)C2)CC1 ZINC001547724764 1072338371 /nfs/dbraw/zinc/33/83/71/1072338371.db2.gz RUNCNQKFIVCFBO-FQEVSTJZSA-N 0 3 445.616 0.867 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCCn3cc(CO)nn3)C2)CC1 ZINC001547724765 1072338214 /nfs/dbraw/zinc/33/82/14/1072338214.db2.gz RUNCNQKFIVCFBO-HXUWFJFHSA-N 0 3 445.616 0.867 20 0 ICADHN CCN(CCCn1c(C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1)S(C)(=O)=O ZINC001547724867 1072338182 /nfs/dbraw/zinc/33/81/82/1072338182.db2.gz LDSNQHYGSAFQHD-GOSISDBHSA-N 0 3 427.619 0.474 20 0 ICADHN CCN(CCCn1c(C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1)S(C)(=O)=O ZINC001547724870 1072338134 /nfs/dbraw/zinc/33/81/34/1072338134.db2.gz LDSNQHYGSAFQHD-SFHVURJKSA-N 0 3 427.619 0.474 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001547725738 1072338315 /nfs/dbraw/zinc/33/83/15/1072338315.db2.gz ZHYBLRHVRPYEQN-GOSISDBHSA-N 0 3 439.630 0.700 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C4CC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001547725740 1072338912 /nfs/dbraw/zinc/33/89/12/1072338912.db2.gz ZHYBLRHVRPYEQN-SFHVURJKSA-N 0 3 439.630 0.700 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001547726163 1072339061 /nfs/dbraw/zinc/33/90/61/1072339061.db2.gz LUCSRROIEQZREM-GOSISDBHSA-N 0 3 448.616 0.033 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001547726164 1072339045 /nfs/dbraw/zinc/33/90/45/1072339045.db2.gz LUCSRROIEQZREM-SFHVURJKSA-N 0 3 448.616 0.033 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001547726169 1072339081 /nfs/dbraw/zinc/33/90/81/1072339081.db2.gz LXYRHFRCVUUBFK-KRWDZBQOSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001547726170 1072339097 /nfs/dbraw/zinc/33/90/97/1072339097.db2.gz LXYRHFRCVUUBFK-QGZVFWFLSA-N 0 3 441.646 0.720 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547726362 1072338745 /nfs/dbraw/zinc/33/87/45/1072338745.db2.gz NROPAYMRYFTFBN-GOSISDBHSA-N 0 3 448.616 0.358 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547726364 1072338958 /nfs/dbraw/zinc/33/89/58/1072338958.db2.gz NROPAYMRYFTFBN-SFHVURJKSA-N 0 3 448.616 0.358 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547726745 1072338834 /nfs/dbraw/zinc/33/88/34/1072338834.db2.gz RLAWWTFNRQJPIY-KURKYZTESA-N 0 3 435.573 0.251 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547726746 1072338696 /nfs/dbraw/zinc/33/86/96/1072338696.db2.gz RLAWWTFNRQJPIY-OKZBNKHCSA-N 0 3 435.573 0.251 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001547728075 1072338936 /nfs/dbraw/zinc/33/89/36/1072338936.db2.gz MIEQOJXUOMPOBS-KRWDZBQOSA-N 0 3 434.614 0.521 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001547728079 1072338775 /nfs/dbraw/zinc/33/87/75/1072338775.db2.gz MIEQOJXUOMPOBS-QGZVFWFLSA-N 0 3 434.614 0.521 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547728304 1072339442 /nfs/dbraw/zinc/33/94/42/1072339442.db2.gz AHRLHPRKZBMESA-BBWFWOEESA-N 0 3 434.589 0.203 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547728307 1072339538 /nfs/dbraw/zinc/33/95/38/1072339538.db2.gz AHRLHPRKZBMESA-GVDBMIGSSA-N 0 3 434.589 0.203 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547728310 1072339498 /nfs/dbraw/zinc/33/94/98/1072339498.db2.gz AHRLHPRKZBMESA-ULQDDVLXSA-N 0 3 434.589 0.203 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547728312 1072339739 /nfs/dbraw/zinc/33/97/39/1072339739.db2.gz AHRLHPRKZBMESA-YESZJQIVSA-N 0 3 434.589 0.203 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728673 1072339718 /nfs/dbraw/zinc/33/97/18/1072339718.db2.gz CPUFVWMZTYLCOG-MOPGFXCFSA-N 0 3 433.601 0.724 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728676 1072339396 /nfs/dbraw/zinc/33/93/96/1072339396.db2.gz CPUFVWMZTYLCOG-OALUTQOASA-N 0 3 433.601 0.724 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728678 1072339617 /nfs/dbraw/zinc/33/96/17/1072339617.db2.gz CPUFVWMZTYLCOG-RBUKOAKNSA-N 0 3 433.601 0.724 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547728680 1072339638 /nfs/dbraw/zinc/33/96/38/1072339638.db2.gz CPUFVWMZTYLCOG-RTBURBONSA-N 0 3 433.601 0.724 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728985 1072339679 /nfs/dbraw/zinc/33/96/79/1072339679.db2.gz FFPAKTOGUHWSRI-GOSISDBHSA-N 0 3 426.569 0.474 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728987 1072339573 /nfs/dbraw/zinc/33/95/73/1072339573.db2.gz FFPAKTOGUHWSRI-SFHVURJKSA-N 0 3 426.569 0.474 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547729812 1072339788 /nfs/dbraw/zinc/33/97/88/1072339788.db2.gz BKULBPSRRRHLTG-IBGZPJMESA-N 0 3 447.628 0.799 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547729815 1072339764 /nfs/dbraw/zinc/33/97/64/1072339764.db2.gz BKULBPSRRRHLTG-LJQANCHMSA-N 0 3 447.628 0.799 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547730638 1072340445 /nfs/dbraw/zinc/34/04/45/1072340445.db2.gz NYZSXXAJGKMDAC-GOSISDBHSA-N 0 3 433.601 0.724 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547730640 1072340288 /nfs/dbraw/zinc/34/02/88/1072340288.db2.gz NYZSXXAJGKMDAC-SFHVURJKSA-N 0 3 433.601 0.724 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547730960 1072340077 /nfs/dbraw/zinc/34/00/77/1072340077.db2.gz POUHWPLHDYEROH-FHWLQOOXSA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547730964 1072340232 /nfs/dbraw/zinc/34/02/32/1072340232.db2.gz POUHWPLHDYEROH-GBESFXJTSA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547730966 1072340376 /nfs/dbraw/zinc/34/03/76/1072340376.db2.gz POUHWPLHDYEROH-IPMKNSEASA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547730968 1072340538 /nfs/dbraw/zinc/34/05/38/1072340538.db2.gz POUHWPLHDYEROH-OTWHNJEPSA-N 0 3 433.601 0.723 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001547731552 1072340409 /nfs/dbraw/zinc/34/04/09/1072340409.db2.gz LUVRTYWGWUCJNQ-AQNXPRMDSA-N 0 3 447.628 0.881 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001547731554 1072340040 /nfs/dbraw/zinc/34/00/40/1072340040.db2.gz LUVRTYWGWUCJNQ-ZCNNSNEGSA-N 0 3 447.628 0.881 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731775 1072340882 /nfs/dbraw/zinc/34/08/82/1072340882.db2.gz MYEXCCRLKQWNAQ-GOSISDBHSA-N 0 3 446.600 0.000 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001547731778 1072340865 /nfs/dbraw/zinc/34/08/65/1072340865.db2.gz MYEXCCRLKQWNAQ-SFHVURJKSA-N 0 3 446.600 0.000 20 0 ICADHN CCN1CCN(CCCn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001547733322 1072340939 /nfs/dbraw/zinc/34/09/39/1072340939.db2.gz KEOBZSBGDKJGLJ-UHFFFAOYSA-N 0 3 441.584 0.435 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001547733432 1072341039 /nfs/dbraw/zinc/34/10/39/1072341039.db2.gz ATGIXRCLSCDMQP-IBGZPJMESA-N 0 3 448.616 0.549 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001547733433 1072340850 /nfs/dbraw/zinc/34/08/50/1072340850.db2.gz ATGIXRCLSCDMQP-LJQANCHMSA-N 0 3 448.616 0.549 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547733650 1072340920 /nfs/dbraw/zinc/34/09/20/1072340920.db2.gz FWYNRSBTRVRDLK-GOSISDBHSA-N 0 3 446.600 0.209 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547733652 1072341062 /nfs/dbraw/zinc/34/10/62/1072341062.db2.gz FWYNRSBTRVRDLK-SFHVURJKSA-N 0 3 446.600 0.209 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCn2cccn2)CC1 ZINC001547733715 1072340985 /nfs/dbraw/zinc/34/09/85/1072340985.db2.gz HEAQHHHKVFTBLU-UHFFFAOYSA-N 0 3 443.600 0.875 20 0 ICADHN CCN1CCN(CCCn2c(C)nnc2N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC001547733755 1072341487 /nfs/dbraw/zinc/34/14/87/1072341487.db2.gz TZFRPOYOGULOBO-UHFFFAOYSA-N 0 3 446.644 0.749 20 0 ICADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001547733816 1072341688 /nfs/dbraw/zinc/34/16/88/1072341688.db2.gz UYWIGWSZCXPSPO-IKGGRYGDSA-N 0 3 445.609 0.710 20 0 ICADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001547733817 1072341784 /nfs/dbraw/zinc/34/17/84/1072341784.db2.gz UYWIGWSZCXPSPO-ZACQAIPSSA-N 0 3 445.609 0.710 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547734095 1072341391 /nfs/dbraw/zinc/34/13/91/1072341391.db2.gz MJCYWABHPKXKBH-UHFFFAOYSA-N 0 3 446.600 0.255 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001547734102 1072341584 /nfs/dbraw/zinc/34/15/84/1072341584.db2.gz MRIPOYWXIVJEHE-UHFFFAOYSA-N 0 3 443.600 0.912 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547734117 1072341758 /nfs/dbraw/zinc/34/17/58/1072341758.db2.gz NGZGBMDNPFMGTF-HDICACEKSA-N 0 3 437.589 0.294 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547734245 1072341807 /nfs/dbraw/zinc/34/18/07/1072341807.db2.gz RSBURYTVFGULOC-KRWDZBQOSA-N 0 3 434.589 0.111 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547734247 1072341420 /nfs/dbraw/zinc/34/14/20/1072341420.db2.gz RSBURYTVFGULOC-QGZVFWFLSA-N 0 3 434.589 0.111 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547734351 1072341825 /nfs/dbraw/zinc/34/18/25/1072341825.db2.gz CPNAIEWQRYSBJS-MSOLQXFVSA-N 0 3 446.600 0.349 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547734352 1072341741 /nfs/dbraw/zinc/34/17/41/1072341741.db2.gz CPNAIEWQRYSBJS-QZTJIDSGSA-N 0 3 446.600 0.349 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547734353 1072341372 /nfs/dbraw/zinc/34/13/72/1072341372.db2.gz CPNAIEWQRYSBJS-ROUUACIJSA-N 0 3 446.600 0.349 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547734354 1072341525 /nfs/dbraw/zinc/34/15/25/1072341525.db2.gz CPNAIEWQRYSBJS-ZWKOTPCHSA-N 0 3 446.600 0.349 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001547734452 1072341335 /nfs/dbraw/zinc/34/13/35/1072341335.db2.gz UMAWEIDGPSOXHB-UHFFFAOYSA-N 0 3 434.589 0.146 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)CC2)CC1 ZINC001547734696 1072342380 /nfs/dbraw/zinc/34/23/80/1072342380.db2.gz BPGGTCFMASYWFX-ICSRJNTNSA-N 0 3 449.600 0.356 20 0 ICADHN CCN1CCN(CCCn2c(-c3cccnc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001547734703 1072341611 /nfs/dbraw/zinc/34/16/11/1072341611.db2.gz LANVKYUTONYZPP-UHFFFAOYSA-N 0 3 435.598 0.849 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001547734872 1072342067 /nfs/dbraw/zinc/34/20/67/1072342067.db2.gz YUMMQATWECNIRK-GOSISDBHSA-N 0 3 447.584 0.541 20 0 ICADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001547734873 1072342326 /nfs/dbraw/zinc/34/23/26/1072342326.db2.gz YUMMQATWECNIRK-SFHVURJKSA-N 0 3 447.584 0.541 20 0 ICADHN CCN1CCN(CCCn2c(CC3CC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001547735074 1072342448 /nfs/dbraw/zinc/34/24/48/1072342448.db2.gz HBARYMOQXYLWMI-UHFFFAOYSA-N 0 3 433.601 0.553 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547735135 1072342303 /nfs/dbraw/zinc/34/23/03/1072342303.db2.gz AKPUPFPJRAAFHF-MOPGFXCFSA-N 0 3 433.601 0.901 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547735137 1072342243 /nfs/dbraw/zinc/34/22/43/1072342243.db2.gz AKPUPFPJRAAFHF-OALUTQOASA-N 0 3 433.601 0.901 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001547735139 1072342219 /nfs/dbraw/zinc/34/22/19/1072342219.db2.gz AKPUPFPJRAAFHF-RBUKOAKNSA-N 0 3 433.601 0.901 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001547735141 1072342428 /nfs/dbraw/zinc/34/24/28/1072342428.db2.gz AKPUPFPJRAAFHF-RTBURBONSA-N 0 3 433.601 0.901 20 0 ICADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547735330 1072342095 /nfs/dbraw/zinc/34/20/95/1072342095.db2.gz JNAWKHFZWVZVAE-GOSISDBHSA-N 0 3 446.600 0.095 20 0 ICADHN CCN1CCN(CCCn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001547735334 1072342263 /nfs/dbraw/zinc/34/22/63/1072342263.db2.gz PYJCBXQUKGQINU-IBGZPJMESA-N 0 3 447.609 0.991 20 0 ICADHN CCN1CCN(CCCn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001547735335 1072342361 /nfs/dbraw/zinc/34/23/61/1072342361.db2.gz PYJCBXQUKGQINU-LJQANCHMSA-N 0 3 447.609 0.991 20 0 ICADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547735338 1072342408 /nfs/dbraw/zinc/34/24/08/1072342408.db2.gz JNAWKHFZWVZVAE-SFHVURJKSA-N 0 3 446.600 0.095 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547735386 1072342254 /nfs/dbraw/zinc/34/22/54/1072342254.db2.gz QMABLQNVWXQDHK-MSOLQXFVSA-N 0 3 446.600 0.219 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547735388 1072342181 /nfs/dbraw/zinc/34/21/81/1072342181.db2.gz QMABLQNVWXQDHK-QZTJIDSGSA-N 0 3 446.600 0.219 20 0 ICADHN CCN1CCN(CCCn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001547735389 1072342288 /nfs/dbraw/zinc/34/22/88/1072342288.db2.gz DCFRBVAZLDOBMQ-IBGZPJMESA-N 0 3 440.596 0.958 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547735390 1072342877 /nfs/dbraw/zinc/34/28/77/1072342877.db2.gz QMABLQNVWXQDHK-ROUUACIJSA-N 0 3 446.600 0.219 20 0 ICADHN CCN1CCN(CCCn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001547735391 1072342132 /nfs/dbraw/zinc/34/21/32/1072342132.db2.gz DCFRBVAZLDOBMQ-LJQANCHMSA-N 0 3 440.596 0.958 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547735393 1072343063 /nfs/dbraw/zinc/34/30/63/1072343063.db2.gz QMABLQNVWXQDHK-ZWKOTPCHSA-N 0 3 446.600 0.219 20 0 ICADHN CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547735538 1072342779 /nfs/dbraw/zinc/34/27/79/1072342779.db2.gz GDNILMTYDAUGNE-UHFFFAOYSA-N 0 3 447.609 0.526 20 0 ICADHN CCN1CCN(CCCn2c(CC3CC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547736093 1072342983 /nfs/dbraw/zinc/34/29/83/1072342983.db2.gz MDDNWGVTOOQBGH-UHFFFAOYSA-N 0 3 433.601 0.553 20 0 ICADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001547736358 1072342901 /nfs/dbraw/zinc/34/29/01/1072342901.db2.gz RVQJAAIGWYEQTH-KDURUIRLSA-N 0 3 449.600 0.278 20 0 ICADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547736368 1072342852 /nfs/dbraw/zinc/34/28/52/1072342852.db2.gz RZRXWJJBEJNSEL-UHFFFAOYSA-N 0 3 446.600 0.097 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(OC)C2)CC1 ZINC001547736427 1072343037 /nfs/dbraw/zinc/34/30/37/1072343037.db2.gz PWDLUGMHMNLKLR-KRWDZBQOSA-N 0 3 440.614 0.433 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(OC)C2)CC1 ZINC001547736428 1072342701 /nfs/dbraw/zinc/34/27/01/1072342701.db2.gz PWDLUGMHMNLKLR-QGZVFWFLSA-N 0 3 440.614 0.433 20 0 ICADHN CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736605 1072343120 /nfs/dbraw/zinc/34/31/20/1072343120.db2.gz VEZDZOPRXUJEFX-IBGZPJMESA-N 0 3 443.600 0.479 20 0 ICADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001547736608 1072343096 /nfs/dbraw/zinc/34/30/96/1072343096.db2.gz SPDJRERBRFTQHQ-UHFFFAOYSA-N 0 3 440.596 0.960 20 0 ICADHN CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736612 1072342921 /nfs/dbraw/zinc/34/29/21/1072342921.db2.gz VEZDZOPRXUJEFX-LJQANCHMSA-N 0 3 443.600 0.479 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547736636 1072342839 /nfs/dbraw/zinc/34/28/39/1072342839.db2.gz SYGLTPOCVVNCPS-MOPGFXCFSA-N 0 3 433.601 0.772 20 0 ICADHN CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547736646 1072343477 /nfs/dbraw/zinc/34/34/77/1072343477.db2.gz SYGLTPOCVVNCPS-OALUTQOASA-N 0 3 433.601 0.772 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001547736648 1072343401 /nfs/dbraw/zinc/34/34/01/1072343401.db2.gz SYGLTPOCVVNCPS-RBUKOAKNSA-N 0 3 433.601 0.772 20 0 ICADHN CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001547736649 1072343541 /nfs/dbraw/zinc/34/35/41/1072343541.db2.gz SYGLTPOCVVNCPS-RTBURBONSA-N 0 3 433.601 0.772 20 0 ICADHN CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736786 1072343609 /nfs/dbraw/zinc/34/36/09/1072343609.db2.gz VWMJMEAJPOEOBO-IBGZPJMESA-N 0 3 426.569 0.603 20 0 ICADHN CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736787 1072343357 /nfs/dbraw/zinc/34/33/57/1072343357.db2.gz VWMJMEAJPOEOBO-LJQANCHMSA-N 0 3 426.569 0.603 20 0 ICADHN CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC001547756351 1072347099 /nfs/dbraw/zinc/34/70/99/1072347099.db2.gz NKWCPGFRRWZLQD-UHFFFAOYSA-N 0 3 431.585 0.891 20 0 ICADHN CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CC1 ZINC001547763714 1072348537 /nfs/dbraw/zinc/34/85/37/1072348537.db2.gz RKAPKGYJHHHDHP-GOSISDBHSA-N 0 3 446.600 0.257 20 0 ICADHN CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CC1 ZINC001547763715 1072348717 /nfs/dbraw/zinc/34/87/17/1072348717.db2.gz RKAPKGYJHHHDHP-SFHVURJKSA-N 0 3 446.600 0.257 20 0 ICADHN CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001547763857 1072349200 /nfs/dbraw/zinc/34/92/00/1072349200.db2.gz WOWWFHGRIQINSR-FQEVSTJZSA-N 0 3 448.660 0.933 20 0 ICADHN CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 ZINC001547763858 1072349047 /nfs/dbraw/zinc/34/90/47/1072349047.db2.gz WOWWFHGRIQINSR-HXUWFJFHSA-N 0 3 448.660 0.933 20 0 ICADHN CCNC(=O)CN1CCN(c2nnc(Cc3cccnc3)n2CCN2CC=CCC2)CC1 ZINC001547768889 1072353892 /nfs/dbraw/zinc/35/38/92/1072353892.db2.gz OQMWTIGZURLQNT-UHFFFAOYSA-N 0 3 438.580 0.784 20 0 ICADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)C1 ZINC001547780894 1072359782 /nfs/dbraw/zinc/35/97/82/1072359782.db2.gz WMYMLWNWEGNXDE-INIZCTEOSA-N 0 3 441.602 0.420 20 0 ICADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)C1 ZINC001547780895 1072360389 /nfs/dbraw/zinc/36/03/89/1072360389.db2.gz WMYMLWNWEGNXDE-MRXNPFEDSA-N 0 3 441.602 0.420 20 0 ICADHN CCO[C@@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2CCN2CCCCC2)CCOC1 ZINC001547911459 1072384321 /nfs/dbraw/zinc/38/43/21/1072384321.db2.gz BINKIRHUUGJMFB-NRFANRHFSA-N 0 3 435.573 0.878 20 0 ICADHN CCO[C@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2CCN2CCCCC2)CCOC1 ZINC001547911460 1072384435 /nfs/dbraw/zinc/38/44/35/1072384435.db2.gz BINKIRHUUGJMFB-OAQYLSRUSA-N 0 3 435.573 0.878 20 0 ICADHN CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCN(CC)C(C)C)CCOC1 ZINC001547924404 1072393512 /nfs/dbraw/zinc/39/35/12/1072393512.db2.gz TYKLPJGAXPPRFK-IBGZPJMESA-N 0 3 429.587 0.895 20 0 ICADHN CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2CCN(CC)C(C)C)CCOC1 ZINC001547924407 1072393418 /nfs/dbraw/zinc/39/34/18/1072393418.db2.gz TYKLPJGAXPPRFK-LJQANCHMSA-N 0 3 429.587 0.895 20 0 ICADHN CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)CN2CCCC2)CCOC1 ZINC001547924717 1072393441 /nfs/dbraw/zinc/39/34/41/1072393441.db2.gz WCHRUCPONSBLIF-FXAWDEMLSA-N 0 3 441.598 0.897 20 0 ICADHN CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)CN2CCCC2)CCOC1 ZINC001547924719 1072393480 /nfs/dbraw/zinc/39/34/80/1072393480.db2.gz WCHRUCPONSBLIF-PXNSSMCTSA-N 0 3 441.598 0.897 20 0 ICADHN CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)CN2CCCC2)CCOC1 ZINC001547924721 1072393460 /nfs/dbraw/zinc/39/34/60/1072393460.db2.gz WCHRUCPONSBLIF-XLIONFOSSA-N 0 3 441.598 0.897 20 0 ICADHN CCO[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)CN2CCCC2)CCOC1 ZINC001547924723 1072393658 /nfs/dbraw/zinc/39/36/58/1072393658.db2.gz WCHRUCPONSBLIF-YLJYHZDGSA-N 0 3 441.598 0.897 20 0 ICADHN CCO[C@@]1(c2nnc(N3CCS(=O)CC3)n2CCCN2CCC(O)CC2)CCOC1 ZINC001547925997 1072394507 /nfs/dbraw/zinc/39/45/07/1072394507.db2.gz UZCNATUQEUUIMW-FQEVSTJZSA-N 0 3 441.598 0.346 20 0 ICADHN CCO[C@]1(c2nnc(N3CCS(=O)CC3)n2CCCN2CCC(O)CC2)CCOC1 ZINC001547925998 1072394648 /nfs/dbraw/zinc/39/46/48/1072394648.db2.gz UZCNATUQEUUIMW-HXUWFJFHSA-N 0 3 441.598 0.346 20 0 ICADHN CCOCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001548094863 1072404082 /nfs/dbraw/zinc/40/40/82/1072404082.db2.gz XCDVSYBYAVHJNQ-KRWDZBQOSA-N 0 3 442.630 0.854 20 0 ICADHN CCOCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001548094864 1072404020 /nfs/dbraw/zinc/40/40/20/1072404020.db2.gz XCDVSYBYAVHJNQ-QGZVFWFLSA-N 0 3 442.630 0.854 20 0 ICADHN CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)NC(C)C ZINC001548098622 1072404765 /nfs/dbraw/zinc/40/47/65/1072404765.db2.gz CCVQNTXSJYXVIH-HKUYNNGSSA-N 0 3 449.600 0.718 20 0 ICADHN CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098623 1072404807 /nfs/dbraw/zinc/40/48/07/1072404807.db2.gz CCVQNTXSJYXVIH-IEBWSBKVSA-N 0 3 449.600 0.718 20 0 ICADHN CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098624 1072404836 /nfs/dbraw/zinc/40/48/36/1072404836.db2.gz CCVQNTXSJYXVIH-MJGOQNOKSA-N 0 3 449.600 0.718 20 0 ICADHN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)NC(C)C ZINC001548098625 1072404703 /nfs/dbraw/zinc/40/47/03/1072404703.db2.gz CCVQNTXSJYXVIH-PKOBYXMFSA-N 0 3 449.600 0.718 20 0 ICADHN CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098859 1072404650 /nfs/dbraw/zinc/40/46/50/1072404650.db2.gz GGWOCWXGQSOMAI-APWZRJJASA-N 0 3 445.572 0.370 20 0 ICADHN CCOCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cnnn1C ZINC001548098860 1072404783 /nfs/dbraw/zinc/40/47/83/1072404783.db2.gz GGWOCWXGQSOMAI-LPHOPBHVSA-N 0 3 445.572 0.370 20 0 ICADHN CCOCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098861 1072404634 /nfs/dbraw/zinc/40/46/34/1072404634.db2.gz GGWOCWXGQSOMAI-QFBILLFUSA-N 0 3 445.572 0.370 20 0 ICADHN CCOCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cnnn1C ZINC001548098862 1072404721 /nfs/dbraw/zinc/40/47/21/1072404721.db2.gz GGWOCWXGQSOMAI-VQIMIIECSA-N 0 3 445.572 0.370 20 0 ICADHN CCOCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCN1CCOC[C@@H]1C ZINC001548130971 1072409896 /nfs/dbraw/zinc/40/98/96/1072409896.db2.gz MSLJLHLGQYBKDL-PMACEKPBSA-N 0 3 435.617 0.752 20 0 ICADHN CCOCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCN1CCOC[C@H]1C ZINC001548130972 1072409834 /nfs/dbraw/zinc/40/98/34/1072409834.db2.gz MSLJLHLGQYBKDL-UXHICEINSA-N 0 3 435.617 0.752 20 0 ICADHN CCOCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCN1CCOC[C@@H]1C ZINC001548131074 1072409947 /nfs/dbraw/zinc/40/99/47/1072409947.db2.gz MSLJLHLGQYBKDL-VQTJNVASSA-N 0 3 435.617 0.752 20 0 ICADHN CCOCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCN1CCOC[C@H]1C ZINC001548131077 1072409925 /nfs/dbraw/zinc/40/99/25/1072409925.db2.gz MSLJLHLGQYBKDL-WOJBJXKFSA-N 0 3 435.617 0.752 20 0 ICADHN CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCCN1CCN(CC)CC1 ZINC001548131166 1072409881 /nfs/dbraw/zinc/40/98/81/1072409881.db2.gz NUUQRLLKTRWNED-UHFFFAOYSA-N 0 3 448.616 0.836 20 0 ICADHN CCOCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCCN1CCOCC1 ZINC001548131266 1072409816 /nfs/dbraw/zinc/40/98/16/1072409816.db2.gz QBQZIXHKFVJWHK-FQEVSTJZSA-N 0 3 435.617 0.753 20 0 ICADHN CCOCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCCN1CCOCC1 ZINC001548131267 1072409911 /nfs/dbraw/zinc/40/99/11/1072409911.db2.gz QBQZIXHKFVJWHK-HXUWFJFHSA-N 0 3 435.617 0.753 20 0 ICADHN CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCS(=O)(=O)CC ZINC001548131478 1072410224 /nfs/dbraw/zinc/41/02/24/1072410224.db2.gz RJRQAHLDGKPCAG-GOSISDBHSA-N 0 3 442.630 0.854 20 0 ICADHN CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCS(=O)(=O)CC ZINC001548131480 1072410423 /nfs/dbraw/zinc/41/04/23/1072410423.db2.gz RJRQAHLDGKPCAG-SFHVURJKSA-N 0 3 442.630 0.854 20 0 ICADHN CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001548134676 1072410990 /nfs/dbraw/zinc/41/09/90/1072410990.db2.gz OAZFEYPVIMMGLI-KRWDZBQOSA-N 0 3 435.573 0.919 20 0 ICADHN CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001548134677 1072411045 /nfs/dbraw/zinc/41/10/45/1072411045.db2.gz OAZFEYPVIMMGLI-QGZVFWFLSA-N 0 3 435.573 0.919 20 0 ICADHN CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001548135380 1072411566 /nfs/dbraw/zinc/41/15/66/1072411566.db2.gz WOWDJJRMDBDCCX-UHFFFAOYSA-N 0 3 442.630 0.854 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cnn(CC)c1 ZINC001548165246 1072415966 /nfs/dbraw/zinc/41/59/66/1072415966.db2.gz CNHPGFAGQMGVOW-GOSISDBHSA-N 0 3 430.557 0.822 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cnn(CC)c1 ZINC001548165247 1072416083 /nfs/dbraw/zinc/41/60/83/1072416083.db2.gz CNHPGFAGQMGVOW-SFHVURJKSA-N 0 3 430.557 0.822 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@]1(OC)CCOC1 ZINC001548165623 1072416041 /nfs/dbraw/zinc/41/60/41/1072416041.db2.gz LOGUOVUKUVPIOS-DYESRHJHSA-N 0 3 436.557 0.363 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1(OC)CCOC1 ZINC001548165624 1072416477 /nfs/dbraw/zinc/41/64/77/1072416477.db2.gz LOGUOVUKUVPIOS-LAUBAEHRSA-N 0 3 436.557 0.363 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001548165625 1072416624 /nfs/dbraw/zinc/41/66/24/1072416624.db2.gz LOGUOVUKUVPIOS-UTKZUKDTSA-N 0 3 436.557 0.363 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001548165626 1072416583 /nfs/dbraw/zinc/41/65/83/1072416583.db2.gz LOGUOVUKUVPIOS-UWJYYQICSA-N 0 3 436.557 0.363 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCN1CCOC[C@H]1C ZINC001548165944 1072416652 /nfs/dbraw/zinc/41/66/52/1072416652.db2.gz QHWICOCIFJAFFO-MOPGFXCFSA-N 0 3 449.600 0.278 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCN1CCOC[C@@H]1C ZINC001548165945 1072416520 /nfs/dbraw/zinc/41/65/20/1072416520.db2.gz QHWICOCIFJAFFO-OALUTQOASA-N 0 3 449.600 0.278 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCN1CCOC[C@@H]1C ZINC001548165946 1072416438 /nfs/dbraw/zinc/41/64/38/1072416438.db2.gz QHWICOCIFJAFFO-RBUKOAKNSA-N 0 3 449.600 0.278 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCN1CCOC[C@H]1C ZINC001548165947 1072416598 /nfs/dbraw/zinc/41/65/98/1072416598.db2.gz QHWICOCIFJAFFO-RTBURBONSA-N 0 3 449.600 0.278 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCN1CCOCC1 ZINC001548166173 1072416558 /nfs/dbraw/zinc/41/65/58/1072416558.db2.gz UZXNHRCYLZPENI-IBGZPJMESA-N 0 3 449.600 0.280 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCN1CCOCC1 ZINC001548166178 1072416615 /nfs/dbraw/zinc/41/66/15/1072416615.db2.gz UZXNHRCYLZPENI-LJQANCHMSA-N 0 3 449.600 0.280 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCn1ccnn1 ZINC001548166767 1072417385 /nfs/dbraw/zinc/41/73/85/1072417385.db2.gz GQWYUBUZZHDZNM-UHFFFAOYSA-N 0 3 431.545 0.241 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001548166789 1072417382 /nfs/dbraw/zinc/41/73/82/1072417382.db2.gz HHAXLCVDVXHUJU-ZWKOTPCHSA-N 0 3 436.557 0.099 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCN1CCOCC1 ZINC001548166923 1072417360 /nfs/dbraw/zinc/41/73/60/1072417360.db2.gz IXEUONBLYDWVHO-UHFFFAOYSA-N 0 3 449.600 0.281 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)C(=O)NC ZINC001548167453 1072417844 /nfs/dbraw/zinc/41/78/44/1072417844.db2.gz UFOJNNFMWXPXMX-UHFFFAOYSA-N 0 3 435.573 0.331 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001548167611 1072417826 /nfs/dbraw/zinc/41/78/26/1072417826.db2.gz XVSXAGNVTOCEFB-GOSISDBHSA-N 0 3 437.589 0.136 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001548167614 1072417918 /nfs/dbraw/zinc/41/79/18/1072417918.db2.gz XVSXAGNVTOCEFB-SFHVURJKSA-N 0 3 437.589 0.136 20 0 ICADHN CCOCc1nnc(N2CCN(C(C)=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001548169197 1072418550 /nfs/dbraw/zinc/41/85/50/1072418550.db2.gz RWXFRUNUWCNDAP-GOSISDBHSA-N 0 3 435.573 0.426 20 0 ICADHN CCOCc1nnc(N2CCN(C(C)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001548169198 1072418433 /nfs/dbraw/zinc/41/84/33/1072418433.db2.gz RWXFRUNUWCNDAP-SFHVURJKSA-N 0 3 435.573 0.426 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCCNS(C)(=O)=O ZINC001548176694 1072420741 /nfs/dbraw/zinc/42/07/41/1072420741.db2.gz REIXLNIJVZFKBZ-MRXNPFEDSA-N 0 3 444.602 0.443 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNS(C)(=O)=O ZINC001548176698 1072420810 /nfs/dbraw/zinc/42/08/10/1072420810.db2.gz RJENWEBGCJKLRA-OAHLLOKOSA-N 0 3 430.575 0.053 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCNC(=O)c1ccn[nH]1 ZINC001548176813 1072420825 /nfs/dbraw/zinc/42/08/25/1072420825.db2.gz WOQRMKGFJSAXEO-INIZCTEOSA-N 0 3 446.556 0.657 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001548183522 1072425044 /nfs/dbraw/zinc/42/50/44/1072425044.db2.gz PGWTVTPWYVMIQS-MOPGFXCFSA-N 0 3 448.616 0.644 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001548183523 1072425075 /nfs/dbraw/zinc/42/50/75/1072425075.db2.gz PGWTVTPWYVMIQS-OALUTQOASA-N 0 3 448.616 0.644 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001548183524 1072425092 /nfs/dbraw/zinc/42/50/92/1072425092.db2.gz PGWTVTPWYVMIQS-RBUKOAKNSA-N 0 3 448.616 0.644 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001548183525 1072425024 /nfs/dbraw/zinc/42/50/24/1072425024.db2.gz PGWTVTPWYVMIQS-RTBURBONSA-N 0 3 448.616 0.644 20 0 ICADHN CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001548244410 1072430599 /nfs/dbraw/zinc/43/05/99/1072430599.db2.gz MFFOGXMDVMKAAQ-KRWDZBQOSA-N 0 3 433.557 0.400 20 0 ICADHN CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001548244412 1072431365 /nfs/dbraw/zinc/43/13/65/1072431365.db2.gz MFFOGXMDVMKAAQ-QGZVFWFLSA-N 0 3 433.557 0.400 20 0 ICADHN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001548271639 1072434605 /nfs/dbraw/zinc/43/46/05/1072434605.db2.gz FUMTWYIXKZCJST-KRWDZBQOSA-N 0 3 444.602 0.426 20 0 ICADHN CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001548271648 1072434490 /nfs/dbraw/zinc/43/44/90/1072434490.db2.gz FUMTWYIXKZCJST-QGZVFWFLSA-N 0 3 444.602 0.426 20 0 ICADHN CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001548273595 1072434915 /nfs/dbraw/zinc/43/49/15/1072434915.db2.gz TZNIHSMNJJMRIO-GOSISDBHSA-N 0 3 441.598 0.765 20 0 ICADHN CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001548273596 1072435007 /nfs/dbraw/zinc/43/50/07/1072435007.db2.gz TZNIHSMNJJMRIO-SFHVURJKSA-N 0 3 441.598 0.765 20 0 ICADHN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001548273892 1072435065 /nfs/dbraw/zinc/43/50/65/1072435065.db2.gz XOWJANVMFJODFZ-BBWFWOEESA-N 0 3 444.602 0.566 20 0 ICADHN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001548273893 1072434968 /nfs/dbraw/zinc/43/49/68/1072434968.db2.gz XOWJANVMFJODFZ-IKGGRYGDSA-N 0 3 444.602 0.566 20 0 ICADHN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001548273894 1072434930 /nfs/dbraw/zinc/43/49/30/1072434930.db2.gz XOWJANVMFJODFZ-ULQDDVLXSA-N 0 3 444.602 0.566 20 0 ICADHN CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001548273895 1072435102 /nfs/dbraw/zinc/43/51/02/1072435102.db2.gz XOWJANVMFJODFZ-ZACQAIPSSA-N 0 3 444.602 0.566 20 0 ICADHN CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001548283559 1072436723 /nfs/dbraw/zinc/43/67/23/1072436723.db2.gz FDAJQILRTAFOKV-LEWJYISDSA-N 0 3 449.644 0.967 20 0 ICADHN CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001548283560 1072436880 /nfs/dbraw/zinc/43/68/80/1072436880.db2.gz FDAJQILRTAFOKV-NHCUHLMSSA-N 0 3 449.644 0.967 20 0 ICADHN CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001548283561 1072436679 /nfs/dbraw/zinc/43/66/79/1072436679.db2.gz FDAJQILRTAFOKV-RTWAWAEBSA-N 0 3 449.644 0.967 20 0 ICADHN CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001548283562 1072436803 /nfs/dbraw/zinc/43/68/03/1072436803.db2.gz FDAJQILRTAFOKV-SFTDATJTSA-N 0 3 449.644 0.967 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCCC1 ZINC001548310703 1072444401 /nfs/dbraw/zinc/44/44/01/1072444401.db2.gz QOFOFMOVKNTFPM-CVEARBPZSA-N 0 3 426.587 0.832 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCCC1 ZINC001548310704 1072444393 /nfs/dbraw/zinc/44/43/93/1072444393.db2.gz QOFOFMOVKNTFPM-HOTGVXAUSA-N 0 3 426.587 0.832 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCCC1 ZINC001548310706 1072444256 /nfs/dbraw/zinc/44/42/56/1072444256.db2.gz QOFOFMOVKNTFPM-HZPDHXFCSA-N 0 3 426.587 0.832 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCCC1 ZINC001548310708 1072444305 /nfs/dbraw/zinc/44/43/05/1072444305.db2.gz QOFOFMOVKNTFPM-JKSUJKDBSA-N 0 3 426.587 0.832 20 0 ICADHN CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001548328873 1072454232 /nfs/dbraw/zinc/45/42/32/1072454232.db2.gz VQYWVCFYVNZYHH-GOSISDBHSA-N 0 3 440.614 0.986 20 0 ICADHN CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001548328875 1072454303 /nfs/dbraw/zinc/45/43/03/1072454303.db2.gz VQYWVCFYVNZYHH-SFHVURJKSA-N 0 3 440.614 0.986 20 0 ICADHN CCS(=O)(=O)NC1CCN(c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001548332058 1072456351 /nfs/dbraw/zinc/45/63/51/1072456351.db2.gz XCIOSVVWWRVQAN-UHFFFAOYSA-N 0 3 427.619 0.521 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001552377507 1072468785 /nfs/dbraw/zinc/46/87/85/1072468785.db2.gz BTCFDJLVQNNHSV-UHFFFAOYSA-N 0 3 429.591 0.276 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001552379434 1072468790 /nfs/dbraw/zinc/46/87/90/1072468790.db2.gz GQOJUVYTTRFFML-GOSISDBHSA-N 0 3 441.646 0.946 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001552379437 1072468806 /nfs/dbraw/zinc/46/88/06/1072468806.db2.gz GQOJUVYTTRFFML-SFHVURJKSA-N 0 3 441.646 0.946 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001552382766 1072470013 /nfs/dbraw/zinc/47/00/13/1072470013.db2.gz QLPHAMAVXGIEHL-UHFFFAOYSA-N 0 3 428.603 0.889 20 0 ICADHN CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C2CCCC2)CC1 ZINC001552391271 1072470443 /nfs/dbraw/zinc/47/04/43/1072470443.db2.gz BQPNCBJDMVSPHZ-UHFFFAOYSA-N 0 3 434.570 0.739 20 0 ICADHN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)CC1 ZINC001552399062 1072473275 /nfs/dbraw/zinc/47/32/75/1072473275.db2.gz GMNLFFHXUKOONH-KRWDZBQOSA-N 0 3 428.603 0.889 20 0 ICADHN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)CC1 ZINC001552399065 1072473282 /nfs/dbraw/zinc/47/32/82/1072473282.db2.gz GMNLFFHXUKOONH-QGZVFWFLSA-N 0 3 428.603 0.889 20 0 ICADHN CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001552399809 1072473805 /nfs/dbraw/zinc/47/38/05/1072473805.db2.gz ODJSPYBAWOZKPM-KRWDZBQOSA-N 0 3 426.587 0.643 20 0 ICADHN CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001552399811 1072473863 /nfs/dbraw/zinc/47/38/63/1072473863.db2.gz ODJSPYBAWOZKPM-QGZVFWFLSA-N 0 3 426.587 0.643 20 0 ICADHN CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001552400817 1072474941 /nfs/dbraw/zinc/47/49/41/1072474941.db2.gz CZGZDVGGRBJXNU-UHFFFAOYSA-N 0 3 441.602 0.260 20 0 ICADHN CC[S@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001552428305 1072481838 /nfs/dbraw/zinc/48/18/38/1072481838.db2.gz FJIZTUFKTBLIDF-PMERELPUSA-N 0 3 435.598 0.996 20 0 ICADHN CC[S@@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001552428307 1072481779 /nfs/dbraw/zinc/48/17/79/1072481779.db2.gz FJIZTUFKTBLIDF-SSEXGKCCSA-N 0 3 435.598 0.996 20 0 ICADHN CC[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001552429270 1072482481 /nfs/dbraw/zinc/48/24/81/1072482481.db2.gz KJONLFSXSPSHKC-DRKIFQHWSA-N 0 3 445.593 0.852 20 0 ICADHN CC[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001552429272 1072482521 /nfs/dbraw/zinc/48/25/21/1072482521.db2.gz KJONLFSXSPSHKC-FZEVHQGJSA-N 0 3 445.593 0.852 20 0 ICADHN CC[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001552429274 1072482463 /nfs/dbraw/zinc/48/24/63/1072482463.db2.gz KJONLFSXSPSHKC-OKXSDPAFSA-N 0 3 445.593 0.852 20 0 ICADHN CC[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001552429276 1072482546 /nfs/dbraw/zinc/48/25/46/1072482546.db2.gz KJONLFSXSPSHKC-WTPASJBYSA-N 0 3 445.593 0.852 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001552661827 1072488075 /nfs/dbraw/zinc/48/80/75/1072488075.db2.gz CYMZMQRNYSMBHE-GOSISDBHSA-N 0 3 447.584 0.569 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001552661833 1072488093 /nfs/dbraw/zinc/48/80/93/1072488093.db2.gz CYMZMQRNYSMBHE-SFHVURJKSA-N 0 3 447.584 0.569 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)C1 ZINC001552662478 1072487951 /nfs/dbraw/zinc/48/79/51/1072487951.db2.gz KTWLLUYWWHHFHG-DLBZAZTESA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C)C(=O)C1 ZINC001552662479 1072488006 /nfs/dbraw/zinc/48/80/06/1072488006.db2.gz KTWLLUYWWHHFHG-IAGOWNOFSA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)C1 ZINC001552662481 1072487970 /nfs/dbraw/zinc/48/79/70/1072487970.db2.gz KTWLLUYWWHHFHG-IRXDYDNUSA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C)C(=O)C1 ZINC001552662485 1072487934 /nfs/dbraw/zinc/48/79/34/1072487934.db2.gz KTWLLUYWWHHFHG-SJORKVTESA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1Nc1cnn(C)c1 ZINC001552664784 1072488708 /nfs/dbraw/zinc/48/87/08/1072488708.db2.gz VPEWSWNMQIOECE-KRWDZBQOSA-N 0 3 443.556 0.820 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1Nc1cnn(C)c1 ZINC001552664786 1072488724 /nfs/dbraw/zinc/48/87/24/1072488724.db2.gz VPEWSWNMQIOECE-QGZVFWFLSA-N 0 3 443.556 0.820 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001552665257 1072488694 /nfs/dbraw/zinc/48/86/94/1072488694.db2.gz XQKXJGBMNYXLTH-BZSNNMDCSA-N 0 3 447.584 0.426 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001552665261 1072488628 /nfs/dbraw/zinc/48/86/28/1072488628.db2.gz XQKXJGBMNYXLTH-KSZLIROESA-N 0 3 447.584 0.426 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001552665266 1072488643 /nfs/dbraw/zinc/48/86/43/1072488643.db2.gz XQKXJGBMNYXLTH-KURKYZTESA-N 0 3 447.584 0.426 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001552665269 1072488777 /nfs/dbraw/zinc/48/87/77/1072488777.db2.gz XQKXJGBMNYXLTH-SQNIBIBYSA-N 0 3 447.584 0.426 20 0 ICADHN CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001552683346 1072490330 /nfs/dbraw/zinc/49/03/30/1072490330.db2.gz MMWBMXMRMHQHQM-UHFFFAOYSA-N 0 3 430.557 0.848 20 0 ICADHN CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001552700965 1072492209 /nfs/dbraw/zinc/49/22/09/1072492209.db2.gz KNZOKHPRUAEWBV-GOSISDBHSA-N 0 3 447.584 0.742 20 0 ICADHN CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001552716624 1072493567 /nfs/dbraw/zinc/49/35/67/1072493567.db2.gz IVEKSVGZZSSHPY-UHFFFAOYSA-N 0 3 430.557 0.706 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001552717020 1072493440 /nfs/dbraw/zinc/49/34/40/1072493440.db2.gz GMEKYWFZAHSSIU-DLBZAZTESA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001552717023 1072493494 /nfs/dbraw/zinc/49/34/94/1072493494.db2.gz GMEKYWFZAHSSIU-IAGOWNOFSA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001552717025 1072493593 /nfs/dbraw/zinc/49/35/93/1072493593.db2.gz GMEKYWFZAHSSIU-IRXDYDNUSA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001552717027 1072493339 /nfs/dbraw/zinc/49/33/39/1072493339.db2.gz GMEKYWFZAHSSIU-SJORKVTESA-N 0 3 433.557 0.003 20 0 ICADHN CN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001552727607 1072495368 /nfs/dbraw/zinc/49/53/68/1072495368.db2.gz AMRDCLMFZWQHKX-UHFFFAOYSA-N 0 3 443.527 0.917 20 0 ICADHN CN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001552727660 1072495275 /nfs/dbraw/zinc/49/52/75/1072495275.db2.gz CEHFBNHRPNDWMW-UHFFFAOYSA-N 0 3 426.525 0.173 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001552730836 1072497106 /nfs/dbraw/zinc/49/71/06/1072497106.db2.gz BMUHWIFWKCFFND-GOSISDBHSA-N 0 3 440.552 0.095 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001552730837 1072497227 /nfs/dbraw/zinc/49/72/27/1072497227.db2.gz BMUHWIFWKCFFND-SFHVURJKSA-N 0 3 440.552 0.095 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001552736038 1072498917 /nfs/dbraw/zinc/49/89/17/1072498917.db2.gz GCKMXQUDFAOXNT-UHFFFAOYSA-N 0 3 445.593 0.763 20 0 ICADHN CN(C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001552811921 1072502895 /nfs/dbraw/zinc/50/28/95/1072502895.db2.gz KTBKWUDUBLAUMG-HNNXBMFYSA-N 0 3 435.554 0.469 20 0 ICADHN CN(C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001552811923 1072503531 /nfs/dbraw/zinc/50/35/31/1072503531.db2.gz KTBKWUDUBLAUMG-OAHLLOKOSA-N 0 3 435.554 0.469 20 0 ICADHN CN(C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001552848426 1072504134 /nfs/dbraw/zinc/50/41/34/1072504134.db2.gz BXIKAIGFGDPSLU-HNNXBMFYSA-N 0 3 426.587 0.725 20 0 ICADHN CN(C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001552848428 1072504097 /nfs/dbraw/zinc/50/40/97/1072504097.db2.gz BXIKAIGFGDPSLU-OAHLLOKOSA-N 0 3 426.587 0.725 20 0 ICADHN CN(C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001552849080 1072504497 /nfs/dbraw/zinc/50/44/97/1072504497.db2.gz FRKFSPZIIHWGNV-HNNXBMFYSA-N 0 3 426.587 0.725 20 0 ICADHN CN(C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001552849084 1072504548 /nfs/dbraw/zinc/50/45/48/1072504548.db2.gz FRKFSPZIIHWGNV-OAHLLOKOSA-N 0 3 426.587 0.725 20 0 ICADHN CN(C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 ZINC001552853104 1072504700 /nfs/dbraw/zinc/50/47/00/1072504700.db2.gz CELBGUGBLVBSRM-UHFFFAOYSA-N 0 3 434.566 0.873 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001552859992 1072504607 /nfs/dbraw/zinc/50/46/07/1072504607.db2.gz AGHBUTGPPHVHDQ-ARFHVFGLSA-N 0 3 438.598 0.483 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001552859994 1072504429 /nfs/dbraw/zinc/50/44/29/1072504429.db2.gz AGHBUTGPPHVHDQ-BZUAXINKSA-N 0 3 438.598 0.483 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001552859996 1072504681 /nfs/dbraw/zinc/50/46/81/1072504681.db2.gz AGHBUTGPPHVHDQ-OAGGEKHMSA-N 0 3 438.598 0.483 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001552859999 1072504472 /nfs/dbraw/zinc/50/44/72/1072504472.db2.gz AGHBUTGPPHVHDQ-XHSDSOJGSA-N 0 3 438.598 0.483 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001552863658 1072504641 /nfs/dbraw/zinc/50/46/41/1072504641.db2.gz ZLQDLRSJXXYYLT-AUUYWEPGSA-N 0 3 426.587 0.470 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001552863659 1072504444 /nfs/dbraw/zinc/50/44/44/1072504444.db2.gz ZLQDLRSJXXYYLT-IFXJQAMLSA-N 0 3 426.587 0.470 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001552863661 1072504396 /nfs/dbraw/zinc/50/43/96/1072504396.db2.gz ZLQDLRSJXXYYLT-KUHUBIRLSA-N 0 3 426.587 0.470 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001552863663 1072505138 /nfs/dbraw/zinc/50/51/38/1072505138.db2.gz ZLQDLRSJXXYYLT-LIRRHRJNSA-N 0 3 426.587 0.470 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001552887864 1072509333 /nfs/dbraw/zinc/50/93/33/1072509333.db2.gz NEYUZTGUYYHSOY-UHFFFAOYSA-N 0 3 440.614 0.986 20 0 ICADHN CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001552888113 1072509685 /nfs/dbraw/zinc/50/96/85/1072509685.db2.gz OZLBGYGWUYTWAY-AWEZNQCLSA-N 0 3 427.575 0.041 20 0 ICADHN CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001552888114 1072509663 /nfs/dbraw/zinc/50/96/63/1072509663.db2.gz OZLBGYGWUYTWAY-CQSZACIVSA-N 0 3 427.575 0.041 20 0 ICADHN CN(C)C1(Cn2c(-c3cnccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001552936890 1072513559 /nfs/dbraw/zinc/51/35/59/1072513559.db2.gz ZAVBWPGPBIIHHG-HNNXBMFYSA-N 0 3 435.554 0.469 20 0 ICADHN CN(C)C1(Cn2c(-c3cnccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001552936892 1072513653 /nfs/dbraw/zinc/51/36/53/1072513653.db2.gz ZAVBWPGPBIIHHG-OAHLLOKOSA-N 0 3 435.554 0.469 20 0 ICADHN CN(c1nnc([C@H]2CCOC2)n1CCN1CC=CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001552965177 1072515261 /nfs/dbraw/zinc/51/52/61/1072515261.db2.gz WANKHBFHSLLXOZ-KRWDZBQOSA-N 0 3 438.598 0.904 20 0 ICADHN CN(c1nnc([C@@H]2CCOC2)n1CCN1CC=CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001552965180 1072515300 /nfs/dbraw/zinc/51/53/00/1072515300.db2.gz WANKHBFHSLLXOZ-QGZVFWFLSA-N 0 3 438.598 0.904 20 0 ICADHN CN(CC(=O)N1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC1 ZINC001554124975 1072519922 /nfs/dbraw/zinc/51/99/22/1072519922.db2.gz JBGBEBUYGHZQJJ-UHFFFAOYSA-N 0 3 442.524 0.316 20 0 ICADHN CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001554125156 1072519782 /nfs/dbraw/zinc/51/97/82/1072519782.db2.gz LHYYXJFYAIDSFP-UHFFFAOYSA-N 0 3 435.617 0.897 20 0 ICADHN CN(CCc1cnccn1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 ZINC001554261802 1072532358 /nfs/dbraw/zinc/53/23/58/1072532358.db2.gz JSQMEPDIDZMCFF-GOSISDBHSA-N 0 3 441.584 0.724 20 0 ICADHN CN(CCc1cnccn1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 ZINC001554261805 1072532417 /nfs/dbraw/zinc/53/24/17/1072532417.db2.gz JSQMEPDIDZMCFF-SFHVURJKSA-N 0 3 441.584 0.724 20 0 ICADHN CN(C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)CCCC1 ZINC001554288046 1072535636 /nfs/dbraw/zinc/53/56/36/1072535636.db2.gz ZUQBTBYDUPEAFO-HNNXBMFYSA-N 0 3 426.587 0.975 20 0 ICADHN CN(C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)CCCC1 ZINC001554288047 1072535593 /nfs/dbraw/zinc/53/55/93/1072535593.db2.gz ZUQBTBYDUPEAFO-OAHLLOKOSA-N 0 3 426.587 0.975 20 0 ICADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC001554292430 1072535985 /nfs/dbraw/zinc/53/59/85/1072535985.db2.gz WHJWTBZIGPSBNM-KRWDZBQOSA-N 0 3 429.500 0.827 20 0 ICADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)Cc1ccc(F)cc1 ZINC001554292431 1072536083 /nfs/dbraw/zinc/53/60/83/1072536083.db2.gz WHJWTBZIGPSBNM-QGZVFWFLSA-N 0 3 429.500 0.827 20 0 ICADHN CN(CCS(C)(=O)=O)c1nnc(-c2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001554318876 1072545503 /nfs/dbraw/zinc/54/55/03/1072545503.db2.gz QEFBQCKKXFQIPA-UHFFFAOYSA-N 0 3 435.598 0.847 20 0 ICADHN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1 ZINC001554319344 1072546491 /nfs/dbraw/zinc/54/64/91/1072546491.db2.gz ZUQCMOVQTWQDGQ-HNNXBMFYSA-N 0 3 426.587 0.832 20 0 ICADHN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1 ZINC001554319345 1072546297 /nfs/dbraw/zinc/54/62/97/1072546297.db2.gz ZUQCMOVQTWQDGQ-OAHLLOKOSA-N 0 3 426.587 0.832 20 0 ICADHN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001554320397 1072546418 /nfs/dbraw/zinc/54/64/18/1072546418.db2.gz RCZQJMJORHPPJA-MRXNPFEDSA-N 0 3 428.603 0.636 20 0 ICADHN Cn1cc(-c2nnc(N3CCN(CC4CC4)CC3)n2CC(=O)NCC(F)(F)F)cn1 ZINC001554333629 1072551092 /nfs/dbraw/zinc/55/10/92/1072551092.db2.gz QCOAXZHSMULTMN-UHFFFAOYSA-N 0 3 426.447 0.889 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC(F)F)CC1 ZINC001554359565 1072564880 /nfs/dbraw/zinc/56/48/80/1072564880.db2.gz BAKWPIPILHIJFX-AWEZNQCLSA-N 0 3 441.527 0.700 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC(F)F)CC1 ZINC001554359566 1072564738 /nfs/dbraw/zinc/56/47/38/1072564738.db2.gz BAKWPIPILHIJFX-CQSZACIVSA-N 0 3 441.527 0.700 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCn2cncn2)CC1 ZINC001554359621 1072565046 /nfs/dbraw/zinc/56/50/46/1072565046.db2.gz FORQCOMQUNLRCW-KRWDZBQOSA-N 0 3 429.573 0.901 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCn2cncn2)CC1 ZINC001554359622 1072565170 /nfs/dbraw/zinc/56/51/70/1072565170.db2.gz FORQCOMQUNLRCW-QGZVFWFLSA-N 0 3 429.573 0.901 20 0 ICADHN CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C)C(=O)C2)CCSC1 ZINC001554359837 1072564989 /nfs/dbraw/zinc/56/49/89/1072564989.db2.gz JOLBOZPCDOVDKI-FQEVSTJZSA-N 0 3 444.565 0.641 20 0 ICADHN CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C)C(=O)C2)CCSC1 ZINC001554359838 1072564917 /nfs/dbraw/zinc/56/49/17/1072564917.db2.gz JOLBOZPCDOVDKI-HXUWFJFHSA-N 0 3 444.565 0.641 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2nnn(C)n2)CC1 ZINC001554360107 1072565541 /nfs/dbraw/zinc/56/55/41/1072565541.db2.gz PDTMNSMUQBHDGR-HNNXBMFYSA-N 0 3 430.561 0.181 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2nnn(C)n2)CC1 ZINC001554360108 1072565822 /nfs/dbraw/zinc/56/58/22/1072565822.db2.gz PDTMNSMUQBHDGR-OAHLLOKOSA-N 0 3 430.561 0.181 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361265 1072565876 /nfs/dbraw/zinc/56/58/76/1072565876.db2.gz UBOCLJJCPZAPCG-CVEARBPZSA-N 0 3 433.557 0.133 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361266 1072565703 /nfs/dbraw/zinc/56/57/03/1072565703.db2.gz UBOCLJJCPZAPCG-HOTGVXAUSA-N 0 3 433.557 0.133 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361267 1072565605 /nfs/dbraw/zinc/56/56/05/1072565605.db2.gz UBOCLJJCPZAPCG-HZPDHXFCSA-N 0 3 433.557 0.133 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)CC1 ZINC001554361268 1072565953 /nfs/dbraw/zinc/56/59/53/1072565953.db2.gz UBOCLJJCPZAPCG-JKSUJKDBSA-N 0 3 433.557 0.133 20 0 ICADHN CN1CCN(CCn2c(-c3cnccn3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1(C)C ZINC001554364197 1072568568 /nfs/dbraw/zinc/56/85/68/1072568568.db2.gz FFEGMVSKQUTDTH-NRFANRHFSA-N 0 3 427.557 0.463 20 0 ICADHN CN1CCN(CCn2c(-c3cnccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1(C)C ZINC001554364198 1072568412 /nfs/dbraw/zinc/56/84/12/1072568412.db2.gz FFEGMVSKQUTDTH-OAQYLSRUSA-N 0 3 427.557 0.463 20 0 ICADHN CN1CCN(CCn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001554364353 1072568349 /nfs/dbraw/zinc/56/83/49/1072568349.db2.gz LREKEIJJNFXKEX-UHFFFAOYSA-N 0 3 433.582 0.601 20 0 ICADHN CN1CCN(CCn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001554364393 1072568503 /nfs/dbraw/zinc/56/85/03/1072568503.db2.gz NGOLLISYXKAPCB-SFHVURJKSA-N 0 3 440.596 0.992 20 0 ICADHN CN1CCN(CCn2c(Cc3ccncc3)nnc2N2CCNC(=O)CC2)CC1(C)C ZINC001554364655 1072569252 /nfs/dbraw/zinc/56/92/52/1072569252.db2.gz RTJJEHTYNVWAIC-UHFFFAOYSA-N 0 3 426.569 0.616 20 0 ICADHN CN1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364861 1072569428 /nfs/dbraw/zinc/56/94/28/1072569428.db2.gz VHKKSEYWAQGKEX-KRWDZBQOSA-N 0 3 446.600 0.347 20 0 ICADHN CN1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C ZINC001554364862 1072569151 /nfs/dbraw/zinc/56/91/51/1072569151.db2.gz VHKKSEYWAQGKEX-QGZVFWFLSA-N 0 3 446.600 0.347 20 0 ICADHN CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001554365039 1072569311 /nfs/dbraw/zinc/56/93/11/1072569311.db2.gz XKKYAAXNGSSHOK-UHFFFAOYSA-N 0 3 447.609 0.525 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001554368669 1072572394 /nfs/dbraw/zinc/57/23/94/1072572394.db2.gz VUDOKCVYVTZNMK-UHFFFAOYSA-N 0 3 447.584 0.587 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001554372826 1072572866 /nfs/dbraw/zinc/57/28/66/1072572866.db2.gz UPRLZRHAFJIDRG-INIZCTEOSA-N 0 3 430.557 0.609 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001554372830 1072573160 /nfs/dbraw/zinc/57/31/60/1072573160.db2.gz UPRLZRHAFJIDRG-MRXNPFEDSA-N 0 3 430.557 0.609 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001554374851 1072574156 /nfs/dbraw/zinc/57/41/56/1072574156.db2.gz USLIEMDSZAPXAP-KRWDZBQOSA-N 0 3 447.584 0.299 20 0 ICADHN CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001554374852 1072574268 /nfs/dbraw/zinc/57/42/68/1072574268.db2.gz USLIEMDSZAPXAP-QGZVFWFLSA-N 0 3 447.584 0.299 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001554388253 1072579396 /nfs/dbraw/zinc/57/93/96/1072579396.db2.gz JFMCKZGFIDPTAH-CVEARBPZSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001554388256 1072579242 /nfs/dbraw/zinc/57/92/42/1072579242.db2.gz JFMCKZGFIDPTAH-HOTGVXAUSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001554388259 1072579366 /nfs/dbraw/zinc/57/93/66/1072579366.db2.gz JFMCKZGFIDPTAH-HZPDHXFCSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001554388261 1072579316 /nfs/dbraw/zinc/57/93/16/1072579316.db2.gz JFMCKZGFIDPTAH-JKSUJKDBSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)c1cccc(CCn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001554413053 1072591232 /nfs/dbraw/zinc/59/12/32/1072591232.db2.gz KVBABHYHWOGCHB-FQEVSTJZSA-N 0 3 439.564 0.932 20 0 ICADHN CNC(=O)c1cccc(CCn2c(C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001554413055 1072591083 /nfs/dbraw/zinc/59/10/83/1072591083.db2.gz KVBABHYHWOGCHB-HXUWFJFHSA-N 0 3 439.564 0.932 20 0 ICADHN CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001554418834 1072593992 /nfs/dbraw/zinc/59/39/92/1072593992.db2.gz ROSZDJDYSZSVTQ-MSOLQXFVSA-N 0 3 447.584 0.323 20 0 ICADHN CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)C1 ZINC001554418835 1072593726 /nfs/dbraw/zinc/59/37/26/1072593726.db2.gz ROSZDJDYSZSVTQ-QZTJIDSGSA-N 0 3 447.584 0.323 20 0 ICADHN CNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001554418836 1072593584 /nfs/dbraw/zinc/59/35/84/1072593584.db2.gz ROSZDJDYSZSVTQ-ROUUACIJSA-N 0 3 447.584 0.323 20 0 ICADHN CNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)C1 ZINC001554418837 1072593893 /nfs/dbraw/zinc/59/38/93/1072593893.db2.gz ROSZDJDYSZSVTQ-ZWKOTPCHSA-N 0 3 447.584 0.323 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001554448211 1072618879 /nfs/dbraw/zinc/61/88/79/1072618879.db2.gz YZULKHKIBCXCCJ-DLBZAZTESA-N 0 3 444.565 0.994 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)CCO1 ZINC001554448212 1072618926 /nfs/dbraw/zinc/61/89/26/1072618926.db2.gz YZULKHKIBCXCCJ-IAGOWNOFSA-N 0 3 444.565 0.994 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001554448213 1072618828 /nfs/dbraw/zinc/61/88/28/1072618828.db2.gz YZULKHKIBCXCCJ-IRXDYDNUSA-N 0 3 444.565 0.994 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)CCO1 ZINC001554448214 1072618851 /nfs/dbraw/zinc/61/88/51/1072618851.db2.gz YZULKHKIBCXCCJ-SJORKVTESA-N 0 3 444.565 0.994 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001554450203 1072621321 /nfs/dbraw/zinc/62/13/21/1072621321.db2.gz UCMHSHUBHFCXMH-ILXRZTDVSA-N 0 3 447.565 0.545 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001554450204 1072621426 /nfs/dbraw/zinc/62/14/26/1072621426.db2.gz UCMHSHUBHFCXMH-KFWWJZLASA-N 0 3 447.565 0.545 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001554450205 1072621199 /nfs/dbraw/zinc/62/11/99/1072621199.db2.gz UCMHSHUBHFCXMH-KKUMJFAQSA-N 0 3 447.565 0.545 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001554450206 1072621134 /nfs/dbraw/zinc/62/11/34/1072621134.db2.gz UCMHSHUBHFCXMH-ZNMIVQPWSA-N 0 3 447.565 0.545 20 0 ICADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCCC2)CCO1 ZINC001554452688 1072626708 /nfs/dbraw/zinc/62/67/08/1072626708.db2.gz LNXIZIVYHDIACP-BZSNNMDCSA-N 0 3 436.557 0.439 20 0 ICADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCCC2)CCO1 ZINC001554452689 1072626622 /nfs/dbraw/zinc/62/66/22/1072626622.db2.gz LNXIZIVYHDIACP-KSZLIROESA-N 0 3 436.557 0.439 20 0 ICADHN CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 ZINC001554467473 1072632685 /nfs/dbraw/zinc/63/26/85/1072632685.db2.gz KMXMYMFUZOHVJX-FQEVSTJZSA-N 0 3 446.581 0.935 20 0 ICADHN CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 ZINC001554467474 1072632675 /nfs/dbraw/zinc/63/26/75/1072632675.db2.gz KMXMYMFUZOHVJX-HXUWFJFHSA-N 0 3 446.581 0.935 20 0 ICADHN CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001554475640 1072636729 /nfs/dbraw/zinc/63/67/29/1072636729.db2.gz GHTUPJXQGPXAEW-UHFFFAOYSA-N 0 3 428.585 0.862 20 0 ICADHN CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001554477233 1072638176 /nfs/dbraw/zinc/63/81/76/1072638176.db2.gz OBJQPQBCDYVTFD-INIZCTEOSA-N 0 3 433.557 0.340 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001554477660 1072638717 /nfs/dbraw/zinc/63/87/17/1072638717.db2.gz UBNJNXIZADXHSE-DLBZAZTESA-N 0 3 435.573 0.645 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001554477662 1072638822 /nfs/dbraw/zinc/63/88/22/1072638822.db2.gz UBNJNXIZADXHSE-IAGOWNOFSA-N 0 3 435.573 0.645 20 0 ICADHN CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001554480135 1072640490 /nfs/dbraw/zinc/64/04/90/1072640490.db2.gz WCAMLIJSEQKNLJ-IAGOWNOFSA-N 0 3 438.573 0.828 20 0 ICADHN CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001554480136 1072640562 /nfs/dbraw/zinc/64/05/62/1072640562.db2.gz WCAMLIJSEQKNLJ-SJORKVTESA-N 0 3 438.573 0.828 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001554485912 1072644043 /nfs/dbraw/zinc/64/40/43/1072644043.db2.gz DRAPGYPQKVBHIS-KRWDZBQOSA-N 0 3 430.557 0.715 20 0 ICADHN CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001554485913 1072644099 /nfs/dbraw/zinc/64/40/99/1072644099.db2.gz DRAPGYPQKVBHIS-QGZVFWFLSA-N 0 3 430.557 0.715 20 0 ICADHN CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001554488061 1072646235 /nfs/dbraw/zinc/64/62/35/1072646235.db2.gz YAPMOAFNDYIZTN-UHFFFAOYSA-N 0 3 427.553 0.949 20 0 ICADHN CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001554489334 1072646853 /nfs/dbraw/zinc/64/68/53/1072646853.db2.gz LELAOCUITIZDNU-UHFFFAOYSA-N 0 3 444.584 0.824 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001554505976 1072662114 /nfs/dbraw/zinc/66/21/14/1072662114.db2.gz CYBWTDGDSAVFGX-UHFFFAOYSA-N 0 3 435.554 0.190 20 0 ICADHN CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001554507630 1072665395 /nfs/dbraw/zinc/66/53/95/1072665395.db2.gz LYXZKXGUGONJDB-UHFFFAOYSA-N 0 3 426.587 0.643 20 0 ICADHN CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 ZINC001554509365 1072668521 /nfs/dbraw/zinc/66/85/21/1072668521.db2.gz YIIKESPYIBFSHQ-UHFFFAOYSA-N 0 3 433.582 0.878 20 0 ICADHN CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC2CC2)CC1 ZINC001554509387 1072668429 /nfs/dbraw/zinc/66/84/29/1072668429.db2.gz ZENPUFKECDOLCO-UHFFFAOYSA-N 0 3 448.593 0.959 20 0 ICADHN COC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001554523866 1072673337 /nfs/dbraw/zinc/67/33/37/1072673337.db2.gz OFORTSVJCIZAMM-KRWDZBQOSA-N 0 3 447.584 0.539 20 0 ICADHN COC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001554523867 1072673909 /nfs/dbraw/zinc/67/39/09/1072673909.db2.gz OFORTSVJCIZAMM-QGZVFWFLSA-N 0 3 447.584 0.539 20 0 ICADHN COC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001554535015 1072676573 /nfs/dbraw/zinc/67/65/73/1072676573.db2.gz PATOTFBTFVOTTA-KRWDZBQOSA-N 0 3 447.584 0.645 20 0 ICADHN COC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001554535016 1072676524 /nfs/dbraw/zinc/67/65/24/1072676524.db2.gz PATOTFBTFVOTTA-QGZVFWFLSA-N 0 3 447.584 0.645 20 0 ICADHN COC(=O)C[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H](C)C2)C[C@H]1O ZINC001554544512 1072679490 /nfs/dbraw/zinc/67/94/90/1072679490.db2.gz MPMMOXRJGMPDHY-BRWVUGGUSA-N 0 3 436.557 0.508 20 0 ICADHN COC(=O)C[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)C[C@H]1O ZINC001554544513 1072679343 /nfs/dbraw/zinc/67/93/43/1072679343.db2.gz MPMMOXRJGMPDHY-GVDBMIGSSA-N 0 3 436.557 0.508 20 0 ICADHN COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001554559883 1072686915 /nfs/dbraw/zinc/68/69/15/1072686915.db2.gz GPLRJOSVKDBBPW-KRWDZBQOSA-N 0 3 435.573 0.696 20 0 ICADHN COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001554559884 1072686946 /nfs/dbraw/zinc/68/69/46/1072686946.db2.gz GPLRJOSVKDBBPW-QGZVFWFLSA-N 0 3 435.573 0.696 20 0 ICADHN COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001554576463 1072690984 /nfs/dbraw/zinc/69/09/84/1072690984.db2.gz FOHNHZZWRRWKTA-KRWDZBQOSA-N 0 3 447.584 0.568 20 0 ICADHN COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001554576464 1072690966 /nfs/dbraw/zinc/69/09/66/1072690966.db2.gz FOHNHZZWRRWKTA-QGZVFWFLSA-N 0 3 447.584 0.568 20 0 ICADHN CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001554628925 1072696394 /nfs/dbraw/zinc/69/63/94/1072696394.db2.gz XJXAHPKSLYFYKP-MSOLQXFVSA-N 0 3 449.600 0.830 20 0 ICADHN CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001554628926 1072696362 /nfs/dbraw/zinc/69/63/62/1072696362.db2.gz XJXAHPKSLYFYKP-QZTJIDSGSA-N 0 3 449.600 0.830 20 0 ICADHN CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001554628927 1072696902 /nfs/dbraw/zinc/69/69/02/1072696902.db2.gz XJXAHPKSLYFYKP-ROUUACIJSA-N 0 3 449.600 0.830 20 0 ICADHN CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001554628928 1072696929 /nfs/dbraw/zinc/69/69/29/1072696929.db2.gz XJXAHPKSLYFYKP-ZWKOTPCHSA-N 0 3 449.600 0.830 20 0 ICADHN COC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001554702839 1072702243 /nfs/dbraw/zinc/70/22/43/1072702243.db2.gz MKBGWZMHYHWKQP-DLBZAZTESA-N 0 3 441.598 0.642 20 0 ICADHN COC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001554702840 1072702335 /nfs/dbraw/zinc/70/23/35/1072702335.db2.gz MKBGWZMHYHWKQP-IAGOWNOFSA-N 0 3 441.598 0.642 20 0 ICADHN COC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001554702841 1072702208 /nfs/dbraw/zinc/70/22/08/1072702208.db2.gz MKBGWZMHYHWKQP-IRXDYDNUSA-N 0 3 441.598 0.642 20 0 ICADHN COC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001554702842 1072702197 /nfs/dbraw/zinc/70/21/97/1072702197.db2.gz MKBGWZMHYHWKQP-SJORKVTESA-N 0 3 441.598 0.642 20 0 ICADHN COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 ZINC001555120421 1072724229 /nfs/dbraw/zinc/72/42/29/1072724229.db2.gz BRNISXZCVGUNEJ-HNNXBMFYSA-N 0 3 449.581 0.872 20 0 ICADHN COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 ZINC001555120422 1072724660 /nfs/dbraw/zinc/72/46/60/1072724660.db2.gz BRNISXZCVGUNEJ-OAHLLOKOSA-N 0 3 449.581 0.872 20 0 ICADHN COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001555155606 1072728370 /nfs/dbraw/zinc/72/83/70/1072728370.db2.gz BVRAMGIBDIESGO-UHFFFAOYSA-N 0 3 435.573 0.584 20 0 ICADHN COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CC1 ZINC001555194580 1072732192 /nfs/dbraw/zinc/73/21/92/1072732192.db2.gz GAVDOLUCKIRGGM-KRWDZBQOSA-N 0 3 433.557 0.293 20 0 ICADHN COCC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CC1 ZINC001555194581 1072732103 /nfs/dbraw/zinc/73/21/03/1072732103.db2.gz GAVDOLUCKIRGGM-QGZVFWFLSA-N 0 3 433.557 0.293 20 0 ICADHN COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555222977 1072744874 /nfs/dbraw/zinc/74/48/74/1072744874.db2.gz IWZOGKSLVIINPG-KRWDZBQOSA-N 0 3 449.600 0.832 20 0 ICADHN COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555222978 1072744754 /nfs/dbraw/zinc/74/47/54/1072744754.db2.gz IWZOGKSLVIINPG-QGZVFWFLSA-N 0 3 449.600 0.832 20 0 ICADHN COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555226610 1072745188 /nfs/dbraw/zinc/74/51/88/1072745188.db2.gz SEFYPGIBCFEPME-GOSISDBHSA-N 0 3 447.584 0.541 20 0 ICADHN COC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555226611 1072745258 /nfs/dbraw/zinc/74/52/58/1072745258.db2.gz SEFYPGIBCFEPME-SFHVURJKSA-N 0 3 447.584 0.541 20 0 ICADHN COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001555247795 1072747584 /nfs/dbraw/zinc/74/75/84/1072747584.db2.gz AUUKFKLUNMWVKW-CABCVRRESA-N 0 3 432.591 0.470 20 0 ICADHN COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001555247801 1072747699 /nfs/dbraw/zinc/74/76/99/1072747699.db2.gz AUUKFKLUNMWVKW-GJZGRUSLSA-N 0 3 432.591 0.470 20 0 ICADHN COC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001555247804 1072747627 /nfs/dbraw/zinc/74/76/27/1072747627.db2.gz AUUKFKLUNMWVKW-HUUCEWRRSA-N 0 3 432.591 0.470 20 0 ICADHN COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001555247806 1072748168 /nfs/dbraw/zinc/74/81/68/1072748168.db2.gz AUUKFKLUNMWVKW-LSDHHAIUSA-N 0 3 432.591 0.470 20 0 ICADHN COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555271621 1072753780 /nfs/dbraw/zinc/75/37/80/1072753780.db2.gz JRLSAGZJECBLNL-DLBZAZTESA-N 0 3 434.520 0.406 20 0 ICADHN COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555271622 1072754474 /nfs/dbraw/zinc/75/44/74/1072754474.db2.gz JRLSAGZJECBLNL-IAGOWNOFSA-N 0 3 434.520 0.406 20 0 ICADHN COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555271623 1072754371 /nfs/dbraw/zinc/75/43/71/1072754371.db2.gz JRLSAGZJECBLNL-IRXDYDNUSA-N 0 3 434.520 0.406 20 0 ICADHN COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555271624 1072754284 /nfs/dbraw/zinc/75/42/84/1072754284.db2.gz JRLSAGZJECBLNL-SJORKVTESA-N 0 3 434.520 0.406 20 0 ICADHN COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555275218 1072754833 /nfs/dbraw/zinc/75/48/33/1072754833.db2.gz BDSJPPVKUZZGEQ-GOSISDBHSA-N 0 3 445.543 0.993 20 0 ICADHN COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555275221 1072754943 /nfs/dbraw/zinc/75/49/43/1072754943.db2.gz BDSJPPVKUZZGEQ-SFHVURJKSA-N 0 3 445.543 0.993 20 0 ICADHN COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001555377348 1072765235 /nfs/dbraw/zinc/76/52/35/1072765235.db2.gz AFKZAKNEZMXDFU-BEFAXECRSA-N 0 3 426.587 0.705 20 0 ICADHN COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001555377349 1072765172 /nfs/dbraw/zinc/76/51/72/1072765172.db2.gz AFKZAKNEZMXDFU-DNVCBOLYSA-N 0 3 426.587 0.705 20 0 ICADHN COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001555377350 1072765140 /nfs/dbraw/zinc/76/51/40/1072765140.db2.gz AFKZAKNEZMXDFU-HNAYVOBHSA-N 0 3 426.587 0.705 20 0 ICADHN COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001555377351 1072765239 /nfs/dbraw/zinc/76/52/39/1072765239.db2.gz AFKZAKNEZMXDFU-KXBFYZLASA-N 0 3 426.587 0.705 20 0 ICADHN COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001555396553 1072770903 /nfs/dbraw/zinc/77/09/03/1072770903.db2.gz GYLGVMNDNRCBSY-CVEARBPZSA-N 0 3 429.587 0.620 20 0 ICADHN COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001555396554 1072771445 /nfs/dbraw/zinc/77/14/45/1072771445.db2.gz GYLGVMNDNRCBSY-HOTGVXAUSA-N 0 3 429.587 0.620 20 0 ICADHN COC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001555396555 1072771366 /nfs/dbraw/zinc/77/13/66/1072771366.db2.gz GYLGVMNDNRCBSY-HZPDHXFCSA-N 0 3 429.587 0.620 20 0 ICADHN COC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001555396556 1072771425 /nfs/dbraw/zinc/77/14/25/1072771425.db2.gz GYLGVMNDNRCBSY-JKSUJKDBSA-N 0 3 429.587 0.620 20 0 ICADHN COCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001555425141 1072776106 /nfs/dbraw/zinc/77/61/06/1072776106.db2.gz ZETWWEQMVSXPCJ-DYESRHJHSA-N 0 3 433.557 0.625 20 0 ICADHN COCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001555425142 1072776143 /nfs/dbraw/zinc/77/61/43/1072776143.db2.gz ZETWWEQMVSXPCJ-LAUBAEHRSA-N 0 3 433.557 0.625 20 0 ICADHN COCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001555425143 1072776073 /nfs/dbraw/zinc/77/60/73/1072776073.db2.gz ZETWWEQMVSXPCJ-UTKZUKDTSA-N 0 3 433.557 0.625 20 0 ICADHN COCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001555425144 1072776017 /nfs/dbraw/zinc/77/60/17/1072776017.db2.gz ZETWWEQMVSXPCJ-UWJYYQICSA-N 0 3 433.557 0.625 20 0 ICADHN COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555465790 1072781148 /nfs/dbraw/zinc/78/11/48/1072781148.db2.gz JYVPGYGXFGXWLP-UHFFFAOYSA-N 0 3 435.573 0.587 20 0 ICADHN COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555469748 1072781486 /nfs/dbraw/zinc/78/14/86/1072781486.db2.gz SXNWSEFDCYRAQH-DLBZAZTESA-N 0 3 433.557 0.399 20 0 ICADHN COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555469749 1072781531 /nfs/dbraw/zinc/78/15/31/1072781531.db2.gz SXNWSEFDCYRAQH-IAGOWNOFSA-N 0 3 433.557 0.399 20 0 ICADHN COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555469750 1072781554 /nfs/dbraw/zinc/78/15/54/1072781554.db2.gz SXNWSEFDCYRAQH-IRXDYDNUSA-N 0 3 433.557 0.399 20 0 ICADHN COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555469751 1072781471 /nfs/dbraw/zinc/78/14/71/1072781471.db2.gz SXNWSEFDCYRAQH-SJORKVTESA-N 0 3 433.557 0.399 20 0 ICADHN COCCCN(c1nnc(C)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001555488456 1072785948 /nfs/dbraw/zinc/78/59/48/1072785948.db2.gz USEDURCYTKIREM-GOSISDBHSA-N 0 3 442.630 0.643 20 0 ICADHN COCCCN(c1nnc(C)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001555488457 1072785787 /nfs/dbraw/zinc/78/57/87/1072785787.db2.gz USEDURCYTKIREM-SFHVURJKSA-N 0 3 442.630 0.643 20 0 ICADHN COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001555490826 1072786496 /nfs/dbraw/zinc/78/64/96/1072786496.db2.gz SZJOUTSPGBBPEG-CVEARBPZSA-N 0 3 430.575 0.083 20 0 ICADHN COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001555490827 1072786262 /nfs/dbraw/zinc/78/62/62/1072786262.db2.gz SZJOUTSPGBBPEG-HOTGVXAUSA-N 0 3 430.575 0.083 20 0 ICADHN COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001555490828 1072786549 /nfs/dbraw/zinc/78/65/49/1072786549.db2.gz SZJOUTSPGBBPEG-HZPDHXFCSA-N 0 3 430.575 0.083 20 0 ICADHN COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001555490829 1072786418 /nfs/dbraw/zinc/78/64/18/1072786418.db2.gz SZJOUTSPGBBPEG-JKSUJKDBSA-N 0 3 430.575 0.083 20 0 ICADHN COCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001555523715 1072793740 /nfs/dbraw/zinc/79/37/40/1072793740.db2.gz JXBVHVBTYJWQPM-UHFFFAOYSA-N 0 3 430.557 0.800 20 0 ICADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001555523732 1072794000 /nfs/dbraw/zinc/79/40/00/1072794000.db2.gz KJBQTODQWCIYAX-KFWWJZLASA-N 0 3 434.632 0.797 20 0 ICADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001555523733 1072793816 /nfs/dbraw/zinc/79/38/16/1072793816.db2.gz KJBQTODQWCIYAX-KKUMJFAQSA-N 0 3 434.632 0.797 20 0 ICADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001555523734 1072793696 /nfs/dbraw/zinc/79/36/96/1072793696.db2.gz KJBQTODQWCIYAX-QLFBSQMISA-N 0 3 434.632 0.797 20 0 ICADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001555523735 1072794114 /nfs/dbraw/zinc/79/41/14/1072794114.db2.gz KJBQTODQWCIYAX-ZNMIVQPWSA-N 0 3 434.632 0.797 20 0 ICADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001555523996 1072794056 /nfs/dbraw/zinc/79/40/56/1072794056.db2.gz QRFWJIOLKQNAKY-CRAIPNDOSA-N 0 3 446.643 0.800 20 0 ICADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 ZINC001555523997 1072794811 /nfs/dbraw/zinc/79/48/11/1072794811.db2.gz QRFWJIOLKQNAKY-MAUKXSAKSA-N 0 3 446.643 0.800 20 0 ICADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 ZINC001555523998 1072794555 /nfs/dbraw/zinc/79/45/55/1072794555.db2.gz QRFWJIOLKQNAKY-QAPCUYQASA-N 0 3 446.643 0.800 20 0 ICADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 ZINC001555523999 1072794614 /nfs/dbraw/zinc/79/46/14/1072794614.db2.gz QRFWJIOLKQNAKY-YJBOKZPZSA-N 0 3 446.643 0.800 20 0 ICADHN COCCN(C)CCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001555524332 1072794676 /nfs/dbraw/zinc/79/46/76/1072794676.db2.gz UTGUEJUNWOZUBN-UHFFFAOYSA-N 0 3 436.582 0.984 20 0 ICADHN COCCN(C)CCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001555524387 1072794749 /nfs/dbraw/zinc/79/47/49/1072794749.db2.gz VUIYPMPZXFSUFK-UHFFFAOYSA-N 0 3 435.573 0.251 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 ZINC001555526671 1072794652 /nfs/dbraw/zinc/79/46/52/1072794652.db2.gz BHGVBTLLNSPRET-INIZCTEOSA-N 0 3 448.597 0.981 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 ZINC001555526672 1072794845 /nfs/dbraw/zinc/79/48/45/1072794845.db2.gz BHGVBTLLNSPRET-MRXNPFEDSA-N 0 3 448.597 0.981 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001555526793 1072794365 /nfs/dbraw/zinc/79/43/65/1072794365.db2.gz FVBPPIQYHBPXJL-OALUTQOASA-N 0 3 449.600 0.356 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001555526794 1072794524 /nfs/dbraw/zinc/79/45/24/1072794524.db2.gz FVBPPIQYHBPXJL-RBUKOAKNSA-N 0 3 449.600 0.356 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001555526886 1072795323 /nfs/dbraw/zinc/79/53/23/1072795323.db2.gz INHSKWGHGYHJRP-KRWDZBQOSA-N 0 3 430.557 0.925 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001555526887 1072795568 /nfs/dbraw/zinc/79/55/68/1072795568.db2.gz INHSKWGHGYHJRP-QGZVFWFLSA-N 0 3 430.557 0.925 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 ZINC001555527006 1072795172 /nfs/dbraw/zinc/79/51/72/1072795172.db2.gz CGXJXRMYRZZXPL-KRWDZBQOSA-N 0 3 442.586 0.346 20 0 ICADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 ZINC001555527007 1072795440 /nfs/dbraw/zinc/79/54/40/1072795440.db2.gz CGXJXRMYRZZXPL-QGZVFWFLSA-N 0 3 442.586 0.346 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001555527091 1072795338 /nfs/dbraw/zinc/79/53/38/1072795338.db2.gz KZROCYCFPJMPCW-DYESRHJHSA-N 0 3 446.556 0.293 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001555527092 1072795243 /nfs/dbraw/zinc/79/52/43/1072795243.db2.gz KZROCYCFPJMPCW-LAUBAEHRSA-N 0 3 446.556 0.293 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001555527093 1072795355 /nfs/dbraw/zinc/79/53/55/1072795355.db2.gz KZROCYCFPJMPCW-UTKZUKDTSA-N 0 3 446.556 0.293 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001555527094 1072795479 /nfs/dbraw/zinc/79/54/79/1072795479.db2.gz KZROCYCFPJMPCW-UWJYYQICSA-N 0 3 446.556 0.293 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001555527281 1072795293 /nfs/dbraw/zinc/79/52/93/1072795293.db2.gz MYVCKZGCVRFCBV-INIZCTEOSA-N 0 3 433.557 0.256 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001555527282 1072795225 /nfs/dbraw/zinc/79/52/25/1072795225.db2.gz MYVCKZGCVRFCBV-MRXNPFEDSA-N 0 3 433.557 0.256 20 0 ICADHN COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC[C@@H]1C ZINC001555527306 1072795276 /nfs/dbraw/zinc/79/52/76/1072795276.db2.gz NLJZWZXCXRAAPA-INIZCTEOSA-N 0 3 441.536 0.995 20 0 ICADHN COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC[C@H]1C ZINC001555527309 1072795367 /nfs/dbraw/zinc/79/53/67/1072795367.db2.gz NLJZWZXCXRAAPA-MRXNPFEDSA-N 0 3 441.536 0.995 20 0 ICADHN COCCN(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOCC1 ZINC001555527450 1072795606 /nfs/dbraw/zinc/79/56/06/1072795606.db2.gz HSAJBBQVKYMFIG-UHFFFAOYSA-N 0 3 430.557 0.867 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001555527719 1072796292 /nfs/dbraw/zinc/79/62/92/1072796292.db2.gz LIQAPSYYBXXJGD-KRWDZBQOSA-N 0 3 437.589 0.990 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001555527720 1072795951 /nfs/dbraw/zinc/79/59/51/1072795951.db2.gz LIQAPSYYBXXJGD-QGZVFWFLSA-N 0 3 437.589 0.990 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001555527734 1072795872 /nfs/dbraw/zinc/79/58/72/1072795872.db2.gz RRAKMPXKINWIDZ-KRWDZBQOSA-N 0 3 443.556 0.232 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001555527735 1072796326 /nfs/dbraw/zinc/79/63/26/1072796326.db2.gz RRAKMPXKINWIDZ-QGZVFWFLSA-N 0 3 443.556 0.232 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001555527749 1072795882 /nfs/dbraw/zinc/79/58/82/1072795882.db2.gz RWYRYEDVFVOSFP-GOSISDBHSA-N 0 3 449.600 0.891 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001555527750 1072795909 /nfs/dbraw/zinc/79/59/09/1072795909.db2.gz RWYRYEDVFVOSFP-SFHVURJKSA-N 0 3 449.600 0.891 20 0 ICADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 ZINC001555528542 1072796989 /nfs/dbraw/zinc/79/69/89/1072796989.db2.gz VOSPMVFYLDMDAA-GOSISDBHSA-N 0 3 430.557 0.867 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 ZINC001555528543 1072796706 /nfs/dbraw/zinc/79/67/06/1072796706.db2.gz VOSPMVFYLDMDAA-SFHVURJKSA-N 0 3 430.557 0.867 20 0 ICADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001555528627 1072796874 /nfs/dbraw/zinc/79/68/74/1072796874.db2.gz VXVKLRBUUYKBCD-UHFFFAOYSA-N 0 3 447.584 0.395 20 0 ICADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001555528806 1072796935 /nfs/dbraw/zinc/79/69/35/1072796935.db2.gz CCOKZLPMKBOJSH-UHFFFAOYSA-N 0 3 427.553 0.949 20 0 ICADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 ZINC001555528944 1072796901 /nfs/dbraw/zinc/79/69/01/1072796901.db2.gz JHDLFQFEOIHLAQ-UHFFFAOYSA-N 0 3 435.554 0.174 20 0 ICADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001555528964 1072796738 /nfs/dbraw/zinc/79/67/38/1072796738.db2.gz DLHGAIHGAMQDKQ-GOSISDBHSA-N 0 3 428.541 0.398 20 0 ICADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001555528967 1072796796 /nfs/dbraw/zinc/79/67/96/1072796796.db2.gz DLHGAIHGAMQDKQ-SFHVURJKSA-N 0 3 428.541 0.398 20 0 ICADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 ZINC001555529148 1072796849 /nfs/dbraw/zinc/79/68/49/1072796849.db2.gz KUTLTCLLCCNERT-UHFFFAOYSA-N 0 3 435.554 0.126 20 0 ICADHN COCCN(C)CCn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001555529470 1072797049 /nfs/dbraw/zinc/79/70/49/1072797049.db2.gz MJXLBJSPPMPWMY-NRFANRHFSA-N 0 3 435.573 0.869 20 0 ICADHN COCCN(C)CCn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001555529471 1072796680 /nfs/dbraw/zinc/79/66/80/1072796680.db2.gz MJXLBJSPPMPWMY-OAQYLSRUSA-N 0 3 435.573 0.869 20 0 ICADHN COCCN(C)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001555529522 1072797158 /nfs/dbraw/zinc/79/71/58/1072797158.db2.gz PAHGYYBSTASQGW-IBGZPJMESA-N 0 3 427.553 0.855 20 0 ICADHN COCCN(C)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001555529523 1072796765 /nfs/dbraw/zinc/79/67/65/1072796765.db2.gz PAHGYYBSTASQGW-LJQANCHMSA-N 0 3 427.553 0.855 20 0 ICADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001555529621 1072797200 /nfs/dbraw/zinc/79/72/00/1072797200.db2.gz NLXPYJKQDHCRMX-GOSISDBHSA-N 0 3 428.541 0.398 20 0 ICADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001555529622 1072797509 /nfs/dbraw/zinc/79/75/09/1072797509.db2.gz NLXPYJKQDHCRMX-SFHVURJKSA-N 0 3 428.541 0.398 20 0 ICADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001555530093 1072797667 /nfs/dbraw/zinc/79/76/67/1072797667.db2.gz WIXCKMUMQKGEDJ-UHFFFAOYSA-N 0 3 427.553 0.949 20 0 ICADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001555530107 1072797647 /nfs/dbraw/zinc/79/76/47/1072797647.db2.gz WWPFCIGTPSFIDU-MSOLQXFVSA-N 0 3 429.525 0.777 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001555530282 1072797816 /nfs/dbraw/zinc/79/78/16/1072797816.db2.gz BRLXFSQYBXERIN-OAHLLOKOSA-N 0 3 435.529 0.228 20 0 ICADHN COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001555530648 1072797741 /nfs/dbraw/zinc/79/77/41/1072797741.db2.gz KLDGMLGITZNWNK-QGZVFWFLSA-N 0 3 432.529 0.295 20 0 ICADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001555530877 1072797529 /nfs/dbraw/zinc/79/75/29/1072797529.db2.gz OWNQHCPOAKMKJD-GOSISDBHSA-N 0 3 426.587 0.725 20 0 ICADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001555530878 1072797775 /nfs/dbraw/zinc/79/77/75/1072797775.db2.gz OWNQHCPOAKMKJD-SFHVURJKSA-N 0 3 426.587 0.725 20 0 ICADHN COCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001555564001 1072800003 /nfs/dbraw/zinc/80/00/03/1072800003.db2.gz CDFZJSXZWYAOMY-APWZRJJASA-N 0 3 428.541 0.760 20 0 ICADHN COCCn1c(-c2cnccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001555564002 1072799960 /nfs/dbraw/zinc/79/99/60/1072799960.db2.gz CDFZJSXZWYAOMY-LPHOPBHVSA-N 0 3 428.541 0.760 20 0 ICADHN COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001555564003 1072799822 /nfs/dbraw/zinc/79/98/22/1072799822.db2.gz CDFZJSXZWYAOMY-QFBILLFUSA-N 0 3 428.541 0.760 20 0 ICADHN COCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001555564004 1072799868 /nfs/dbraw/zinc/79/98/68/1072799868.db2.gz CDFZJSXZWYAOMY-VQIMIIECSA-N 0 3 428.541 0.760 20 0 ICADHN COCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)CC1 ZINC001555578559 1072809568 /nfs/dbraw/zinc/80/95/68/1072809568.db2.gz XRGXNIQVHVSHBT-UHFFFAOYSA-N 0 3 428.541 0.790 20 0 ICADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)C1 ZINC001555600485 1072824244 /nfs/dbraw/zinc/82/42/44/1072824244.db2.gz XJMIASTVRMYLFS-MSOLQXFVSA-N 0 3 449.600 0.880 20 0 ICADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)C1 ZINC001555600486 1072824152 /nfs/dbraw/zinc/82/41/52/1072824152.db2.gz XJMIASTVRMYLFS-QZTJIDSGSA-N 0 3 449.600 0.880 20 0 ICADHN COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)C1 ZINC001555600487 1072824260 /nfs/dbraw/zinc/82/42/60/1072824260.db2.gz XJMIASTVRMYLFS-ROUUACIJSA-N 0 3 449.600 0.880 20 0 ICADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)C1 ZINC001555600488 1072824182 /nfs/dbraw/zinc/82/41/82/1072824182.db2.gz XJMIASTVRMYLFS-ZWKOTPCHSA-N 0 3 449.600 0.880 20 0 ICADHN COCCNC(=O)CN1CCN(c2nnc(C)n2CCN2CCc3ccccc3C2)CC1 ZINC001555609013 1072826677 /nfs/dbraw/zinc/82/66/77/1072826677.db2.gz CNGBSTSWLPLABQ-UHFFFAOYSA-N 0 3 441.580 0.529 20 0 ICADHN COCCO[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(=O)N(C)C ZINC001555669422 1072838613 /nfs/dbraw/zinc/83/86/13/1072838613.db2.gz SUGIZAIZLGGASI-KRWDZBQOSA-N 0 3 438.573 0.639 20 0 ICADHN COCCO[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(=O)N(C)C ZINC001555669423 1072838457 /nfs/dbraw/zinc/83/84/57/1072838457.db2.gz SUGIZAIZLGGASI-QGZVFWFLSA-N 0 3 438.573 0.639 20 0 ICADHN COCCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001555703553 1072848382 /nfs/dbraw/zinc/84/83/82/1072848382.db2.gz LTXNXMKJUWFCDC-MSOLQXFVSA-N 0 3 449.600 0.497 20 0 ICADHN COCCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001555703554 1072848472 /nfs/dbraw/zinc/84/84/72/1072848472.db2.gz LTXNXMKJUWFCDC-QZTJIDSGSA-N 0 3 449.600 0.497 20 0 ICADHN COCCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001555703555 1072848114 /nfs/dbraw/zinc/84/81/14/1072848114.db2.gz LTXNXMKJUWFCDC-ROUUACIJSA-N 0 3 449.600 0.497 20 0 ICADHN COCCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001555703556 1072848229 /nfs/dbraw/zinc/84/82/29/1072848229.db2.gz LTXNXMKJUWFCDC-ZWKOTPCHSA-N 0 3 449.600 0.497 20 0 ICADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)N(C)C ZINC001555753070 1072860847 /nfs/dbraw/zinc/86/08/47/1072860847.db2.gz IUYSFJPKCQMFSD-AOIWGVFYSA-N 0 3 436.557 0.249 20 0 ICADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)N(C)C ZINC001555753071 1072860721 /nfs/dbraw/zinc/86/07/21/1072860721.db2.gz IUYSFJPKCQMFSD-LNLFQRSKSA-N 0 3 436.557 0.249 20 0 ICADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCCN1CCCO ZINC001555756294 1072862426 /nfs/dbraw/zinc/86/24/26/1072862426.db2.gz GKRNZXXNRZPWJI-BZSNNMDCSA-N 0 3 441.598 0.418 20 0 ICADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCCN1CCCO ZINC001555756295 1072862224 /nfs/dbraw/zinc/86/22/24/1072862224.db2.gz GKRNZXXNRZPWJI-KSZLIROESA-N 0 3 441.598 0.418 20 0 ICADHN CON(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001555764008 1072863699 /nfs/dbraw/zinc/86/36/99/1072863699.db2.gz AFLVNAOEIHEABO-HNNXBMFYSA-N 0 3 433.513 0.946 20 0 ICADHN CON(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001555764009 1072863933 /nfs/dbraw/zinc/86/39/33/1072863933.db2.gz AFLVNAOEIHEABO-OAHLLOKOSA-N 0 3 433.513 0.946 20 0 ICADHN CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 ZINC001555765920 1072864409 /nfs/dbraw/zinc/86/44/09/1072864409.db2.gz IRLOFBBXHFKNLA-CVEARBPZSA-N 0 3 428.559 0.626 20 0 ICADHN CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 ZINC001555765922 1072864298 /nfs/dbraw/zinc/86/42/98/1072864298.db2.gz IRLOFBBXHFKNLA-HOTGVXAUSA-N 0 3 428.559 0.626 20 0 ICADHN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 ZINC001555765925 1072864332 /nfs/dbraw/zinc/86/43/32/1072864332.db2.gz IRLOFBBXHFKNLA-HZPDHXFCSA-N 0 3 428.559 0.626 20 0 ICADHN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 ZINC001555765926 1072864204 /nfs/dbraw/zinc/86/42/04/1072864204.db2.gz IRLOFBBXHFKNLA-JKSUJKDBSA-N 0 3 428.559 0.626 20 0 ICADHN CO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001555772866 1072864673 /nfs/dbraw/zinc/86/46/73/1072864673.db2.gz CIWVKYBTCZZNGG-DLBZAZTESA-N 0 3 440.614 0.431 20 0 ICADHN CO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001555772867 1072864847 /nfs/dbraw/zinc/86/48/47/1072864847.db2.gz CIWVKYBTCZZNGG-IAGOWNOFSA-N 0 3 440.614 0.431 20 0 ICADHN CS(=O)(=O)CCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555804729 1072877461 /nfs/dbraw/zinc/87/74/61/1072877461.db2.gz CDPFOHUIDMUZIJ-UHFFFAOYSA-N 0 3 438.598 0.410 20 0 ICADHN CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2)CC1 ZINC001555808067 1072881012 /nfs/dbraw/zinc/88/10/12/1072881012.db2.gz OHTVPKAORPXVMP-UHFFFAOYSA-N 0 3 438.598 0.900 20 0 ICADHN CS(=O)(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC2)CC1 ZINC001555809408 1072882412 /nfs/dbraw/zinc/88/24/12/1072882412.db2.gz UBEQZZRRXHWGCF-UHFFFAOYSA-N 0 3 439.586 0.082 20 0 ICADHN CS(=O)(=O)N1CCCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)CC1 ZINC001555810518 1072884375 /nfs/dbraw/zinc/88/43/75/1072884375.db2.gz KXVXWWBMKUYUKL-UHFFFAOYSA-N 0 3 445.593 0.998 20 0 ICADHN CS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(CC2CC2)CC1 ZINC001555817295 1072892657 /nfs/dbraw/zinc/89/26/57/1072892657.db2.gz NTOVBAQNGABIAI-UHFFFAOYSA-N 0 3 433.582 0.735 20 0 ICADHN CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555817902 1072893514 /nfs/dbraw/zinc/89/35/14/1072893514.db2.gz LILQYCSQOWWYQD-QGZVFWFLSA-N 0 3 442.586 0.370 20 0 ICADHN CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001555819012 1072895382 /nfs/dbraw/zinc/89/53/82/1072895382.db2.gz IWJYWZYROBMEJP-UHFFFAOYSA-N 0 3 426.587 0.328 20 0 ICADHN CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001555820148 1072896919 /nfs/dbraw/zinc/89/69/19/1072896919.db2.gz YJMMFIDOQBTFQX-UHFFFAOYSA-N 0 3 437.570 0.371 20 0 ICADHN CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555934593 1072902056 /nfs/dbraw/zinc/90/20/56/1072902056.db2.gz KDPBRGCOSLHGGH-CVEARBPZSA-N 0 3 435.598 0.725 20 0 ICADHN CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555934594 1072902020 /nfs/dbraw/zinc/90/20/20/1072902020.db2.gz KDPBRGCOSLHGGH-HOTGVXAUSA-N 0 3 435.598 0.725 20 0 ICADHN CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555934595 1072902356 /nfs/dbraw/zinc/90/23/56/1072902356.db2.gz KDPBRGCOSLHGGH-HZPDHXFCSA-N 0 3 435.598 0.725 20 0 ICADHN CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555934596 1072902416 /nfs/dbraw/zinc/90/24/16/1072902416.db2.gz KDPBRGCOSLHGGH-JKSUJKDBSA-N 0 3 435.598 0.725 20 0 ICADHN CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555937552 1072902521 /nfs/dbraw/zinc/90/25/21/1072902521.db2.gz YLZYCKIRNOVELT-UHFFFAOYSA-N 0 3 449.625 0.898 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C ZINC001555950478 1072903932 /nfs/dbraw/zinc/90/39/32/1072903932.db2.gz IEVVPFFUEZPUFB-QGZVFWFLSA-N 0 3 447.584 0.682 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(CC2CC2)n1CCCNS(C)(=O)=O ZINC001555950563 1072904062 /nfs/dbraw/zinc/90/40/62/1072904062.db2.gz KSDTVFLLXSQGDU-MRXNPFEDSA-N 0 3 440.614 0.859 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C2CCC2)n1CCNS(C)(=O)=O ZINC001555950691 1072903975 /nfs/dbraw/zinc/90/39/75/1072903975.db2.gz QXXKLWNMZFBEJK-OAHLLOKOSA-N 0 3 426.587 0.784 20 0 ICADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C2CC2)n1CCOCCS(C)(=O)=O ZINC001555951141 1072903962 /nfs/dbraw/zinc/90/39/62/1072903962.db2.gz VYWDWEADFBJGFK-MRXNPFEDSA-N 0 3 441.598 0.906 20 0 ICADHN C[C@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)CCN1S(C)(=O)=O ZINC001555956638 1072904809 /nfs/dbraw/zinc/90/48/09/1072904809.db2.gz OZFWRUZOSCHCTL-INIZCTEOSA-N 0 3 439.630 0.652 20 0 ICADHN NC(=O)COC1CCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)CC1 ZINC001556008655 1072915101 /nfs/dbraw/zinc/91/51/01/1072915101.db2.gz PVYGQRJQJLHKIO-UHFFFAOYSA-N 0 3 425.537 0.997 20 0 ICADHN O=C(c1nnc(N2CCN(C3CCOCC3)CC2)n1CCOCCCO)N1CCCC1 ZINC001556011552 1072915966 /nfs/dbraw/zinc/91/59/66/1072915966.db2.gz QBFAMEXNSMRNIV-UHFFFAOYSA-N 0 3 436.557 0.214 20 0 ICADHN O=C(Cn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1)NCC(F)F ZINC001556016427 1072918626 /nfs/dbraw/zinc/91/86/26/1072918626.db2.gz UWJDVFCFFSSXOX-UHFFFAOYSA-N 0 3 436.467 0.417 20 0 ICADHN O=S1(=O)CC[C@H](c2nnc(N3CCOCC3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001556033956 1072924697 /nfs/dbraw/zinc/92/46/97/1072924697.db2.gz LNBUTZXRWPUJHQ-DLBZAZTESA-N 0 3 427.571 0.254 20 0 ICADHN O=S1(=O)CC[C@@H](c2nnc(N3CCOCC3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001556033957 1072924778 /nfs/dbraw/zinc/92/47/78/1072924778.db2.gz LNBUTZXRWPUJHQ-IAGOWNOFSA-N 0 3 427.571 0.254 20 0 ICADHN O=S1(=O)CC[C@H](c2nnc(N3CCOCC3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001556033958 1072924743 /nfs/dbraw/zinc/92/47/43/1072924743.db2.gz LNBUTZXRWPUJHQ-IRXDYDNUSA-N 0 3 427.571 0.254 20 0 ICADHN O=S1(=O)CC[C@@H](c2nnc(N3CCOCC3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001556033959 1072924808 /nfs/dbraw/zinc/92/48/08/1072924808.db2.gz LNBUTZXRWPUJHQ-SJORKVTESA-N 0 3 427.571 0.254 20 0 ICADHN O=S1(=O)CC[C@H](c2nnc(N3CCSCC3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001556034174 1072924753 /nfs/dbraw/zinc/92/47/53/1072924753.db2.gz PSNMVOHTEUTKDY-DLBZAZTESA-N 0 3 443.639 0.970 20 0 ICADHN O=S1(=O)CC[C@@H](c2nnc(N3CCSCC3)n2CCCCN2CCC[C@@H]2CO)C1 ZINC001556034175 1072924793 /nfs/dbraw/zinc/92/47/93/1072924793.db2.gz PSNMVOHTEUTKDY-IAGOWNOFSA-N 0 3 443.639 0.970 20 0 ICADHN O=S1(=O)CC[C@H](c2nnc(N3CCSCC3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001556034176 1072924760 /nfs/dbraw/zinc/92/47/60/1072924760.db2.gz PSNMVOHTEUTKDY-IRXDYDNUSA-N 0 3 443.639 0.970 20 0 ICADHN O=S1(=O)CC[C@@H](c2nnc(N3CCSCC3)n2CCCCN2CCC[C@H]2CO)C1 ZINC001556034177 1072924719 /nfs/dbraw/zinc/92/47/19/1072924719.db2.gz PSNMVOHTEUTKDY-SJORKVTESA-N 0 3 443.639 0.970 20 0 ICADHN OCCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001556046778 1072927134 /nfs/dbraw/zinc/92/71/34/1072927134.db2.gz ZXSMXIFHGMTJOM-UHFFFAOYSA-N 0 3 431.541 0.683 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(CCO)CCN(C)CC1 ZINC001556070048 1072928610 /nfs/dbraw/zinc/92/86/10/1072928610.db2.gz 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CN1CC[C@@](O)(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 ZINC001556106952 1072930528 /nfs/dbraw/zinc/93/05/28/1072930528.db2.gz YUJXZBAJUSLUOF-RDTXWAMCSA-N 0 3 431.580 0.470 20 0 ICADHN Cn1cc([C@@H]2[C@@H](C(=O)Nc3cccc4c3CCN(CC(C)(C)O)C4)[C@@H](O)C(=O)N2C)cn1 ZINC001556161476 1072933051 /nfs/dbraw/zinc/93/30/51/1072933051.db2.gz NEOAIRLACOSWQG-VAMGGRTRSA-N 0 3 441.532 0.678 20 0 ICADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001556200829 1072936665 /nfs/dbraw/zinc/93/66/65/1072936665.db2.gz GNQCCTFQXXTOQR-GOSISDBHSA-N 0 3 432.546 0.954 20 0 ICADHN Nc1ccccc1S(=O)(=O)NCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001556200830 1072936654 /nfs/dbraw/zinc/93/66/54/1072936654.db2.gz GNQCCTFQXXTOQR-SFHVURJKSA-N 0 3 432.546 0.954 20 0 ICADHN CN1CCN(CCNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1(C)C ZINC001556353286 1072944641 /nfs/dbraw/zinc/94/46/41/1072944641.db2.gz RGVKGLNBZZEYSZ-UHFFFAOYSA-N 0 3 431.599 0.665 20 0 ICADHN Cn1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001556353362 1072944661 /nfs/dbraw/zinc/94/46/61/1072944661.db2.gz TZNJJTRTBCOKDC-UHFFFAOYSA-N 0 3 438.532 0.972 20 0 ICADHN COC[C@]1(C(=O)NCCN2CCN(C)C(C)(C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001556353452 1072944607 /nfs/dbraw/zinc/94/46/07/1072944607.db2.gz WQVDFDBLVLOQJK-NRFANRHFSA-N 0 3 428.574 0.781 20 0 ICADHN COC[C@@]1(C(=O)NCCN2CCN(C)C(C)(C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001556353453 1072945079 /nfs/dbraw/zinc/94/50/79/1072945079.db2.gz WQVDFDBLVLOQJK-OAQYLSRUSA-N 0 3 428.574 0.781 20 0 ICADHN CC1(C)CCCN(CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC001556385794 1072949112 /nfs/dbraw/zinc/94/91/12/1072949112.db2.gz YBCHUNQWPGPLCU-UHFFFAOYSA-N 0 3 430.958 0.955 20 0 ICADHN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC001556499999 1072956243 /nfs/dbraw/zinc/95/62/43/1072956243.db2.gz TYTDYJRUSMVLBN-CYBMUJFWSA-N 0 3 428.942 0.850 20 0 ICADHN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC001556500000 1072956207 /nfs/dbraw/zinc/95/62/07/1072956207.db2.gz TYTDYJRUSMVLBN-ZDUSSCGKSA-N 0 3 428.942 0.850 20 0 ICADHN COc1cc2ncn(CCCC(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502017 1072956170 /nfs/dbraw/zinc/95/61/70/1072956170.db2.gz CHVGFVHUWIWQLL-CVEARBPZSA-N 0 3 430.505 0.861 20 0 ICADHN COc1cc2ncn(CCCC(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502018 1072956254 /nfs/dbraw/zinc/95/62/54/1072956254.db2.gz CHVGFVHUWIWQLL-HOTGVXAUSA-N 0 3 430.505 0.861 20 0 ICADHN COc1cc2ncn(CCCC(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502019 1072956196 /nfs/dbraw/zinc/95/61/96/1072956196.db2.gz CHVGFVHUWIWQLL-HZPDHXFCSA-N 0 3 430.505 0.861 20 0 ICADHN COc1cc2ncn(CCCC(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)c(=O)c2cc1OC ZINC001556502020 1072956718 /nfs/dbraw/zinc/95/67/18/1072956718.db2.gz CHVGFVHUWIWQLL-JKSUJKDBSA-N 0 3 430.505 0.861 20 0 ICADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001556503024 1072956746 /nfs/dbraw/zinc/95/67/46/1072956746.db2.gz HNCDZUSMCQKURG-FWXGHANASA-N 0 3 429.439 0.640 20 0 ICADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001556503025 1072956672 /nfs/dbraw/zinc/95/66/72/1072956672.db2.gz HNCDZUSMCQKURG-GWNLFYIMSA-N 0 3 429.439 0.640 20 0 ICADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001556503026 1072956617 /nfs/dbraw/zinc/95/66/17/1072956617.db2.gz HNCDZUSMCQKURG-TWHJKIGZSA-N 0 3 429.439 0.640 20 0 ICADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001556503027 1072956682 /nfs/dbraw/zinc/95/66/82/1072956682.db2.gz HNCDZUSMCQKURG-XMEMRUQMSA-N 0 3 429.439 0.640 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)CC2)c1 ZINC001556503078 1072956757 /nfs/dbraw/zinc/95/67/57/1072956757.db2.gz JEGLPIDGCQWWBE-PMACEKPBSA-N 0 3 449.573 0.957 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)CC2)c1 ZINC001556503079 1072956639 /nfs/dbraw/zinc/95/66/39/1072956639.db2.gz JEGLPIDGCQWWBE-UXHICEINSA-N 0 3 449.573 0.957 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)CC2)c1 ZINC001556503080 1072956564 /nfs/dbraw/zinc/95/65/64/1072956564.db2.gz JEGLPIDGCQWWBE-VQTJNVASSA-N 0 3 449.573 0.957 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)CC2)c1 ZINC001556503081 1072956733 /nfs/dbraw/zinc/95/67/33/1072956733.db2.gz JEGLPIDGCQWWBE-WOJBJXKFSA-N 0 3 449.573 0.957 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CCCC1 ZINC001556503144 1072956703 /nfs/dbraw/zinc/95/67/03/1072956703.db2.gz KQAYLWBWPOIFEM-CVEARBPZSA-N 0 3 426.539 0.550 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CCCC1 ZINC001556503145 1072956592 /nfs/dbraw/zinc/95/65/92/1072956592.db2.gz KQAYLWBWPOIFEM-HOTGVXAUSA-N 0 3 426.539 0.550 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CCCC1 ZINC001556503146 1072956656 /nfs/dbraw/zinc/95/66/56/1072956656.db2.gz KQAYLWBWPOIFEM-HZPDHXFCSA-N 0 3 426.539 0.550 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CCCC1 ZINC001556503147 1072956776 /nfs/dbraw/zinc/95/67/76/1072956776.db2.gz KQAYLWBWPOIFEM-JKSUJKDBSA-N 0 3 426.539 0.550 20 0 ICADHN CC(C)(C)OC(=O)NCCCn1cc(C(=O)NCC(=O)NCCN2CCCCC2)nn1 ZINC001556608156 1072969024 /nfs/dbraw/zinc/96/90/24/1072969024.db2.gz BQZILHHQLPOTEQ-UHFFFAOYSA-N 0 3 437.545 0.525 20 0 ICADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCCN1CCCCC1 ZINC001556608157 1072968943 /nfs/dbraw/zinc/96/89/43/1072968943.db2.gz BRNJFLJSANCJGX-SFHVURJKSA-N 0 3 441.573 0.370 20 0 ICADHN CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001556608190 1072969077 /nfs/dbraw/zinc/96/90/77/1072969077.db2.gz CTYXGERRFKRFKJ-NRFANRHFSA-N 0 3 442.532 0.680 20 0 ICADHN CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001556608191 1072968965 /nfs/dbraw/zinc/96/89/65/1072968965.db2.gz CTYXGERRFKRFKJ-OAQYLSRUSA-N 0 3 442.532 0.680 20 0 ICADHN O=C(CNC(=O)c1cc(Br)ccc1-n1cnnn1)NCCN1CCCCC1 ZINC001556608252 1072968997 /nfs/dbraw/zinc/96/89/97/1072968997.db2.gz GODBUTDACXHWFR-UHFFFAOYSA-N 0 3 436.314 0.757 20 0 ICADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC001556608321 1072969033 /nfs/dbraw/zinc/96/90/33/1072969033.db2.gz JFCFDOBTWFYQFA-JOCHJYFZSA-N 0 3 445.520 0.181 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC001556608322 1072969008 /nfs/dbraw/zinc/96/90/08/1072969008.db2.gz JFCFDOBTWFYQFA-QFIPXVFZSA-N 0 3 445.520 0.181 20 0 ICADHN C[C@]1(C(=O)NCC(=O)NCCN2CCCCC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001556608492 1072969048 /nfs/dbraw/zinc/96/90/48/1072969048.db2.gz QRKAMIHTFFYBQI-AUSIDOKSSA-N 0 3 446.548 0.867 20 0 ICADHN C[C@@]1(C(=O)NCC(=O)NCCN2CCCCC2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001556608493 1072968984 /nfs/dbraw/zinc/96/89/84/1072968984.db2.gz QRKAMIHTFFYBQI-CVDCTZTESA-N 0 3 446.548 0.867 20 0 ICADHN C[C@]1(C(=O)NCC(=O)NCCN2CCCCC2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001556608494 1072968959 /nfs/dbraw/zinc/96/89/59/1072968959.db2.gz QRKAMIHTFFYBQI-WMZHIEFXSA-N 0 3 446.548 0.867 20 0 ICADHN C[C@@]1(C(=O)NCC(=O)NCCN2CCCCC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001556608495 1072969066 /nfs/dbraw/zinc/96/90/66/1072969066.db2.gz QRKAMIHTFFYBQI-XXBNENTESA-N 0 3 446.548 0.867 20 0 ICADHN CN(CC(=O)NCC(=O)NCCN1CCCCC1)C(=O)c1ccc(Br)o1 ZINC001556608506 1072969059 /nfs/dbraw/zinc/96/90/59/1072969059.db2.gz RGGZCQWGBZLLET-UHFFFAOYSA-N 0 3 429.315 0.832 20 0 ICADHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001556608603 1072969494 /nfs/dbraw/zinc/96/94/94/1072969494.db2.gz VYHYIARAHHZKQL-IBGZPJMESA-N 0 3 429.521 0.903 20 0 ICADHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001556608604 1072969477 /nfs/dbraw/zinc/96/94/77/1072969477.db2.gz VYHYIARAHHZKQL-LJQANCHMSA-N 0 3 429.521 0.903 20 0 ICADHN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCC(=O)NCCN1CCCCC1 ZINC001556608666 1072969558 /nfs/dbraw/zinc/96/95/58/1072969558.db2.gz YGBFADBRKWZEFF-UHFFFAOYSA-N 0 3 439.534 0.340 20 0 ICADHN O=C(CNC(=O)c1ccccc1I)N[C@@H]1CCCN(CCCO)C1 ZINC001556662613 1072976590 /nfs/dbraw/zinc/97/65/90/1072976590.db2.gz IISXNZZDFWQCSG-CYBMUJFWSA-N 0 3 445.301 0.984 20 0 ICADHN O=C(CNC(=O)c1ccccc1I)N[C@H]1CCCN(CCCO)C1 ZINC001556662614 1072976612 /nfs/dbraw/zinc/97/66/12/1072976612.db2.gz IISXNZZDFWQCSG-ZDUSSCGKSA-N 0 3 445.301 0.984 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001556663547 1072976699 /nfs/dbraw/zinc/97/66/99/1072976699.db2.gz NJWMEAVBPSBWIN-DLBZAZTESA-N 0 3 426.558 0.855 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001556663548 1072976574 /nfs/dbraw/zinc/97/65/74/1072976574.db2.gz NJWMEAVBPSBWIN-IAGOWNOFSA-N 0 3 426.558 0.855 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001556663549 1072976637 /nfs/dbraw/zinc/97/66/37/1072976637.db2.gz NJWMEAVBPSBWIN-IRXDYDNUSA-N 0 3 426.558 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C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001557162377 1073018820 /nfs/dbraw/zinc/01/88/20/1073018820.db2.gz PCSQMBPMPJNUDX-ZBFHGGJFSA-N 0 3 428.489 0.654 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC001557162434 1073018845 /nfs/dbraw/zinc/01/88/45/1073018845.db2.gz QUKOKAQVAMWELC-HNNXBMFYSA-N 0 3 435.550 0.426 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC001557162435 1073018962 /nfs/dbraw/zinc/01/89/62/1073018962.db2.gz QUKOKAQVAMWELC-OAHLLOKOSA-N 0 3 435.550 0.426 20 0 ICADHN COc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC001557162493 1073019030 /nfs/dbraw/zinc/01/90/30/1073019030.db2.gz SKDXEUCSPQESDV-HNNXBMFYSA-N 0 3 438.550 0.672 20 0 ICADHN COc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC001557162494 1073018999 /nfs/dbraw/zinc/01/89/99/1073018999.db2.gz SKDXEUCSPQESDV-OAHLLOKOSA-N 0 3 438.550 0.672 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC001557162572 1073018747 /nfs/dbraw/zinc/01/87/47/1073018747.db2.gz VINZCTFHQITADK-JTQLQIEISA-N 0 3 425.283 0.972 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC001557162573 1073018937 /nfs/dbraw/zinc/01/89/37/1073018937.db2.gz VINZCTFHQITADK-SNVBAGLBSA-N 0 3 425.283 0.972 20 0 ICADHN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)cc(C3CC3)nc21 ZINC001557162597 1073018949 /nfs/dbraw/zinc/01/89/49/1073018949.db2.gz WDLQBNJMJFVBDA-CYBMUJFWSA-N 0 3 442.520 0.977 20 0 ICADHN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)cc(C3CC3)nc21 ZINC001557162598 1073018870 /nfs/dbraw/zinc/01/88/70/1073018870.db2.gz WDLQBNJMJFVBDA-ZDUSSCGKSA-N 0 3 442.520 0.977 20 0 ICADHN CN1CCC(N(CCO)C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001557253787 1073023924 /nfs/dbraw/zinc/02/39/24/1073023924.db2.gz CBGCJNALQHZHTK-KRWDZBQOSA-N 0 3 426.558 0.665 20 0 ICADHN CN1CCC(N(CCO)C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001557253788 1073023820 /nfs/dbraw/zinc/02/38/20/1073023820.db2.gz CBGCJNALQHZHTK-QGZVFWFLSA-N 0 3 426.558 0.665 20 0 ICADHN CN1CCC(N(CCO)C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC001557254518 1073023699 /nfs/dbraw/zinc/02/36/99/1073023699.db2.gz KPMVQLRABOIUFF-GOSISDBHSA-N 0 3 425.551 0.673 20 0 ICADHN CN1CCC(N(CCO)C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC001557254521 1073023909 /nfs/dbraw/zinc/02/39/09/1073023909.db2.gz KPMVQLRABOIUFF-SFHVURJKSA-N 0 3 425.551 0.673 20 0 ICADHN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(CCO)C1CCN(C)CC1 ZINC001557255573 1073023951 /nfs/dbraw/zinc/02/39/51/1073023951.db2.gz XLENWUFKMPXLHN-GOSISDBHSA-N 0 3 428.574 0.957 20 0 ICADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(CCO)C1CCN(C)CC1 ZINC001557255576 1073023747 /nfs/dbraw/zinc/02/37/47/1073023747.db2.gz XLENWUFKMPXLHN-SFHVURJKSA-N 0 3 428.574 0.957 20 0 ICADHN CN1CCC(N(CCO)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001557255641 1073023873 /nfs/dbraw/zinc/02/38/73/1073023873.db2.gz YPPFASDGCQCVRN-UHFFFAOYSA-N 0 3 441.550 0.431 20 0 ICADHN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001557296032 1073026056 /nfs/dbraw/zinc/02/60/56/1073026056.db2.gz DVZPZGUIUZDQAA-JKSUJKDBSA-N 0 3 449.577 0.517 20 0 ICADHN O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001557296078 1073026134 /nfs/dbraw/zinc/02/61/34/1073026134.db2.gz GTDLRIQNFAQVMT-LSDHHAIUSA-N 0 3 428.942 0.413 20 0 ICADHN O=C(CNC(=O)c1ccccc1I)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001557296252 1073026022 /nfs/dbraw/zinc/02/60/22/1073026022.db2.gz JHCGLQJOKKTHBL-NWDGAFQWSA-N 0 3 429.258 0.298 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N3CCN(C(=O)C(=O)OC(C)(C)C)CC3)ccc2[nH]c1=O ZINC001557311330 1073028442 /nfs/dbraw/zinc/02/84/42/1073028442.db2.gz OTVJBCNBAVLKRY-UHFFFAOYSA-N 0 3 445.520 0.930 20 0 ICADHN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCN(CCN(C)C)C(=O)C1)CC2 ZINC001557339612 1073032293 /nfs/dbraw/zinc/03/22/93/1073032293.db2.gz BYXRFPJEQLWEPH-UHFFFAOYSA-N 0 3 446.548 0.601 20 0 ICADHN CN(C)CCN1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1=O ZINC001557339640 1073032407 /nfs/dbraw/zinc/03/24/07/1073032407.db2.gz CIVXVLDZCCSAHY-UHFFFAOYSA-N 0 3 435.468 0.798 20 0 ICADHN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001557339654 1073032369 /nfs/dbraw/zinc/03/23/69/1073032369.db2.gz CNKWVMCWNVESDU-GOSISDBHSA-N 0 3 434.562 0.833 20 0 ICADHN CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001557339658 1073032537 /nfs/dbraw/zinc/03/25/37/1073032537.db2.gz CNKWVMCWNVESDU-SFHVURJKSA-N 0 3 434.562 0.833 20 0 ICADHN COc1cc(C(=O)NCC(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1OC(F)F ZINC001557340475 1073032556 /nfs/dbraw/zinc/03/25/56/1073032556.db2.gz LADYMVCMXRQOAG-UHFFFAOYSA-N 0 3 428.436 0.259 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC001557341109 1073032493 /nfs/dbraw/zinc/03/24/93/1073032493.db2.gz UBVJVISYPOXHHT-INIZCTEOSA-N 0 3 439.557 0.125 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC001557341110 1073032474 /nfs/dbraw/zinc/03/24/74/1073032474.db2.gz UBVJVISYPOXHHT-MRXNPFEDSA-N 0 3 439.557 0.125 20 0 ICADHN Cc1c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc(Br)cc1S(N)(=O)=O ZINC001557341349 1073032314 /nfs/dbraw/zinc/03/23/14/1073032314.db2.gz YQKGFBVMLCIDOP-UHFFFAOYSA-N 0 3 447.355 0.251 20 0 ICADHN CN1CCN(CCCOc2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2)CC1 ZINC001557355284 1073033239 /nfs/dbraw/zinc/03/32/39/1073033239.db2.gz DQCMEBVPWQUWNC-KRWDZBQOSA-N 0 3 439.582 0.557 20 0 ICADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2)CC1 ZINC001557355288 1073033422 /nfs/dbraw/zinc/03/34/22/1073033422.db2.gz DQCMEBVPWQUWNC-QGZVFWFLSA-N 0 3 439.582 0.557 20 0 ICADHN Cc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC001557396683 1073037933 /nfs/dbraw/zinc/03/79/33/1073037933.db2.gz SEHJALVUCXUYGI-UHFFFAOYSA-N 0 3 436.516 0.978 20 0 ICADHN O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001557396817 1073037995 /nfs/dbraw/zinc/03/79/95/1073037995.db2.gz UPIBVVQONOWJKR-MOPGFXCFSA-N 0 3 434.562 0.445 20 0 ICADHN O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001557396818 1073037961 /nfs/dbraw/zinc/03/79/61/1073037961.db2.gz UPIBVVQONOWJKR-OALUTQOASA-N 0 3 434.562 0.445 20 0 ICADHN O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001557396819 1073038009 /nfs/dbraw/zinc/03/80/09/1073038009.db2.gz UPIBVVQONOWJKR-RBUKOAKNSA-N 0 3 434.562 0.445 20 0 ICADHN O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001557396820 1073037948 /nfs/dbraw/zinc/03/79/48/1073037948.db2.gz UPIBVVQONOWJKR-RTBURBONSA-N 0 3 434.562 0.445 20 0 ICADHN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001557433114 1073042038 /nfs/dbraw/zinc/04/20/38/1073042038.db2.gz GGTXCTVTRKWANK-UHFFFAOYSA-N 0 3 434.566 0.921 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001557433193 1073042103 /nfs/dbraw/zinc/04/21/03/1073042103.db2.gz HJOVAUDNZPLYJD-GOSISDBHSA-N 0 3 444.536 0.015 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001557433198 1073041858 /nfs/dbraw/zinc/04/18/58/1073041858.db2.gz HJOVAUDNZPLYJD-SFHVURJKSA-N 0 3 444.536 0.015 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC001557566869 1073061253 /nfs/dbraw/zinc/06/12/53/1073061253.db2.gz AEBKYKJPCPMZRK-KRWDZBQOSA-N 0 3 440.566 0.940 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC001557566869 1073061243 /nfs/dbraw/zinc/06/12/43/1073061243.db2.gz AEBKYKJPCPMZRK-KRWDZBQOSA-N 0 3 440.566 0.940 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC001557566892 1073061597 /nfs/dbraw/zinc/06/15/97/1073061597.db2.gz AEBKYKJPCPMZRK-QGZVFWFLSA-N 0 3 440.566 0.940 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC001557566892 1073061588 /nfs/dbraw/zinc/06/15/88/1073061588.db2.gz AEBKYKJPCPMZRK-QGZVFWFLSA-N 0 3 440.566 0.940 20 0 ICADHN CN(C)CCn1nccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001557593674 1073066264 /nfs/dbraw/zinc/06/62/64/1073066264.db2.gz KHDJXILSEHMTDW-UHFFFAOYSA-N 0 3 434.566 0.181 20 0 ICADHN CN(CCO)CCN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC001557695100 1073074523 /nfs/dbraw/zinc/07/45/23/1073074523.db2.gz QEKFRSDYSRFZSQ-HNNXBMFYSA-N 0 3 425.507 0.006 20 0 ICADHN CN(CCO)CCN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC001557695101 1073074640 /nfs/dbraw/zinc/07/46/40/1073074640.db2.gz QEKFRSDYSRFZSQ-OAHLLOKOSA-N 0 3 425.507 0.006 20 0 ICADHN CN(CCO)CCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC001557696590 1073074801 /nfs/dbraw/zinc/07/48/01/1073074801.db2.gz ZVEOUFLGXQWNLF-UHFFFAOYSA-N 0 3 434.356 0.886 20 0 ICADHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785117 1073083501 /nfs/dbraw/zinc/08/35/01/1073083501.db2.gz DOIHCFZFFMWRJG-KBXCAEBGSA-N 0 3 433.534 0.419 20 0 ICADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785120 1073083645 /nfs/dbraw/zinc/08/36/45/1073083645.db2.gz DOIHCFZFFMWRJG-KDOFPFPSSA-N 0 3 433.534 0.419 20 0 ICADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785123 1073083730 /nfs/dbraw/zinc/08/37/30/1073083730.db2.gz DOIHCFZFFMWRJG-KSSFIOAISA-N 0 3 433.534 0.419 20 0 ICADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001557785125 1073083539 /nfs/dbraw/zinc/08/35/39/1073083539.db2.gz DOIHCFZFFMWRJG-RDTXWAMCSA-N 0 3 433.534 0.419 20 0 ICADHN CCn1c(CCC(=O)NCCN2CC[C@@H](O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001557865563 1073092128 /nfs/dbraw/zinc/09/21/28/1073092128.db2.gz MLLJZIQPSLZWEO-OAHLLOKOSA-N 0 3 437.566 0.422 20 0 ICADHN COc1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557882659 1073093887 /nfs/dbraw/zinc/09/38/87/1073093887.db2.gz JWRXOJMFSGXHCV-INIZCTEOSA-N 0 3 441.550 0.291 20 0 ICADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC001557882698 1073094003 /nfs/dbraw/zinc/09/40/03/1073094003.db2.gz KOXVYCRVWWUVMZ-ZDUSSCGKSA-N 0 3 433.958 0.840 20 0 ICADHN CN1CCN(c2ccnc(NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903088 1073096649 /nfs/dbraw/zinc/09/66/49/1073096649.db2.gz BYSGATKFKDGWFI-FQEVSTJZSA-N 0 3 430.509 0.388 20 0 ICADHN CN1CCN(c2ccnc(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903089 1073096821 /nfs/dbraw/zinc/09/68/21/1073096821.db2.gz BYSGATKFKDGWFI-HXUWFJFHSA-N 0 3 430.509 0.388 20 0 ICADHN CN1CCN(c2ccnc(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)c2)CC1 ZINC001557903126 1073097396 /nfs/dbraw/zinc/09/73/96/1073097396.db2.gz DPEDBMABHBRCTG-UHFFFAOYSA-N 0 3 438.536 0.691 20 0 ICADHN COc1cc(C(=O)NCC(=O)N2CCC(N3CCN(C)CC3)CC2)cc(OC)c1OC ZINC001557980345 1073106970 /nfs/dbraw/zinc/10/69/70/1073106970.db2.gz DUIIMJCRPNSSOA-UHFFFAOYSA-N 0 3 434.537 0.681 20 0 ICADHN CN1CCN(C2CCN(C(=O)c3cnnn3C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001557982570 1073107481 /nfs/dbraw/zinc/10/74/81/1073107481.db2.gz JMYJGUADNXVQOZ-UHFFFAOYSA-N 0 3 433.557 0.922 20 0 ICADHN COc1c(F)cc(CC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1S(N)(=O)=O ZINC001557983585 1073107334 /nfs/dbraw/zinc/10/73/34/1073107334.db2.gz QMLWIJDNJFVRBC-UHFFFAOYSA-N 0 3 428.530 0.263 20 0 ICADHN COc1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC001557984012 1073107496 /nfs/dbraw/zinc/10/74/96/1073107496.db2.gz VWZCEHYXQOLNAY-UHFFFAOYSA-N 0 3 436.578 0.988 20 0 ICADHN CN1CCN(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001557984021 1073107389 /nfs/dbraw/zinc/10/73/89/1073107389.db2.gz WIEDWHGUUJXXKN-GOSISDBHSA-N 0 3 435.956 0.552 20 0 ICADHN CN1CCN(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001557984022 1073107310 /nfs/dbraw/zinc/10/73/10/1073107310.db2.gz WIEDWHGUUJXXKN-SFHVURJKSA-N 0 3 435.956 0.552 20 0 ICADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cc1 ZINC001558049630 1073116810 /nfs/dbraw/zinc/11/68/10/1073116810.db2.gz KQEVQFYFMIUWHU-MOPGFXCFSA-N 0 3 425.551 0.407 20 0 ICADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)cc1 ZINC001558049632 1073116797 /nfs/dbraw/zinc/11/67/97/1073116797.db2.gz KQEVQFYFMIUWHU-OALUTQOASA-N 0 3 425.551 0.407 20 0 ICADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cc1 ZINC001558049634 1073116845 /nfs/dbraw/zinc/11/68/45/1073116845.db2.gz KQEVQFYFMIUWHU-RBUKOAKNSA-N 0 3 425.551 0.407 20 0 ICADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cc1 ZINC001558049635 1073116786 /nfs/dbraw/zinc/11/67/86/1073116786.db2.gz KQEVQFYFMIUWHU-RTBURBONSA-N 0 3 425.551 0.407 20 0 ICADHN NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001558051194 1073117465 /nfs/dbraw/zinc/11/74/65/1073117465.db2.gz VQKBYJQXCOWGCW-BZSNNMDCSA-N 0 3 436.940 0.808 20 0 ICADHN NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001558051195 1073117318 /nfs/dbraw/zinc/11/73/18/1073117318.db2.gz VQKBYJQXCOWGCW-FGTMMUONSA-N 0 3 436.940 0.808 20 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COCCN(C)CCN1C[C@H](NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993160 1073227943 /nfs/dbraw/zinc/22/79/43/1073227943.db2.gz QPBQPKHVUKDZCY-CRAIPNDOSA-N 0 3 434.434 0.837 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993162 1073227969 /nfs/dbraw/zinc/22/79/69/1073227969.db2.gz QPBQPKHVUKDZCY-MAUKXSAKSA-N 0 3 434.434 0.837 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993163 1073227894 /nfs/dbraw/zinc/22/78/94/1073227894.db2.gz QPBQPKHVUKDZCY-QAPCUYQASA-N 0 3 434.434 0.837 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1=O ZINC001558993165 1073228038 /nfs/dbraw/zinc/22/80/38/1073228038.db2.gz QPBQPKHVUKDZCY-YJBOKZPZSA-N 0 3 434.434 0.837 20 0 ICADHN COc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1S(=O)(=O)NCc1ccccn1 ZINC001558993525 1073227954 /nfs/dbraw/zinc/22/79/54/1073227954.db2.gz XFRBKYBNBLSOEN-GOSISDBHSA-N 0 3 448.545 0.755 20 0 ICADHN COc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1S(=O)(=O)NCc1ccccn1 ZINC001558993527 1073227926 /nfs/dbraw/zinc/22/79/26/1073227926.db2.gz XFRBKYBNBLSOEN-SFHVURJKSA-N 0 3 448.545 0.755 20 0 ICADHN CCn1c2ccc(NC(=O)CCC(=O)N3CCN4C[C@H](O)C[C@H]4C3)nc2n(CC)c1=O ZINC001559005976 1073229000 /nfs/dbraw/zinc/22/90/00/1073229000.db2.gz QFFSHYBZJYSNRG-LSDHHAIUSA-N 0 3 430.509 0.234 20 0 ICADHN Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)cn1C ZINC001559016357 1073230174 /nfs/dbraw/zinc/23/01/74/1073230174.db2.gz OSCALSXKTCULNY-UHFFFAOYSA-N 0 3 425.902 0.670 20 0 ICADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001559027611 1073231075 /nfs/dbraw/zinc/23/10/75/1073231075.db2.gz GOMCBWAHGXSILG-UHFFFAOYSA-N 0 3 428.537 0.753 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001559038830 1073231524 /nfs/dbraw/zinc/23/15/24/1073231524.db2.gz YLKKVMTWACHPDS-INIZCTEOSA-N 0 3 438.550 0.036 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001559038831 1073231591 /nfs/dbraw/zinc/23/15/91/1073231591.db2.gz YLKKVMTWACHPDS-MRXNPFEDSA-N 0 3 438.550 0.036 20 0 ICADHN COCCN(C)CCN1C[C@H](Nc2nc(C)ncc2I)CC1=O ZINC001559216803 1073233290 /nfs/dbraw/zinc/23/32/90/1073233290.db2.gz OJRBXYAGHSHLGI-GFCCVEGCSA-N 0 3 433.294 0.981 20 0 ICADHN COCCN(C)CCN1C[C@@H](Nc2nc(C)ncc2I)CC1=O ZINC001559216804 1073233267 /nfs/dbraw/zinc/23/32/67/1073233267.db2.gz OJRBXYAGHSHLGI-LBPRGKRZSA-N 0 3 433.294 0.981 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001559529686 1073239998 /nfs/dbraw/zinc/23/99/98/1073239998.db2.gz WMOJLTJDVQXUPK-KRWDZBQOSA-N 0 3 432.631 0.474 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001559529687 1073239836 /nfs/dbraw/zinc/23/98/36/1073239836.db2.gz WMOJLTJDVQXUPK-QGZVFWFLSA-N 0 3 432.631 0.474 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN(CCN3CCOCC3)CC(=O)OC)cc2)CC1 ZINC001559551030 1073240398 /nfs/dbraw/zinc/24/03/98/1073240398.db2.gz XHAXCMAGIRTDNM-UHFFFAOYSA-N 0 3 447.580 0.574 20 0 ICADHN CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001559635335 1073242210 /nfs/dbraw/zinc/24/22/10/1073242210.db2.gz AKJHIURUWRQNFI-UHFFFAOYSA-N 0 3 436.578 0.763 20 0 ICADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001559672811 1073244420 /nfs/dbraw/zinc/24/44/20/1073244420.db2.gz SSHPUVIQGJKTSN-CMKODMSKSA-N 0 3 432.583 0.987 20 0 ICADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001559672812 1073244465 /nfs/dbraw/zinc/24/44/65/1073244465.db2.gz SSHPUVIQGJKTSN-NLWGTHIKSA-N 0 3 432.583 0.987 20 0 ICADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1CCCN1C(=O)CNC1=O ZINC001559777894 1073245866 /nfs/dbraw/zinc/24/58/66/1073245866.db2.gz HFHBLMUUESFHEI-HNNXBMFYSA-N 0 3 425.530 0.814 20 0 ICADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1CCCN1C(=O)CNC1=O ZINC001559777895 1073245924 /nfs/dbraw/zinc/24/59/24/1073245924.db2.gz HFHBLMUUESFHEI-OAHLLOKOSA-N 0 3 425.530 0.814 20 0 ICADHN C[C@]1(C(N)=O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001559785041 1073245751 /nfs/dbraw/zinc/24/57/51/1073245751.db2.gz NGVWMHLAUDGOQG-FQEVSTJZSA-N 0 3 438.550 0.468 20 0 ICADHN C[C@@]1(C(N)=O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001559785042 1073245849 /nfs/dbraw/zinc/24/58/49/1073245849.db2.gz NGVWMHLAUDGOQG-HXUWFJFHSA-N 0 3 438.550 0.468 20 0 ICADHN O=C(C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799471 1073246383 /nfs/dbraw/zinc/24/63/83/1073246383.db2.gz ZXZFGLVZWSHBSZ-KRWDZBQOSA-N 0 3 429.477 0.743 20 0 ICADHN O=C(C[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799471 1073246379 /nfs/dbraw/zinc/24/63/79/1073246379.db2.gz ZXZFGLVZWSHBSZ-KRWDZBQOSA-N 0 3 429.477 0.743 20 0 ICADHN O=C(C[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799472 1073246240 /nfs/dbraw/zinc/24/62/40/1073246240.db2.gz ZXZFGLVZWSHBSZ-QGZVFWFLSA-N 0 3 429.477 0.743 20 0 ICADHN O=C(C[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799472 1073246233 /nfs/dbraw/zinc/24/62/33/1073246233.db2.gz ZXZFGLVZWSHBSZ-QGZVFWFLSA-N 0 3 429.477 0.743 20 0 ICADHN O=C(CCN1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001559802356 1073246333 /nfs/dbraw/zinc/24/63/33/1073246333.db2.gz YOMZHRHLCUIBLI-FQEVSTJZSA-N 0 3 449.533 0.474 20 0 ICADHN O=C(CCN1CCC[C@]2(C1)NC(=O)NC2=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001559802357 1073246437 /nfs/dbraw/zinc/24/64/37/1073246437.db2.gz YOMZHRHLCUIBLI-HXUWFJFHSA-N 0 3 449.533 0.474 20 0 ICADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC001559830275 1073247098 /nfs/dbraw/zinc/24/70/98/1073247098.db2.gz HSDHSZUKMMRSEU-AEFFLSMTSA-N 0 3 436.578 0.798 20 0 ICADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC001559830276 1073247122 /nfs/dbraw/zinc/24/71/22/1073247122.db2.gz HSDHSZUKMMRSEU-FUHWJXTLSA-N 0 3 436.578 0.798 20 0 ICADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC001559830277 1073246972 /nfs/dbraw/zinc/24/69/72/1073246972.db2.gz HSDHSZUKMMRSEU-SJLPKXTDSA-N 0 3 436.578 0.798 20 0 ICADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC001559830278 1073247038 /nfs/dbraw/zinc/24/70/38/1073247038.db2.gz HSDHSZUKMMRSEU-WMZOPIPTSA-N 0 3 436.578 0.798 20 0 ICADHN CS(C)(=O)=NS(=O)(=O)N1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001559837061 1073247981 /nfs/dbraw/zinc/24/79/81/1073247981.db2.gz LPIYWAMJZOTJKJ-IBGZPJMESA-N 0 3 444.623 0.868 20 0 ICADHN CS(C)(=O)=NS(=O)(=O)N1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001559837062 1073247929 /nfs/dbraw/zinc/24/79/29/1073247929.db2.gz LPIYWAMJZOTJKJ-LJQANCHMSA-N 0 3 444.623 0.868 20 0 ICADHN CC[C@@H](C)N1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001559839302 1073248521 /nfs/dbraw/zinc/24/85/21/1073248521.db2.gz XVKFXMWMCSDTSJ-GOSISDBHSA-N 0 3 438.594 0.740 20 0 ICADHN CC[C@H](C)N1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001559839303 1073248458 /nfs/dbraw/zinc/24/84/58/1073248458.db2.gz XVKFXMWMCSDTSJ-SFHVURJKSA-N 0 3 438.594 0.740 20 0 ICADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001559839758 1073248501 /nfs/dbraw/zinc/24/85/01/1073248501.db2.gz MPUGAPRXKWSNDC-MSOLQXFVSA-N 0 3 439.534 0.967 20 0 ICADHN COCCN(C(=O)CN[C@@H]1CCC[C@H]1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001559850129 1073249775 /nfs/dbraw/zinc/24/97/75/1073249775.db2.gz QOPJJDPIHLSGPO-IAGOWNOFSA-N 0 3 445.520 0.716 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H](C)C(C)(C)O)CC2)c1 ZINC001559850194 1073250045 /nfs/dbraw/zinc/25/00/45/1073250045.db2.gz SOKJCSFKGMBNSS-INIZCTEOSA-N 0 3 425.551 0.813 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H](C)C(C)(C)O)CC2)c1 ZINC001559850195 1073249919 /nfs/dbraw/zinc/24/99/19/1073249919.db2.gz SOKJCSFKGMBNSS-MRXNPFEDSA-N 0 3 425.551 0.813 20 0 ICADHN CC[C@H]1[C@@H](CO)CCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001559873762 1073250686 /nfs/dbraw/zinc/25/06/86/1073250686.db2.gz XXFIIBKEXXAJLD-PBHICJAKSA-N 0 3 431.505 0.891 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCS(=O)(=O)[C@H]4COCC[C@@H]43)cc2)CC1 ZINC001559897255 1073251626 /nfs/dbraw/zinc/25/16/26/1073251626.db2.gz JEWAGAUEOTWWCL-PMACEKPBSA-N 0 3 436.578 0.655 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCS(=O)(=O)[C@H]4COCC[C@H]43)cc2)CC1 ZINC001559897256 1073251736 /nfs/dbraw/zinc/25/17/36/1073251736.db2.gz JEWAGAUEOTWWCL-UXHICEINSA-N 0 3 436.578 0.655 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC001559897257 1073251865 /nfs/dbraw/zinc/25/18/65/1073251865.db2.gz JEWAGAUEOTWWCL-VQTJNVASSA-N 0 3 436.578 0.655 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCS(=O)(=O)[C@@H]4COCC[C@H]43)cc2)CC1 ZINC001559897258 1073251687 /nfs/dbraw/zinc/25/16/87/1073251687.db2.gz JEWAGAUEOTWWCL-WOJBJXKFSA-N 0 3 436.578 0.655 20 0 ICADHN CC[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC001559900138 1073252242 /nfs/dbraw/zinc/25/22/42/1073252242.db2.gz HDQUCNMJMYUOOB-SJORKVTESA-N 0 3 441.550 0.694 20 0 ICADHN CC[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001559900753 1073252179 /nfs/dbraw/zinc/25/21/79/1073252179.db2.gz XGDUEBSPPHHOJF-SJORKVTESA-N 0 3 439.534 0.448 20 0 ICADHN O=C(CNC1(CO)CCSCC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001559900766 1073252199 /nfs/dbraw/zinc/25/21/99/1073252199.db2.gz XPLHGGCOTURCKT-UHFFFAOYSA-N 0 3 426.564 0.943 20 0 ICADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](CCCO)C3)CC2)cc1 ZINC001559905387 1073253019 /nfs/dbraw/zinc/25/30/19/1073253019.db2.gz AFMZFDAJRASICR-GOSISDBHSA-N 0 3 437.562 0.817 20 0 ICADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](CCCO)C3)CC2)cc1 ZINC001559905389 1073252954 /nfs/dbraw/zinc/25/29/54/1073252954.db2.gz AFMZFDAJRASICR-SFHVURJKSA-N 0 3 437.562 0.817 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CNC(C)(C)CN3CCOCC3)C2=O)cc1 ZINC001559909748 1073253336 /nfs/dbraw/zinc/25/33/36/1073253336.db2.gz RBERBCGUHDUAFH-NRFANRHFSA-N 0 3 433.509 0.194 20 0 ICADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CNC(C)(C)CN3CCOCC3)C2=O)cc1 ZINC001559909749 1073253589 /nfs/dbraw/zinc/25/35/89/1073253589.db2.gz RBERBCGUHDUAFH-OAQYLSRUSA-N 0 3 433.509 0.194 20 0 ICADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001559910982 1073254125 /nfs/dbraw/zinc/25/41/25/1073254125.db2.gz DQSUBGCVDGXSEH-AOMKIAJQSA-N 0 3 444.557 0.510 20 0 ICADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001559910986 1073254097 /nfs/dbraw/zinc/25/40/97/1073254097.db2.gz DQSUBGCVDGXSEH-KSFYIVLOSA-N 0 3 444.557 0.510 20 0 ICADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001559910988 1073254116 /nfs/dbraw/zinc/25/41/16/1073254116.db2.gz DQSUBGCVDGXSEH-OPAMFIHVSA-N 0 3 444.557 0.510 20 0 ICADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001559910990 1073254485 /nfs/dbraw/zinc/25/44/85/1073254485.db2.gz DQSUBGCVDGXSEH-ZHRRBRCNSA-N 0 3 444.557 0.510 20 0 ICADHN CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001559917569 1073255826 /nfs/dbraw/zinc/25/58/26/1073255826.db2.gz IMXHQHBUUTUVFD-UHFFFAOYSA-N 0 3 434.541 0.477 20 0 ICADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H](C)C2(OC)CCOCC2)c(=O)[nH]c1=O ZINC001559919192 1073255595 /nfs/dbraw/zinc/25/55/95/1073255595.db2.gz BRKLDWPLBITYHG-AWEZNQCLSA-N 0 3 425.530 0.858 20 0 ICADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@H](C)C2(OC)CCOCC2)c(=O)[nH]c1=O ZINC001559919193 1073255710 /nfs/dbraw/zinc/25/57/10/1073255710.db2.gz BRKLDWPLBITYHG-CQSZACIVSA-N 0 3 425.530 0.858 20 0 ICADHN COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001559924362 1073256559 /nfs/dbraw/zinc/25/65/59/1073256559.db2.gz SUNQKIGEGWJCLZ-FQEVSTJZSA-N 0 3 430.549 0.783 20 0 ICADHN COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001559924363 1073256384 /nfs/dbraw/zinc/25/63/84/1073256384.db2.gz SUNQKIGEGWJCLZ-HXUWFJFHSA-N 0 3 430.549 0.783 20 0 ICADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001559942425 1073258249 /nfs/dbraw/zinc/25/82/49/1073258249.db2.gz WIQSSXYAJGBWBV-JOCHJYFZSA-N 0 3 435.590 0.919 20 0 ICADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001559942426 1073258340 /nfs/dbraw/zinc/25/83/40/1073258340.db2.gz WIQSSXYAJGBWBV-QFIPXVFZSA-N 0 3 435.590 0.919 20 0 ICADHN CCCCN(C(=O)CN1CCN2C[C@H](O)C[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001559953225 1073259818 /nfs/dbraw/zinc/25/98/18/1073259818.db2.gz KUMSMFVAVKZAGQ-JKSUJKDBSA-N 0 3 436.557 0.071 20 0 ICADHN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC001559953437 1073259760 /nfs/dbraw/zinc/25/97/60/1073259760.db2.gz RADDBCBTFYCONY-UONOGXRCSA-N 0 3 438.550 0.624 20 0 ICADHN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC001559964092 1073260157 /nfs/dbraw/zinc/26/01/57/1073260157.db2.gz LAQVJSUQJNGSQY-UHFFFAOYSA-N 0 3 442.520 0.693 20 0 ICADHN Cc1ccc(N(C(=O)CN2CCN(CCN(C)C)C(=O)C2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC001559964263 1073260321 /nfs/dbraw/zinc/26/03/21/1073260321.db2.gz PZOKWTWWHLHKHY-FQEVSTJZSA-N 0 3 448.589 0.653 20 0 ICADHN Cc1ccc(N(C(=O)CN2CCN(CCN(C)C)C(=O)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC001559964264 1073260372 /nfs/dbraw/zinc/26/03/72/1073260372.db2.gz PZOKWTWWHLHKHY-HXUWFJFHSA-N 0 3 448.589 0.653 20 0 ICADHN CN(C)CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O ZINC001559964512 1073260344 /nfs/dbraw/zinc/26/03/44/1073260344.db2.gz WYQSLSQIHZKNCQ-UHFFFAOYSA-N 0 3 437.566 0.115 20 0 ICADHN C[C@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1CCO ZINC001559982422 1073262742 /nfs/dbraw/zinc/26/27/42/1073262742.db2.gz OLOXGEROPSIUQO-FXAWDEMLSA-N 0 3 439.578 0.807 20 0 ICADHN C[C@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1CCO ZINC001559982423 1073262650 /nfs/dbraw/zinc/26/26/50/1073262650.db2.gz OLOXGEROPSIUQO-PXNSSMCTSA-N 0 3 439.578 0.807 20 0 ICADHN C[C@@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1CCO ZINC001559982424 1073262615 /nfs/dbraw/zinc/26/26/15/1073262615.db2.gz OLOXGEROPSIUQO-XLIONFOSSA-N 0 3 439.578 0.807 20 0 ICADHN C[C@@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1CCO ZINC001559982425 1073262770 /nfs/dbraw/zinc/26/27/70/1073262770.db2.gz OLOXGEROPSIUQO-YLJYHZDGSA-N 0 3 439.578 0.807 20 0 ICADHN CCN1CCN(c2ccc(NC(=O)CN3CCN(C(=O)C(OC)OC)CC3)cc2)CC1 ZINC001559986114 1073263193 /nfs/dbraw/zinc/26/31/93/1073263193.db2.gz KFTUPTFYUFOBTQ-UHFFFAOYSA-N 0 3 433.553 0.530 20 0 ICADHN O=C(CN[C@H]1C[C@@H](O)C12CCC2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001559999806 1073264344 /nfs/dbraw/zinc/26/43/44/1073264344.db2.gz MYHDHJFXVSTGEZ-JKSUJKDBSA-N 0 3 429.489 0.691 20 0 ICADHN CN(CCCNC(=O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)S(C)(=O)=O ZINC001560009792 1073265548 /nfs/dbraw/zinc/26/55/48/1073265548.db2.gz DXYORVUHUIEPDL-HNNXBMFYSA-N 0 3 432.587 0.906 20 0 ICADHN CN(CCCNC(=O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)S(C)(=O)=O ZINC001560009793 1073265412 /nfs/dbraw/zinc/26/54/12/1073265412.db2.gz DXYORVUHUIEPDL-OAHLLOKOSA-N 0 3 432.587 0.906 20 0 ICADHN Cn1cc(C(=O)NC[C@@H]2CCCN2CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC001560055702 1073271390 /nfs/dbraw/zinc/27/13/90/1073271390.db2.gz KMHVLIBBTVTULB-INIZCTEOSA-N 0 3 445.524 0.290 20 0 ICADHN Cn1cc(C(=O)NC[C@H]2CCCN2CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC001560055703 1073271592 /nfs/dbraw/zinc/27/15/92/1073271592.db2.gz KMHVLIBBTVTULB-MRXNPFEDSA-N 0 3 445.524 0.290 20 0 ICADHN CC(=O)NCC(=O)N1CCCN(C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001560056574 1073271743 /nfs/dbraw/zinc/27/17/43/1073271743.db2.gz MYZNPLJPGDLGBD-GOSISDBHSA-N 0 3 426.558 0.665 20 0 ICADHN CC(=O)NCC(=O)N1CCCN(C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001560056575 1073272338 /nfs/dbraw/zinc/27/23/38/1073272338.db2.gz MYZNPLJPGDLGBD-SFHVURJKSA-N 0 3 426.558 0.665 20 0 ICADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCCCCCNC(=O)CC2)CC1 ZINC001560057340 1073272222 /nfs/dbraw/zinc/27/22/22/1073272222.db2.gz OJWGTZGYJYLCPX-UHFFFAOYSA-N 0 3 428.541 0.394 20 0 ICADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC001560060147 1073272881 /nfs/dbraw/zinc/27/28/81/1073272881.db2.gz GPNPRZHBHFOZCZ-DHIUTWEWSA-N 0 3 426.517 0.700 20 0 ICADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC001560060148 1073272978 /nfs/dbraw/zinc/27/29/78/1073272978.db2.gz GPNPRZHBHFOZCZ-GOTSBHOMSA-N 0 3 426.517 0.700 20 0 ICADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC001560060149 1073272852 /nfs/dbraw/zinc/27/28/52/1073272852.db2.gz GPNPRZHBHFOZCZ-ZRZAMGCNSA-N 0 3 426.517 0.700 20 0 ICADHN COC(=O)[C@@]1(C)CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@@H]1C ZINC001560063909 1073273813 /nfs/dbraw/zinc/27/38/13/1073273813.db2.gz MIWYUXKBHLQISO-UWJYYQICSA-N 0 3 437.562 0.792 20 0 ICADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(=O)[nH]c1=O ZINC001560065656 1073274225 /nfs/dbraw/zinc/27/42/25/1073274225.db2.gz UXHYMVAXUMSGHL-FQLMCAECSA-N 0 3 425.530 0.712 20 0 ICADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(=O)[nH]c1=O ZINC001560065657 1073274367 /nfs/dbraw/zinc/27/43/67/1073274367.db2.gz UXHYMVAXUMSGHL-HOSILWTGSA-N 0 3 425.530 0.712 20 0 ICADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(=O)[nH]c1=O ZINC001560065658 1073274245 /nfs/dbraw/zinc/27/42/45/1073274245.db2.gz UXHYMVAXUMSGHL-NYTXWWLZSA-N 0 3 425.530 0.712 20 0 ICADHN CCCCn1c(N)c(N(CCOC)C(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(=O)[nH]c1=O ZINC001560065659 1073274472 /nfs/dbraw/zinc/27/44/72/1073274472.db2.gz UXHYMVAXUMSGHL-YXWQFLTLSA-N 0 3 425.530 0.712 20 0 ICADHN COC(=O)C[C@](C)(NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC001560084132 1073276594 /nfs/dbraw/zinc/27/65/94/1073276594.db2.gz IKFPQAPIPVOOEP-LEWJYISDSA-N 0 3 432.477 0.815 20 0 ICADHN COC(=O)C[C@@](C)(NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC001560084133 1073276364 /nfs/dbraw/zinc/27/63/64/1073276364.db2.gz IKFPQAPIPVOOEP-NHCUHLMSSA-N 0 3 432.477 0.815 20 0 ICADHN COC(=O)C[C@@](C)(NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC001560084134 1073276407 /nfs/dbraw/zinc/27/64/07/1073276407.db2.gz IKFPQAPIPVOOEP-RTWAWAEBSA-N 0 3 432.477 0.815 20 0 ICADHN COC(=O)C[C@](C)(NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC001560084135 1073276524 /nfs/dbraw/zinc/27/65/24/1073276524.db2.gz IKFPQAPIPVOOEP-SFTDATJTSA-N 0 3 432.477 0.815 20 0 ICADHN COC[C@H](C)OC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001560093931 1073277578 /nfs/dbraw/zinc/27/75/78/1073277578.db2.gz KBRIDWGFKLNSSQ-AVEIZBFRSA-N 0 3 443.541 0.913 20 0 ICADHN COC[C@H](C)OC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001560093932 1073277698 /nfs/dbraw/zinc/27/76/98/1073277698.db2.gz KBRIDWGFKLNSSQ-RZFLPCETSA-N 0 3 443.541 0.913 20 0 ICADHN COC[C@H](C)OC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001560093933 1073277450 /nfs/dbraw/zinc/27/74/50/1073277450.db2.gz KBRIDWGFKLNSSQ-TXTZMMAHSA-N 0 3 443.541 0.913 20 0 ICADHN COC[C@H](C)OC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001560093934 1073277498 /nfs/dbraw/zinc/27/74/98/1073277498.db2.gz KBRIDWGFKLNSSQ-TZNCUMHOSA-N 0 3 443.541 0.913 20 0 ICADHN COC1(OC)CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C[C@H]1O ZINC001560103359 1073278255 /nfs/dbraw/zinc/27/82/55/1073278255.db2.gz NQOWWNXNZOPVDL-GOSISDBHSA-N 0 3 441.550 0.855 20 0 ICADHN COC1(OC)CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C[C@@H]1O ZINC001560103360 1073278157 /nfs/dbraw/zinc/27/81/57/1073278157.db2.gz NQOWWNXNZOPVDL-SFHVURJKSA-N 0 3 441.550 0.855 20 0 ICADHN Cc1ccccc1CN1CCCN(C(=O)CN(C)Cc2nnc3c(=O)n(C)ccn23)CC1 ZINC001560136096 1073280706 /nfs/dbraw/zinc/28/07/06/1073280706.db2.gz JYQCESQTGXDPQM-UHFFFAOYSA-N 0 3 437.548 0.903 20 0 ICADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001560137207 1073281280 /nfs/dbraw/zinc/28/12/80/1073281280.db2.gz XFIMECUCJUKTHI-AEFFLSMTSA-N 0 3 425.537 0.575 20 0 ICADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001560137208 1073281163 /nfs/dbraw/zinc/28/11/63/1073281163.db2.gz XFIMECUCJUKTHI-FUHWJXTLSA-N 0 3 425.537 0.575 20 0 ICADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001560137209 1073281412 /nfs/dbraw/zinc/28/14/12/1073281412.db2.gz XFIMECUCJUKTHI-SJLPKXTDSA-N 0 3 425.537 0.575 20 0 ICADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001560137210 1073281460 /nfs/dbraw/zinc/28/14/60/1073281460.db2.gz XFIMECUCJUKTHI-WMZOPIPTSA-N 0 3 425.537 0.575 20 0 ICADHN O=C(CN1C[C@@H]2CSC[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001560139016 1073281219 /nfs/dbraw/zinc/28/12/19/1073281219.db2.gz VHAQEDPAPNSNBG-CALCHBBNSA-N 0 3 425.576 0.619 20 0 ICADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@@H]4[C@H](O)CC[C@@H]4C3)CC2)cc1 ZINC001560140314 1073281384 /nfs/dbraw/zinc/28/13/84/1073281384.db2.gz RIQBPQOVEYHQSQ-YZGWKJHDSA-N 0 3 435.546 0.425 20 0 ICADHN CN1CCN(C)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC001560172318 1073285312 /nfs/dbraw/zinc/28/53/12/1073285312.db2.gz SVWAWJXJLOBESL-JXAWBTAJSA-N 0 3 446.577 0.413 20 0 ICADHN CN1CCN(C)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC001560172319 1073285155 /nfs/dbraw/zinc/28/51/55/1073285155.db2.gz SVWAWJXJLOBESL-NBVRZTHBSA-N 0 3 446.577 0.413 20 0 ICADHN COC(=O)[C@H]1CN(C[C@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175017 1073285072 /nfs/dbraw/zinc/28/50/72/1073285072.db2.gz DDNBHQYEVRWWCB-DOTOQJQBSA-N 0 3 428.526 0.885 20 0 ICADHN COC(=O)[C@H]1CN(C[C@@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175018 1073285327 /nfs/dbraw/zinc/28/53/27/1073285327.db2.gz DDNBHQYEVRWWCB-NVXWUHKLSA-N 0 3 428.526 0.885 20 0 ICADHN COC(=O)[C@@H]1CN(C[C@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175019 1073285113 /nfs/dbraw/zinc/28/51/13/1073285113.db2.gz DDNBHQYEVRWWCB-RDJZCZTQSA-N 0 3 428.526 0.885 20 0 ICADHN COC(=O)[C@@H]1CN(C[C@@H](O)COC2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001560175020 1073285344 /nfs/dbraw/zinc/28/53/44/1073285344.db2.gz DDNBHQYEVRWWCB-WBVHZDCISA-N 0 3 428.526 0.885 20 0 ICADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC001560185292 1073286472 /nfs/dbraw/zinc/28/64/72/1073286472.db2.gz PXARKDCVZUDFTQ-MSOLQXFVSA-N 0 3 425.551 0.510 20 0 ICADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC001560185294 1073286225 /nfs/dbraw/zinc/28/62/25/1073286225.db2.gz PXARKDCVZUDFTQ-QZTJIDSGSA-N 0 3 425.551 0.510 20 0 ICADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC001560185295 1073286341 /nfs/dbraw/zinc/28/63/41/1073286341.db2.gz PXARKDCVZUDFTQ-ROUUACIJSA-N 0 3 425.551 0.510 20 0 ICADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC001560185297 1073286303 /nfs/dbraw/zinc/28/63/03/1073286303.db2.gz PXARKDCVZUDFTQ-ZWKOTPCHSA-N 0 3 425.551 0.510 20 0 ICADHN C[C@H](NC[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001560186299 1073286964 /nfs/dbraw/zinc/28/69/64/1073286964.db2.gz MUJABXDTOBMQIK-BBRMVZONSA-N 0 3 433.596 0.986 20 0 ICADHN C[C@H](NC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001560186300 1073286994 /nfs/dbraw/zinc/28/69/94/1073286994.db2.gz MUJABXDTOBMQIK-XJKSGUPXSA-N 0 3 433.596 0.986 20 0 ICADHN NS(=O)(=O)C[C@H]1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194079 1073287462 /nfs/dbraw/zinc/28/74/62/1073287462.db2.gz RTFBEGWQVXMEQF-BLLLJJGKSA-N 0 3 435.468 0.777 20 0 ICADHN NS(=O)(=O)C[C@H]1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194171 1073287771 /nfs/dbraw/zinc/28/77/71/1073287771.db2.gz RTFBEGWQVXMEQF-LRDDRELGSA-N 0 3 435.468 0.777 20 0 ICADHN NS(=O)(=O)C[C@@H]1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194175 1073287634 /nfs/dbraw/zinc/28/76/34/1073287634.db2.gz RTFBEGWQVXMEQF-MLGOLLRUSA-N 0 3 435.468 0.777 20 0 ICADHN NS(=O)(=O)C[C@@H]1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001560194177 1073287511 /nfs/dbraw/zinc/28/75/11/1073287511.db2.gz RTFBEGWQVXMEQF-WBMJQRKESA-N 0 3 435.468 0.777 20 0 ICADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC1(CC(N)=O)CCCCC1 ZINC001560210659 1073289569 /nfs/dbraw/zinc/28/95/69/1073289569.db2.gz GNHRYJKIPPHIQX-UHFFFAOYSA-N 0 3 431.580 0.879 20 0 ICADHN COC(=O)[C@H]1CN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220097 1073290155 /nfs/dbraw/zinc/29/01/55/1073290155.db2.gz DBIJJYZEBOVOJL-BGYRXZFFSA-N 0 3 431.533 0.923 20 0 ICADHN COC(=O)[C@H]1CN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)C[C@@H]1C(=O)OC ZINC001560220098 1073289974 /nfs/dbraw/zinc/28/99/74/1073289974.db2.gz DBIJJYZEBOVOJL-PMACEKPBSA-N 0 3 431.533 0.923 20 0 ICADHN COC(=O)[C@@H]1CN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)C[C@H]1C(=O)OC ZINC001560220099 1073290368 /nfs/dbraw/zinc/29/03/68/1073290368.db2.gz DBIJJYZEBOVOJL-WOJBJXKFSA-N 0 3 431.533 0.923 20 0 ICADHN CN(CCCNC(=O)CN[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)S(C)(=O)=O ZINC001560242225 1073291414 /nfs/dbraw/zinc/29/14/14/1073291414.db2.gz DLBFBYZTPQSRNF-BEFAXECRSA-N 0 3 432.587 0.906 20 0 ICADHN CCS(=O)(=O)N(C)CCCNCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001560266879 1073291278 /nfs/dbraw/zinc/29/12/78/1073291278.db2.gz 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CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC001561114741 1073303688 /nfs/dbraw/zinc/30/36/88/1073303688.db2.gz UPMWUCQJZTXNNC-IBGZPJMESA-N 0 3 448.655 0.929 20 0 ICADHN CN1CCN(Cc2ccc(CNS(=O)(=O)C[C@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 ZINC001561125637 1073305048 /nfs/dbraw/zinc/30/50/48/1073305048.db2.gz SIAPRKDRQPQSBV-IBGZPJMESA-N 0 3 444.623 0.135 20 0 ICADHN CN1CCN(Cc2ccc(CNS(=O)(=O)C[C@@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 ZINC001561125638 1073305194 /nfs/dbraw/zinc/30/51/94/1073305194.db2.gz SIAPRKDRQPQSBV-LJQANCHMSA-N 0 3 444.623 0.135 20 0 ICADHN CN(C)CCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001561186845 1073310567 /nfs/dbraw/zinc/31/05/67/1073310567.db2.gz YIRFDCBSJASLKR-UHFFFAOYSA-N 0 3 447.579 0.436 20 0 ICADHN CN(C)[S@](=O)(=NS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC001561197851 1073312855 /nfs/dbraw/zinc/31/28/55/1073312855.db2.gz NBJHYNIDDZEBRL-KUNJGFBQSA-N 0 3 431.584 0.412 20 0 ICADHN CN(C)[S@@](=O)(=NS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC001561197852 1073312803 /nfs/dbraw/zinc/31/28/03/1073312803.db2.gz NBJHYNIDDZEBRL-QZXCRCNTSA-N 0 3 431.584 0.412 20 0 ICADHN CN(C)[S@@](=O)(=NS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001561197853 1073312662 /nfs/dbraw/zinc/31/26/62/1073312662.db2.gz NBJHYNIDDZEBRL-RXAIFQJESA-N 0 3 431.584 0.412 20 0 ICADHN CN(C)[S@](=O)(=NS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001561197854 1073312690 /nfs/dbraw/zinc/31/26/90/1073312690.db2.gz NBJHYNIDDZEBRL-YVORESIASA-N 0 3 431.584 0.412 20 0 ICADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)C1 ZINC001561198010 1073312729 /nfs/dbraw/zinc/31/27/29/1073312729.db2.gz OJKWVNCLTSJJJH-KRWDZBQOSA-N 0 3 434.562 0.851 20 0 ICADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)C1 ZINC001561198011 1073312870 /nfs/dbraw/zinc/31/28/70/1073312870.db2.gz OJKWVNCLTSJJJH-QGZVFWFLSA-N 0 3 434.562 0.851 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1 ZINC001561198468 1073312761 /nfs/dbraw/zinc/31/27/61/1073312761.db2.gz VMXNFYOVNOZKKF-CVEARBPZSA-N 0 3 432.587 0.893 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1 ZINC001561198471 1073312745 /nfs/dbraw/zinc/31/27/45/1073312745.db2.gz VMXNFYOVNOZKKF-HOTGVXAUSA-N 0 3 432.587 0.893 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1 ZINC001561198473 1073312783 /nfs/dbraw/zinc/31/27/83/1073312783.db2.gz VMXNFYOVNOZKKF-HZPDHXFCSA-N 0 3 432.587 0.893 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1 ZINC001561198475 1073312672 /nfs/dbraw/zinc/31/26/72/1073312672.db2.gz VMXNFYOVNOZKKF-JKSUJKDBSA-N 0 3 432.587 0.893 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001561221187 1073315055 /nfs/dbraw/zinc/31/50/55/1073315055.db2.gz XIAHWAFSPBPBHE-KRWDZBQOSA-N 0 3 444.598 0.956 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001561221188 1073314836 /nfs/dbraw/zinc/31/48/36/1073314836.db2.gz 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CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1 ZINC001561263531 1073319126 /nfs/dbraw/zinc/31/91/26/1073319126.db2.gz XGXBJBMCLLYGCN-UHFFFAOYSA-N 0 3 433.596 0.905 20 0 ICADHN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)CCCN(C)C)CC2)cc1OC ZINC001561277914 1073320460 /nfs/dbraw/zinc/32/04/60/1073320460.db2.gz RNCRSILSLKJXKT-UHFFFAOYSA-N 0 3 449.595 0.728 20 0 ICADHN CN(CCNC(=O)C1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)Cc1ccccc1 ZINC001561318557 1073322804 /nfs/dbraw/zinc/32/28/04/1073322804.db2.gz FRKMZGJWSXYGTJ-UHFFFAOYSA-N 0 3 437.610 0.439 20 0 ICADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001561351612 1073325055 /nfs/dbraw/zinc/32/50/55/1073325055.db2.gz ZXKSSWCWTDYYIF-HZMBPMFUSA-N 0 3 429.417 0.510 20 0 ICADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001561351613 1073324972 /nfs/dbraw/zinc/32/49/72/1073324972.db2.gz ZXKSSWCWTDYYIF-IINYFYTJSA-N 0 3 429.417 0.510 20 0 ICADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001561351614 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ICADHN CCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001562037562 1073430696 /nfs/dbraw/zinc/43/06/96/1073430696.db2.gz RSOOXTRYDSKHHJ-MRXNPFEDSA-N 0 3 431.580 0.731 20 0 ICADHN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCCN(C)CCO ZINC001562081853 1073437050 /nfs/dbraw/zinc/43/70/50/1073437050.db2.gz JDWRVNKPJOEGAX-UHFFFAOYSA-N 0 3 430.527 0.152 20 0 ICADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001562224381 1073443641 /nfs/dbraw/zinc/44/36/41/1073443641.db2.gz DTZBJQVWRRQKMY-LSDHHAIUSA-N 0 3 428.486 0.129 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001562252446 1073445691 /nfs/dbraw/zinc/44/56/91/1073445691.db2.gz FWRKZRMJAVBLFF-UHFFFAOYSA-N 0 3 425.555 0.405 20 0 ICADHN COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C)CCN(C)CC1 ZINC001562280753 1073446413 /nfs/dbraw/zinc/44/64/13/1073446413.db2.gz GUAIDPZEDRUKDX-UHFFFAOYSA-N 0 3 432.569 0.794 20 0 ICADHN CCN1CCN(C(=O)c2ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc2)CC1 ZINC001562293539 1073447019 /nfs/dbraw/zinc/44/70/19/1073447019.db2.gz QNSRMUXSPWDHBD-UHFFFAOYSA-N 0 3 432.569 0.948 20 0 ICADHN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCN3CC[C@H](O)C3)c2)CC1 ZINC001562326496 1073448758 /nfs/dbraw/zinc/44/87/58/1073448758.db2.gz PGXXGOYONUWWKO-KRWDZBQOSA-N 0 3 425.555 0.201 20 0 ICADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)NCCN2CCC(O)CC2)cc1 ZINC001562329858 1073448420 /nfs/dbraw/zinc/44/84/20/1073448420.db2.gz JQQXJIMZMAFROW-UHFFFAOYSA-N 0 3 432.569 0.475 20 0 ICADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@H]3CCCN(CCCO)C3)cn2)CC1 ZINC001562355947 1073449826 /nfs/dbraw/zinc/44/98/26/1073449826.db2.gz RWHQTWRHMQNJCP-KRWDZBQOSA-N 0 3 440.570 0.132 20 0 ICADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@@H]3CCCN(CCCO)C3)cn2)CC1 ZINC001562355948 1073449993 /nfs/dbraw/zinc/44/99/93/1073449993.db2.gz RWHQTWRHMQNJCP-QGZVFWFLSA-N 0 3 440.570 0.132 20 0 ICADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001562422314 1073453980 /nfs/dbraw/zinc/45/39/80/1073453980.db2.gz SWVAOUWPFPWYNI-AWEZNQCLSA-N 0 3 441.554 0.919 20 0 ICADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001562422315 1073453867 /nfs/dbraw/zinc/45/38/67/1073453867.db2.gz SWVAOUWPFPWYNI-CQSZACIVSA-N 0 3 441.554 0.919 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC001562423329 1073454386 /nfs/dbraw/zinc/45/43/86/1073454386.db2.gz DNFCUTPKRDBOBC-UHFFFAOYSA-N 0 3 433.557 0.553 20 0 ICADHN COC(=O)c1cc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)cc(S(C)(=O)=O)c1 ZINC001562504180 1073459182 /nfs/dbraw/zinc/45/91/82/1073459182.db2.gz SJYLPOASONQIQC-UHFFFAOYSA-N 0 3 426.495 0.114 20 0 ICADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N(C)CCN(C)CCO)c1 ZINC001562523326 1073460465 /nfs/dbraw/zinc/46/04/65/1073460465.db2.gz HMYOZUXTCGJZGS-UHFFFAOYSA-N 0 3 443.570 0.161 20 0 ICADHN Cn1cnn(-c2ccc(NC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2)c1=O ZINC001562555529 1073460487 /nfs/dbraw/zinc/46/04/87/1073460487.db2.gz UHGGSUCVRDNLSC-UHFFFAOYSA-N 0 3 427.509 0.909 20 0 ICADHN CCN1CCN(CC(C)(C)NC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC001562569192 1073462785 /nfs/dbraw/zinc/46/27/85/1073462785.db2.gz RTUHGKPWDXHVOW-UHFFFAOYSA-N 0 3 427.571 0.431 20 0 ICADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001562632619 1073464648 /nfs/dbraw/zinc/46/46/48/1073464648.db2.gz BPUYCMKLMLMZNW-UHFFFAOYSA-N 0 3 430.553 0.588 20 0 ICADHN COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC001562646369 1073465517 /nfs/dbraw/zinc/46/55/17/1073465517.db2.gz QCKXIUQDTOWBEK-KRWDZBQOSA-N 0 3 440.566 0.898 20 0 ICADHN COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NC[C@H]1CCCCN1CCO ZINC001562646370 1073465505 /nfs/dbraw/zinc/46/55/05/1073465505.db2.gz QCKXIUQDTOWBEK-QGZVFWFLSA-N 0 3 440.566 0.898 20 0 ICADHN COCC(=O)N1CCc2cc(NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc21 ZINC001562662586 1073465963 /nfs/dbraw/zinc/46/59/63/1073465963.db2.gz REYINIQWJXJRIB-UHFFFAOYSA-N 0 3 429.521 0.994 20 0 ICADHN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)N[C@H]1CCCN(CCCO)C1 ZINC001562683366 1073467409 /nfs/dbraw/zinc/46/74/09/1073467409.db2.gz FUQBWKLKGQZQBO-HNNXBMFYSA-N 0 3 427.527 0.071 20 0 ICADHN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)N[C@@H]1CCCN(CCCO)C1 ZINC001562683367 1073467312 /nfs/dbraw/zinc/46/73/12/1073467312.db2.gz FUQBWKLKGQZQBO-OAHLLOKOSA-N 0 3 427.527 0.071 20 0 ICADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001562690534 1073468222 /nfs/dbraw/zinc/46/82/22/1073468222.db2.gz QJADTUZHHMPBFP-UHFFFAOYSA-N 0 3 434.541 0.883 20 0 ICADHN CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001562761467 1073471011 /nfs/dbraw/zinc/47/10/11/1073471011.db2.gz CWLXFZUXWAYVJZ-KRWDZBQOSA-N 0 3 430.509 0.014 20 0 ICADHN CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001562761468 1073471249 /nfs/dbraw/zinc/47/12/49/1073471249.db2.gz CWLXFZUXWAYVJZ-QGZVFWFLSA-N 0 3 430.509 0.014 20 0 ICADHN CN1CCN(c2ncc(Br)cc2NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC001562813394 1072462000 /nfs/dbraw/zinc/46/20/00/1072462000.db2.gz POCIYGBQXRGJKB-CQSZACIVSA-N 0 3 427.347 0.784 20 0 ICADHN CN1CCN(c2ncc(Br)cc2NC(=O)NCc2n[nH]c(CO)n2)CC1 ZINC001562813443 1072461993 /nfs/dbraw/zinc/46/19/93/1072461993.db2.gz RJBOFSIDJVWOEW-UHFFFAOYSA-N 0 3 425.291 0.528 20 0 ICADHN CCOC(=O)CN1c2ccc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2C(F)(F)C1=O ZINC001562849005 1072463637 /nfs/dbraw/zinc/46/36/37/1072463637.db2.gz MRPPYMSMELDKPJ-UONOGXRCSA-N 0 3 438.431 0.971 20 0 ICADHN CN(C)CCN1CCN(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CC1=O ZINC001562858988 1072463652 /nfs/dbraw/zinc/46/36/52/1072463652.db2.gz RASFUUXVELKOPY-UHFFFAOYSA-N 0 3 438.550 0.877 20 0 ICADHN CN(C)CCn1nccc1NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001562882587 1072464092 /nfs/dbraw/zinc/46/40/92/1072464092.db2.gz NUVWFOVOVZKLGU-HNNXBMFYSA-N 0 3 426.477 0.974 20 0 ICADHN CN(C)CCn1nccc1NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001562882589 1072464032 /nfs/dbraw/zinc/46/40/32/1072464032.db2.gz NUVWFOVOVZKLGU-OAHLLOKOSA-N 0 3 426.477 0.974 20 0 ICADHN CN(C)CCn1nccc1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001562883131 1072464004 /nfs/dbraw/zinc/46/40/04/1072464004.db2.gz XIKHENIXJAHJIV-UHFFFAOYSA-N 0 3 436.538 0.787 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001562935261 1072465087 /nfs/dbraw/zinc/46/50/87/1072465087.db2.gz KOJMFQIZPVYFHG-CYBMUJFWSA-N 0 3 429.568 0.678 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001562935262 1072465151 /nfs/dbraw/zinc/46/51/51/1072465151.db2.gz KOJMFQIZPVYFHG-ZDUSSCGKSA-N 0 3 429.568 0.678 20 0 ICADHN CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001563027925 1072511809 /nfs/dbraw/zinc/51/18/09/1072511809.db2.gz FOADOKHVMAQWGG-DLBZAZTESA-N 0 3 438.550 0.553 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc(=O)n(CC(N)=O)c3)cc2)CC1 ZINC001563036121 1072516152 /nfs/dbraw/zinc/51/61/52/1072516152.db2.gz NZRSCTFTZBRFFS-UHFFFAOYSA-N 0 3 426.521 0.793 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001563161445 1073477354 /nfs/dbraw/zinc/47/73/54/1073477354.db2.gz OYHJXSBUEKZJMU-DLBZAZTESA-N 0 3 434.493 0.661 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001563161446 1073477439 /nfs/dbraw/zinc/47/74/39/1073477439.db2.gz OYHJXSBUEKZJMU-IAGOWNOFSA-N 0 3 434.493 0.661 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001563161447 1073477577 /nfs/dbraw/zinc/47/75/77/1073477577.db2.gz OYHJXSBUEKZJMU-IRXDYDNUSA-N 0 3 434.493 0.661 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001563161448 1073477372 /nfs/dbraw/zinc/47/73/72/1073477372.db2.gz OYHJXSBUEKZJMU-SJORKVTESA-N 0 3 434.493 0.661 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001563161503 1073477471 /nfs/dbraw/zinc/47/74/71/1073477471.db2.gz QMFBDZLMSZSPCS-INIZCTEOSA-N 0 3 434.493 0.973 20 0 ICADHN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001563161504 1073477414 /nfs/dbraw/zinc/47/74/14/1073477414.db2.gz QMFBDZLMSZSPCS-MRXNPFEDSA-N 0 3 434.493 0.973 20 0 ICADHN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@H]1N1CCN(C)CC1 ZINC001563284645 1073480451 /nfs/dbraw/zinc/48/04/51/1073480451.db2.gz MLBBTQGLQMEUMV-CRAIPNDOSA-N 0 3 428.537 0.727 20 0 ICADHN C[C@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@H]1N1CCN(C)CC1 ZINC001563284646 1073480339 /nfs/dbraw/zinc/48/03/39/1073480339.db2.gz MLBBTQGLQMEUMV-MAUKXSAKSA-N 0 3 428.537 0.727 20 0 ICADHN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@@H]1N1CCN(C)CC1 ZINC001563284647 1073480278 /nfs/dbraw/zinc/48/02/78/1073480278.db2.gz MLBBTQGLQMEUMV-QAPCUYQASA-N 0 3 428.537 0.727 20 0 ICADHN C[C@H]1CN(C(=O)Nc2ccc3c(c2)n(C)c(=O)n(C)c3=O)CC[C@@H]1N1CCN(C)CC1 ZINC001563284648 1073481026 /nfs/dbraw/zinc/48/10/26/1073481026.db2.gz MLBBTQGLQMEUMV-YJBOKZPZSA-N 0 3 428.537 0.727 20 0 ICADHN CN(CCNC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)CCOCCO ZINC001563360176 1073484439 /nfs/dbraw/zinc/48/44/39/1073484439.db2.gz FZTIMAQHIZFLHQ-UHFFFAOYSA-N 0 3 426.518 0.737 20 0 ICADHN Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001563384433 1073485170 /nfs/dbraw/zinc/48/51/70/1073485170.db2.gz NEHONTHMYXQNKZ-JKSUJKDBSA-N 0 3 449.556 0.634 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC(C(=O)NCCO)CC2)CC1 ZINC001563424229 1073487844 /nfs/dbraw/zinc/48/78/44/1073487844.db2.gz KBIPDKLSQCUUAG-UHFFFAOYSA-N 0 3 431.581 0.854 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCN(c4nncn4C)CC3)cc2)CC1 ZINC001563424410 1073487763 /nfs/dbraw/zinc/48/77/63/1073487763.db2.gz QGCDOWOWPKMRRI-UHFFFAOYSA-N 0 3 426.569 0.984 20 0 ICADHN CCN1CCN(Cc2ccc(CNC(=O)NCCCn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC001563424691 1073487875 /nfs/dbraw/zinc/48/78/75/1073487875.db2.gz ZWZMTCAZIPWWIQ-UHFFFAOYSA-N 0 3 428.537 0.976 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001563426041 1073487901 /nfs/dbraw/zinc/48/79/01/1073487901.db2.gz YQOIYYTUJVCOJG-BGYRXZFFSA-N 0 3 446.548 0.928 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001563426042 1073487966 /nfs/dbraw/zinc/48/79/66/1073487966.db2.gz YQOIYYTUJVCOJG-PMACEKPBSA-N 0 3 446.548 0.928 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CC1 ZINC001563426043 1073487717 /nfs/dbraw/zinc/48/77/17/1073487717.db2.gz YQOIYYTUJVCOJG-WOJBJXKFSA-N 0 3 446.548 0.928 20 0 ICADHN O=C(NCCCN1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001563469113 1073490961 /nfs/dbraw/zinc/49/09/61/1073490961.db2.gz FAHQHFVNAYCGGX-UHFFFAOYSA-N 0 3 432.550 0.874 20 0 ICADHN CN1CCN(CCCNC(=O)NC(C)(C)CNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001563487323 1073491016 /nfs/dbraw/zinc/49/10/16/1073491016.db2.gz BUFLKTHYADGLNU-GOSISDBHSA-N 0 3 425.599 0.992 20 0 ICADHN CN1CCN(CCCNC(=O)NC(C)(C)CNS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001563487324 1073490989 /nfs/dbraw/zinc/49/09/89/1073490989.db2.gz BUFLKTHYADGLNU-SFHVURJKSA-N 0 3 425.599 0.992 20 0 ICADHN CN(C)S(=O)(=O)N1CC(NC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001563488044 1073490846 /nfs/dbraw/zinc/49/08/46/1073490846.db2.gz SGJTVPHUAGLZEN-IBGZPJMESA-N 0 3 438.598 0.155 20 0 ICADHN CN(C)S(=O)(=O)N1CC(NC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001563488045 1073491045 /nfs/dbraw/zinc/49/10/45/1073491045.db2.gz SGJTVPHUAGLZEN-LJQANCHMSA-N 0 3 438.598 0.155 20 0 ICADHN Cn1ccnc1[C@](O)(CCNC(=O)N1CCC(N2CCN(C)CC2)CC1)C(F)(F)F ZINC001563546506 1073494276 /nfs/dbraw/zinc/49/42/76/1073494276.db2.gz FBRVHNBFUTXJNO-GOSISDBHSA-N 0 3 432.491 0.982 20 0 ICADHN Cn1ccnc1[C@@](O)(CCNC(=O)N1CCC(N2CCN(C)CC2)CC1)C(F)(F)F ZINC001563546508 1073494207 /nfs/dbraw/zinc/49/42/07/1073494207.db2.gz FBRVHNBFUTXJNO-SFHVURJKSA-N 0 3 432.491 0.982 20 0 ICADHN COCC(COC)N1CCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001563560115 1073495652 /nfs/dbraw/zinc/49/56/52/1073495652.db2.gz DTTACXZSKDFKCC-UHFFFAOYSA-N 0 3 433.597 0.923 20 0 ICADHN CN1CCN(Cc2ccc(CNC(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)cc2)CC1 ZINC001563560708 1073495573 /nfs/dbraw/zinc/49/55/73/1073495573.db2.gz JSPSBMFCEAFWHP-UHFFFAOYSA-N 0 3 440.552 0.671 20 0 ICADHN CN1CCN(Cc2ccc(CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc2)CC1 ZINC001563562305 1073495691 /nfs/dbraw/zinc/49/56/91/1073495691.db2.gz ZNVLUJWDAKBTKU-UHFFFAOYSA-N 0 3 445.611 0.291 20 0 ICADHN CN1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)cc2)CC1 ZINC001563566958 1073496259 /nfs/dbraw/zinc/49/62/59/1073496259.db2.gz VKLBBMUOKRHRQC-LEWJYISDSA-N 0 3 429.565 0.815 20 0 ICADHN CN1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)cc2)CC1 ZINC001563566959 1073496401 /nfs/dbraw/zinc/49/64/01/1073496401.db2.gz VKLBBMUOKRHRQC-NHCUHLMSSA-N 0 3 429.565 0.815 20 0 ICADHN CN1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)cc2)CC1 ZINC001563566960 1073496300 /nfs/dbraw/zinc/49/63/00/1073496300.db2.gz VKLBBMUOKRHRQC-RTWAWAEBSA-N 0 3 429.565 0.815 20 0 ICADHN CN1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)cc2)CC1 ZINC001563566961 1073496419 /nfs/dbraw/zinc/49/64/19/1073496419.db2.gz VKLBBMUOKRHRQC-SFTDATJTSA-N 0 3 429.565 0.815 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC001563567793 1073497464 /nfs/dbraw/zinc/49/74/64/1073497464.db2.gz ARJTWIDDZGRAAY-UHFFFAOYSA-N 0 3 430.553 0.934 20 0 ICADHN O=C(NCCN1CCN(Cc2ccccc2)CC1)NCC1(N2CCOCC2)CCOCC1 ZINC001563637608 1073501398 /nfs/dbraw/zinc/50/13/98/1073501398.db2.gz DNXPSQGBPDEDLQ-UHFFFAOYSA-N 0 3 445.608 0.985 20 0 ICADHN COc1cccc([C@@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)N2CCCC2)c1 ZINC001563644675 1073501325 /nfs/dbraw/zinc/50/13/25/1073501325.db2.gz SVTLBUAIBWFFEK-DENIHFKCSA-N 0 3 432.521 0.759 20 0 ICADHN COc1cccc([C@@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)N2CCCC2)c1 ZINC001563644676 1073501437 /nfs/dbraw/zinc/50/14/37/1073501437.db2.gz SVTLBUAIBWFFEK-KNQAVFIVSA-N 0 3 432.521 0.759 20 0 ICADHN COc1cccc([C@H](CNC(=O)NC[C@]23COCCN2C(=O)COC3)N2CCCC2)c1 ZINC001563644677 1073501569 /nfs/dbraw/zinc/50/15/69/1073501569.db2.gz SVTLBUAIBWFFEK-SIKLNZKXSA-N 0 3 432.521 0.759 20 0 ICADHN COc1cccc([C@H](CNC(=O)NC[C@@]23COCCN2C(=O)COC3)N2CCCC2)c1 ZINC001563644678 1073501346 /nfs/dbraw/zinc/50/13/46/1073501346.db2.gz SVTLBUAIBWFFEK-UGKGYDQZSA-N 0 3 432.521 0.759 20 0 ICADHN COCc1nc(CNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)n[nH]1 ZINC001563680391 1073503888 /nfs/dbraw/zinc/50/38/88/1073503888.db2.gz RHYCDGBHMODREA-UHFFFAOYSA-N 0 3 431.497 0.611 20 0 ICADHN CN1CCN(C)CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 ZINC001563680509 1073503849 /nfs/dbraw/zinc/50/38/49/1073503849.db2.gz VZFZRFQFLKACLI-UHFFFAOYSA-N 0 3 446.596 0.736 20 0 ICADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)NCc1nnc2n1CCNC2=O ZINC001563693740 1073503749 /nfs/dbraw/zinc/50/37/49/1073503749.db2.gz AFLCYESRHQVFPB-UHFFFAOYSA-N 0 3 440.552 0.419 20 0 ICADHN Cn1cc(CNC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC001563694188 1073503977 /nfs/dbraw/zinc/50/39/77/1073503977.db2.gz MSHRFFBMJCNPMU-UHFFFAOYSA-N 0 3 428.537 0.883 20 0 ICADHN CNC(=O)NC[C@H]1COCCN1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001563696088 1073504625 /nfs/dbraw/zinc/50/46/25/1073504625.db2.gz RBLMNHIENMGKBH-FQEVSTJZSA-N 0 3 432.569 0.928 20 0 ICADHN CNC(=O)NC[C@@H]1COCCN1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001563696089 1073504503 /nfs/dbraw/zinc/50/45/03/1073504503.db2.gz RBLMNHIENMGKBH-HXUWFJFHSA-N 0 3 432.569 0.928 20 0 ICADHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001563700571 1073504459 /nfs/dbraw/zinc/50/44/59/1073504459.db2.gz VRGLXMDXTLWNLX-HNNXBMFYSA-N 0 3 427.571 0.659 20 0 ICADHN C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001563700572 1073504327 /nfs/dbraw/zinc/50/43/27/1073504327.db2.gz VRGLXMDXTLWNLX-OAHLLOKOSA-N 0 3 427.571 0.659 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC001563728646 1073506396 /nfs/dbraw/zinc/50/63/96/1073506396.db2.gz HNXLCSFOZHIBBX-CYBMUJFWSA-N 0 3 440.342 0.940 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC001563728647 1073506515 /nfs/dbraw/zinc/50/65/15/1073506515.db2.gz HNXLCSFOZHIBBX-ZDUSSCGKSA-N 0 3 440.342 0.940 20 0 ICADHN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(CCN(C)C)C(=O)C3)cc2)C[C@H](C)O1 ZINC001563785772 1073510634 /nfs/dbraw/zinc/51/06/34/1073510634.db2.gz BQPNSJQLLQNGAR-HDICACEKSA-N 0 3 445.564 0.851 20 0 ICADHN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(CCN(C)C)C(=O)C3)cc2)C[C@@H](C)O1 ZINC001563785773 1073510481 /nfs/dbraw/zinc/51/04/81/1073510481.db2.gz BQPNSJQLLQNGAR-QZTJIDSGSA-N 0 3 445.564 0.851 20 0 ICADHN C[C@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(CCN(C)C)C(=O)C3)cc2)C[C@H](C)O1 ZINC001563785774 1073510524 /nfs/dbraw/zinc/51/05/24/1073510524.db2.gz BQPNSJQLLQNGAR-ROUUACIJSA-N 0 3 445.564 0.851 20 0 ICADHN CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001563825358 1073514045 /nfs/dbraw/zinc/51/40/45/1073514045.db2.gz WJDWUQXIHWGYBD-NRFANRHFSA-N 0 3 445.612 0.429 20 0 ICADHN CN1CCN(c2ncccc2CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC001563825359 1073514166 /nfs/dbraw/zinc/51/41/66/1073514166.db2.gz WJDWUQXIHWGYBD-OAQYLSRUSA-N 0 3 445.612 0.429 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001563864580 1073515606 /nfs/dbraw/zinc/51/56/06/1073515606.db2.gz DEARRGRPKCAEIK-KRWDZBQOSA-N 0 3 429.587 0.139 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001563864581 1073515378 /nfs/dbraw/zinc/51/53/78/1073515378.db2.gz DEARRGRPKCAEIK-QGZVFWFLSA-N 0 3 429.587 0.139 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001563864598 1073515436 /nfs/dbraw/zinc/51/54/36/1073515436.db2.gz DOBIZMBNELSDQE-DLBZAZTESA-N 0 3 441.573 0.864 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001563864599 1073515571 /nfs/dbraw/zinc/51/55/71/1073515571.db2.gz DOBIZMBNELSDQE-IAGOWNOFSA-N 0 3 441.573 0.864 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001563864600 1073515483 /nfs/dbraw/zinc/51/54/83/1073515483.db2.gz DOBIZMBNELSDQE-IRXDYDNUSA-N 0 3 441.573 0.864 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001563864601 1073515338 /nfs/dbraw/zinc/51/53/38/1073515338.db2.gz DOBIZMBNELSDQE-SJORKVTESA-N 0 3 441.573 0.864 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001563864834 1073516214 /nfs/dbraw/zinc/51/62/14/1073516214.db2.gz KJUHTULHPVZGQC-GVDBMIGSSA-N 0 3 441.573 0.456 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC001563865053 1073516150 /nfs/dbraw/zinc/51/61/50/1073516150.db2.gz PVHBJZZHWNFAFR-INIZCTEOSA-N 0 3 445.572 0.106 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC001563865054 1073516317 /nfs/dbraw/zinc/51/63/17/1073516317.db2.gz PVHBJZZHWNFAFR-MRXNPFEDSA-N 0 3 445.572 0.106 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865138 1073516107 /nfs/dbraw/zinc/51/61/07/1073516107.db2.gz SOVWREVHVBPMOP-CVEARBPZSA-N 0 3 438.550 0.463 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865139 1073516344 /nfs/dbraw/zinc/51/63/44/1073516344.db2.gz SOVWREVHVBPMOP-HOTGVXAUSA-N 0 3 438.550 0.463 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865140 1073516263 /nfs/dbraw/zinc/51/62/63/1073516263.db2.gz SOVWREVHVBPMOP-HZPDHXFCSA-N 0 3 438.550 0.463 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001563865141 1073516019 /nfs/dbraw/zinc/51/60/19/1073516019.db2.gz SOVWREVHVBPMOP-JKSUJKDBSA-N 0 3 438.550 0.463 20 0 ICADHN CCN1CCN(CC(C)(C)NC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001563887502 1073517770 /nfs/dbraw/zinc/51/77/70/1073517770.db2.gz QMYGAJJKNYRHIK-JOCHJYFZSA-N 0 3 430.553 0.957 20 0 ICADHN CCN1CCN(CC(C)(C)NC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001563887503 1073518009 /nfs/dbraw/zinc/51/80/09/1073518009.db2.gz QMYGAJJKNYRHIK-QFIPXVFZSA-N 0 3 430.553 0.957 20 0 ICADHN COCCN(C)CCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563893049 1073519028 /nfs/dbraw/zinc/51/90/28/1073519028.db2.gz QRVRGKOLNDWFLN-KRWDZBQOSA-N 0 3 441.573 0.818 20 0 ICADHN CC(=O)NCC(=O)N1CCCN(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC001563926407 1073522416 /nfs/dbraw/zinc/52/24/16/1073522416.db2.gz MOGCGQCXNPAIJV-UHFFFAOYSA-N 0 3 444.580 0.314 20 0 ICADHN CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2=O)C1 ZINC001563962011 1073525270 /nfs/dbraw/zinc/52/52/70/1073525270.db2.gz FDFYRYACBAJEOM-BFYDXBDKSA-N 0 3 437.541 0.369 20 0 ICADHN CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2=O)C1 ZINC001563962012 1073525355 /nfs/dbraw/zinc/52/53/55/1073525355.db2.gz FDFYRYACBAJEOM-HLLBOEOZSA-N 0 3 437.541 0.369 20 0 ICADHN CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2=O)C1 ZINC001563962013 1073525629 /nfs/dbraw/zinc/52/56/29/1073525629.db2.gz FDFYRYACBAJEOM-INMHGKMJSA-N 0 3 437.541 0.369 20 0 ICADHN CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2=O)C1 ZINC001563962014 1073525564 /nfs/dbraw/zinc/52/55/64/1073525564.db2.gz FDFYRYACBAJEOM-VYDXJSESSA-N 0 3 437.541 0.369 20 0 ICADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001563962068 1073525404 /nfs/dbraw/zinc/52/54/04/1073525404.db2.gz GOMANVOSQFSBIZ-KBPBESRZSA-N 0 3 430.502 0.357 20 0 ICADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001563962069 1073525597 /nfs/dbraw/zinc/52/55/97/1073525597.db2.gz GOMANVOSQFSBIZ-KGLIPLIRSA-N 0 3 430.502 0.357 20 0 ICADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001563962070 1073525532 /nfs/dbraw/zinc/52/55/32/1073525532.db2.gz GOMANVOSQFSBIZ-UONOGXRCSA-N 0 3 430.502 0.357 20 0 ICADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001563962071 1073525468 /nfs/dbraw/zinc/52/54/68/1073525468.db2.gz GOMANVOSQFSBIZ-ZIAGYGMSSA-N 0 3 430.502 0.357 20 0 ICADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962688 1073526140 /nfs/dbraw/zinc/52/61/40/1073526140.db2.gz WVTRHWAYGFUPBE-MOPGFXCFSA-N 0 3 437.566 0.211 20 0 ICADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962689 1073526218 /nfs/dbraw/zinc/52/62/18/1073526218.db2.gz WVTRHWAYGFUPBE-OALUTQOASA-N 0 3 437.566 0.211 20 0 ICADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962690 1073526244 /nfs/dbraw/zinc/52/62/44/1073526244.db2.gz WVTRHWAYGFUPBE-RBUKOAKNSA-N 0 3 437.566 0.211 20 0 ICADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563962691 1073526080 /nfs/dbraw/zinc/52/60/80/1073526080.db2.gz WVTRHWAYGFUPBE-RTBURBONSA-N 0 3 437.566 0.211 20 0 ICADHN NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001563968163 1073528266 /nfs/dbraw/zinc/52/82/66/1073528266.db2.gz AMRWWOOXTVTCCM-MOPGFXCFSA-N 0 3 430.553 0.524 20 0 ICADHN NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001563968164 1073528229 /nfs/dbraw/zinc/52/82/29/1073528229.db2.gz AMRWWOOXTVTCCM-OALUTQOASA-N 0 3 430.553 0.524 20 0 ICADHN NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001563968165 1073528551 /nfs/dbraw/zinc/52/85/51/1073528551.db2.gz AMRWWOOXTVTCCM-RBUKOAKNSA-N 0 3 430.553 0.524 20 0 ICADHN NC(=O)C1CCN(c2ncccc2CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001563968166 1073528438 /nfs/dbraw/zinc/52/84/38/1073528438.db2.gz AMRWWOOXTVTCCM-RTBURBONSA-N 0 3 430.553 0.524 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001563968471 1073528074 /nfs/dbraw/zinc/52/80/74/1073528074.db2.gz ILWHYJXMNVLHHB-HNNXBMFYSA-N 0 3 431.541 0.045 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001563968472 1073528174 /nfs/dbraw/zinc/52/81/74/1073528174.db2.gz ILWHYJXMNVLHHB-OAHLLOKOSA-N 0 3 431.541 0.045 20 0 ICADHN O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001564022202 1073531627 /nfs/dbraw/zinc/53/16/27/1073531627.db2.gz RRDUFWZZIXBWLP-AWEZNQCLSA-N 0 3 430.493 0.694 20 0 ICADHN O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001564022203 1073531411 /nfs/dbraw/zinc/53/14/11/1073531411.db2.gz RRDUFWZZIXBWLP-CQSZACIVSA-N 0 3 430.493 0.694 20 0 ICADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001564036905 1073532552 /nfs/dbraw/zinc/53/25/52/1073532552.db2.gz CPAOCWKZEHCLST-FGTMMUONSA-N 0 3 427.590 0.930 20 0 ICADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001564036906 1073532432 /nfs/dbraw/zinc/53/24/32/1073532432.db2.gz CPAOCWKZEHCLST-KURKYZTESA-N 0 3 427.590 0.930 20 0 ICADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001564036907 1073532011 /nfs/dbraw/zinc/53/20/11/1073532011.db2.gz CPAOCWKZEHCLST-KZNAEPCWSA-N 0 3 427.590 0.930 20 0 ICADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001564036908 1073532477 /nfs/dbraw/zinc/53/24/77/1073532477.db2.gz CPAOCWKZEHCLST-SQNIBIBYSA-N 0 3 427.590 0.930 20 0 ICADHN CCN1CCN(C[C@@H](C)CNC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001564037628 1073532371 /nfs/dbraw/zinc/53/23/71/1073532371.db2.gz PSLWKDGTCSQACA-KRWDZBQOSA-N 0 3 427.590 0.931 20 0 ICADHN CCN1CCN(C[C@H](C)CNC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001564037629 1073532050 /nfs/dbraw/zinc/53/20/50/1073532050.db2.gz PSLWKDGTCSQACA-QGZVFWFLSA-N 0 3 427.590 0.931 20 0 ICADHN C[C@H](CNC(=O)NCc1c(I)cnn1C)CN1CCN(C)CC1 ZINC001564037766 1073532093 /nfs/dbraw/zinc/53/20/93/1073532093.db2.gz RQKQAYDVINUVFJ-GFCCVEGCSA-N 0 3 434.326 0.707 20 0 ICADHN C[C@@H](CNC(=O)NCc1c(I)cnn1C)CN1CCN(C)CC1 ZINC001564037767 1073532338 /nfs/dbraw/zinc/53/23/38/1073532338.db2.gz RQKQAYDVINUVFJ-LBPRGKRZSA-N 0 3 434.326 0.707 20 0 ICADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1=O ZINC001564261598 1073542490 /nfs/dbraw/zinc/54/24/90/1073542490.db2.gz QAIMMOXNGFZWEI-GXTWGEPZSA-N 0 3 437.522 0.401 20 0 ICADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1=O ZINC001564261599 1073542719 /nfs/dbraw/zinc/54/27/19/1073542719.db2.gz QAIMMOXNGFZWEI-JSGCOSHPSA-N 0 3 437.522 0.401 20 0 ICADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1=O ZINC001564261600 1073542785 /nfs/dbraw/zinc/54/27/85/1073542785.db2.gz QAIMMOXNGFZWEI-OCCSQVGLSA-N 0 3 437.522 0.401 20 0 ICADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1=O ZINC001564261601 1073542573 /nfs/dbraw/zinc/54/25/73/1073542573.db2.gz QAIMMOXNGFZWEI-TZMCWYRMSA-N 0 3 437.522 0.401 20 0 ICADHN Cn1ccn2c(CCNC(=O)NCc3ccccc3CN3CCC(O)CC3)nnc2c1=O ZINC001564269213 1073543204 /nfs/dbraw/zinc/54/32/04/1073543204.db2.gz DDWXHLNQQBAQLM-UHFFFAOYSA-N 0 3 439.520 0.427 20 0 ICADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001564269496 1073543132 /nfs/dbraw/zinc/54/31/32/1073543132.db2.gz KJLKBDKSRNAWAG-UHFFFAOYSA-N 0 3 436.578 0.963 20 0 ICADHN O=C(NCCNS(=O)(=O)c1cccnc1)NCC1CCN(Cc2ccncc2)CC1 ZINC001564397863 1073549011 /nfs/dbraw/zinc/54/90/11/1073549011.db2.gz RDACLEMEZYAUEQ-UHFFFAOYSA-N 0 3 432.550 0.966 20 0 ICADHN CS(=O)(=O)N1CCC(CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001564499895 1073553541 /nfs/dbraw/zinc/55/35/41/1073553541.db2.gz QZLDWBSFHAZABQ-UHFFFAOYSA-N 0 3 438.594 0.984 20 0 ICADHN Cn1ncc(I)c1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001564643941 1073560259 /nfs/dbraw/zinc/56/02/59/1073560259.db2.gz MJJSUEBTKBAOKN-UHFFFAOYSA-N 0 3 434.326 0.850 20 0 ICADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001564647632 1073560183 /nfs/dbraw/zinc/56/01/83/1073560183.db2.gz HFIFFKJQFXAJSV-HNNXBMFYSA-N 0 3 432.493 0.484 20 0 ICADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001564647632 1073560173 /nfs/dbraw/zinc/56/01/73/1073560173.db2.gz HFIFFKJQFXAJSV-HNNXBMFYSA-N 0 3 432.493 0.484 20 0 ICADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001564647633 1073560289 /nfs/dbraw/zinc/56/02/89/1073560289.db2.gz HFIFFKJQFXAJSV-OAHLLOKOSA-N 0 3 432.493 0.484 20 0 ICADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001564647633 1073560282 /nfs/dbraw/zinc/56/02/82/1073560282.db2.gz HFIFFKJQFXAJSV-OAHLLOKOSA-N 0 3 432.493 0.484 20 0 ICADHN CN(CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)S(=O)(=O)c1ccc(F)cc1 ZINC001564654646 1073560948 /nfs/dbraw/zinc/56/09/48/1073560948.db2.gz GKDWOFBIXIXBDF-MSOLQXFVSA-N 0 3 428.530 0.687 20 0 ICADHN CN(CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)S(=O)(=O)c1ccc(F)cc1 ZINC001564654647 1073560695 /nfs/dbraw/zinc/56/06/95/1073560695.db2.gz GKDWOFBIXIXBDF-QZTJIDSGSA-N 0 3 428.530 0.687 20 0 ICADHN CN(CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)S(=O)(=O)c1ccc(F)cc1 ZINC001564654648 1073561440 /nfs/dbraw/zinc/56/14/40/1073561440.db2.gz GKDWOFBIXIXBDF-ROUUACIJSA-N 0 3 428.530 0.687 20 0 ICADHN CN(CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)S(=O)(=O)c1ccc(F)cc1 ZINC001564654649 1073561571 /nfs/dbraw/zinc/56/15/71/1073561571.db2.gz GKDWOFBIXIXBDF-ZWKOTPCHSA-N 0 3 428.530 0.687 20 0 ICADHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC001564718864 1073564245 /nfs/dbraw/zinc/56/42/45/1073564245.db2.gz TZAPGTAVGJBCGI-AGIUHOORSA-N 0 3 425.559 0.825 20 0 ICADHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC001564718865 1073564374 /nfs/dbraw/zinc/56/43/74/1073564374.db2.gz TZAPGTAVGJBCGI-FRRDWIJNSA-N 0 3 425.559 0.825 20 0 ICADHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC001564718866 1073564295 /nfs/dbraw/zinc/56/42/95/1073564295.db2.gz TZAPGTAVGJBCGI-JHJVBQTASA-N 0 3 425.559 0.825 20 0 ICADHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC001564718867 1073564199 /nfs/dbraw/zinc/56/41/99/1073564199.db2.gz TZAPGTAVGJBCGI-UPJWGTAASA-N 0 3 425.559 0.825 20 0 ICADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)CCCN3CCN(C)CC3)C2)cc1 ZINC001564720075 1073564739 /nfs/dbraw/zinc/56/47/39/1073564739.db2.gz UKDRILZYZQHZQO-UHFFFAOYSA-N 0 3 439.582 0.347 20 0 ICADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N[C@H]3CCCN(CCCO)C3)C2)cc1 ZINC001564720368 1073564709 /nfs/dbraw/zinc/56/47/09/1073564709.db2.gz ZUBLXVUJSAHUAM-HNNXBMFYSA-N 0 3 426.539 0.214 20 0 ICADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N[C@@H]3CCCN(CCCO)C3)C2)cc1 ZINC001564720369 1073564875 /nfs/dbraw/zinc/56/48/75/1073564875.db2.gz ZUBLXVUJSAHUAM-OAHLLOKOSA-N 0 3 426.539 0.214 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC001564736680 1073565440 /nfs/dbraw/zinc/56/54/40/1073565440.db2.gz ORVLNRVNTQZANJ-UHFFFAOYSA-N 0 3 437.566 0.491 20 0 ICADHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC001564795841 1071761574 /nfs/dbraw/zinc/76/15/74/1071761574.db2.gz RGHPGNBXCWTANG-APWZRJJASA-N 0 3 438.594 0.981 20 0 ICADHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC001564795842 1071761644 /nfs/dbraw/zinc/76/16/44/1071761644.db2.gz RGHPGNBXCWTANG-LPHOPBHVSA-N 0 3 438.594 0.981 20 0 ICADHN CC(C)Oc1ccc([C@@H](CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)N(C)C)cc1 ZINC001564868461 1071765285 /nfs/dbraw/zinc/76/52/85/1071765285.db2.gz FCDBRNHVCIVCOB-GOSISDBHSA-N 0 3 427.571 0.866 20 0 ICADHN CC(C)Oc1ccc([C@H](CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)N(C)C)cc1 ZINC001564868462 1071765343 /nfs/dbraw/zinc/76/53/43/1071765343.db2.gz FCDBRNHVCIVCOB-SFHVURJKSA-N 0 3 427.571 0.866 20 0 ICADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC001564898367 1071769319 /nfs/dbraw/zinc/76/93/19/1071769319.db2.gz PQLRLHMZKUPBAZ-JOCHJYFZSA-N 0 3 445.608 0.983 20 0 ICADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC001564898368 1071769684 /nfs/dbraw/zinc/76/96/84/1071769684.db2.gz PQLRLHMZKUPBAZ-QFIPXVFZSA-N 0 3 445.608 0.983 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)CC1 ZINC001564906122 1071769985 /nfs/dbraw/zinc/76/99/85/1071769985.db2.gz NXVCJSSYEZYIEC-KRWDZBQOSA-N 0 3 426.558 0.598 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC001564906123 1071770123 /nfs/dbraw/zinc/77/01/23/1071770123.db2.gz NXVCJSSYEZYIEC-QGZVFWFLSA-N 0 3 426.558 0.598 20 0 ICADHN O=C(CN1CCCC1)N1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001564910664 1071770699 /nfs/dbraw/zinc/77/06/99/1071770699.db2.gz SUVFCTBTRRZMSZ-UHFFFAOYSA-N 0 3 429.521 0.957 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001564963773 1071774049 /nfs/dbraw/zinc/77/40/49/1071774049.db2.gz 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CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001565310866 1071816310 /nfs/dbraw/zinc/81/63/10/1071816310.db2.gz CVTZZSDGMRESNM-HXUWFJFHSA-N 0 3 429.562 0.674 20 0 ICADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001565331794 1071820254 /nfs/dbraw/zinc/82/02/54/1071820254.db2.gz TVBSYYWTEVEJCZ-IBGZPJMESA-N 0 3 445.564 0.704 20 0 ICADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001565331795 1071820335 /nfs/dbraw/zinc/82/03/35/1071820335.db2.gz TVBSYYWTEVEJCZ-LJQANCHMSA-N 0 3 445.564 0.704 20 0 ICADHN CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC001565332704 1071821157 /nfs/dbraw/zinc/82/11/57/1071821157.db2.gz FFUJIEQZSQSNER-UHFFFAOYSA-N 0 3 425.599 0.857 20 0 ICADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCN2Cc3ccccc3OCC2=O)CC1 ZINC001565337225 1071822308 /nfs/dbraw/zinc/82/23/08/1071822308.db2.gz SFUYRTVWBVOQLX-UHFFFAOYSA-N 0 3 429.521 0.357 20 0 ICADHN C[C@@H](CNC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)N1CCN(C)CC1 ZINC001565338064 1071822511 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1071846149 /nfs/dbraw/zinc/84/61/49/1071846149.db2.gz WBYWOLOBXPWQJJ-OAHLLOKOSA-N 0 3 440.591 0.354 20 0 ICADHN CN(C(=O)c1ccc2n[nH]c(=S)n2c1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001565595684 1071851158 /nfs/dbraw/zinc/85/11/58/1071851158.db2.gz WLBPUHSRDYXHRZ-UHFFFAOYSA-N 0 3 431.566 0.328 20 0 ICADHN COC(=O)C1CCN(CCCNC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001565615724 1071853784 /nfs/dbraw/zinc/85/37/84/1071853784.db2.gz KOIAZUUNGJNAFA-UHFFFAOYSA-N 0 3 426.535 0.386 20 0 ICADHN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001565615861 1071854089 /nfs/dbraw/zinc/85/40/89/1071854089.db2.gz PMQMZUPZAQGYMN-HNNXBMFYSA-N 0 3 429.514 0.834 20 0 ICADHN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001565615862 1071854033 /nfs/dbraw/zinc/85/40/33/1071854033.db2.gz PMQMZUPZAQGYMN-OAHLLOKOSA-N 0 3 429.514 0.834 20 0 ICADHN CCN1CCN(CCNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 ZINC001565618094 1071854073 /nfs/dbraw/zinc/85/40/73/1071854073.db2.gz KVJDNHICISHHKI-OXQOHEQNSA-N 0 3 444.598 0.022 20 0 ICADHN CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001565618377 1071854707 /nfs/dbraw/zinc/85/47/07/1071854707.db2.gz VHDQACUUKJTBNA-AWEZNQCLSA-N 0 3 447.399 0.870 20 0 ICADHN CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001565618378 1071854781 /nfs/dbraw/zinc/85/47/81/1071854781.db2.gz VHDQACUUKJTBNA-CQSZACIVSA-N 0 3 447.399 0.870 20 0 ICADHN CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001565618388 1071854731 /nfs/dbraw/zinc/85/47/31/1071854731.db2.gz VKIXEBLGZWBBJZ-HNNXBMFYSA-N 0 3 425.555 0.066 20 0 ICADHN CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001565618389 1071854646 /nfs/dbraw/zinc/85/46/46/1071854646.db2.gz VKIXEBLGZWBBJZ-OAHLLOKOSA-N 0 3 425.555 0.066 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1 ZINC001565642516 1071860410 /nfs/dbraw/zinc/86/04/10/1071860410.db2.gz HTPSARQTRXIXOF-UHFFFAOYSA-N 0 3 426.539 0.307 20 0 ICADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 ZINC001565642625 1071860747 /nfs/dbraw/zinc/86/07/47/1071860747.db2.gz LZPRPEXGZUZJIY-UHFFFAOYSA-N 0 3 434.537 0.816 20 0 ICADHN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001565642800 1071860516 /nfs/dbraw/zinc/86/05/16/1071860516.db2.gz QGJUKNRVVAMFTE-INIZCTEOSA-N 0 3 428.530 0.455 20 0 ICADHN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001565642801 1071860677 /nfs/dbraw/zinc/86/06/77/1071860677.db2.gz QGJUKNRVVAMFTE-MRXNPFEDSA-N 0 3 428.530 0.455 20 0 ICADHN CN(C)CCN(Cc1ccccn1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565667059 1071864228 /nfs/dbraw/zinc/86/42/28/1071864228.db2.gz PDPGRGBXOKWGNG-GOSISDBHSA-N 0 3 440.953 0.965 20 0 ICADHN CN(C)CCN(Cc1ccccn1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565667060 1071864234 /nfs/dbraw/zinc/86/42/34/1071864234.db2.gz PDPGRGBXOKWGNG-SFHVURJKSA-N 0 3 440.953 0.965 20 0 ICADHN CC1(C)CN(C2(CNC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CCCCC2)CCO1 ZINC001565685552 1071864637 /nfs/dbraw/zinc/86/46/37/1071864637.db2.gz DFYBFODPIHFXAG-UHFFFAOYSA-N 0 3 435.525 0.368 20 0 ICADHN O=C(CNS(=O)(=O)c1cccnc1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001565727584 1071869147 /nfs/dbraw/zinc/86/91/47/1071869147.db2.gz HPRLXNCHWGFCCK-UHFFFAOYSA-N 0 3 431.518 0.824 20 0 ICADHN CN(C)CCn1nccc1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001565768864 1071871020 /nfs/dbraw/zinc/87/10/20/1071871020.db2.gz JESFBABMSYIJMX-UHFFFAOYSA-N 0 3 425.477 0.873 20 0 ICADHN O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001565776547 1071872404 /nfs/dbraw/zinc/87/24/04/1071872404.db2.gz KRFRMHUAFQMQOA-UHFFFAOYSA-N 0 3 426.521 0.523 20 0 ICADHN CS(=O)(=O)Cc1nc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)co1 ZINC001565776550 1071872178 /nfs/dbraw/zinc/87/21/78/1071872178.db2.gz KRVNOGNIAGHPRR-UHFFFAOYSA-N 0 3 434.518 0.975 20 0 ICADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565777471 1071872379 /nfs/dbraw/zinc/87/23/79/1071872379.db2.gz NPBVXNCUXPKADD-KRWDZBQOSA-N 0 3 432.974 0.075 20 0 ICADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001565777472 1071872469 /nfs/dbraw/zinc/87/24/69/1071872469.db2.gz NPBVXNCUXPKADD-QGZVFWFLSA-N 0 3 432.974 0.075 20 0 ICADHN COCCN1CC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001565783406 1071872928 /nfs/dbraw/zinc/87/29/28/1071872928.db2.gz XVSVVISQCWSCJF-HNNXBMFYSA-N 0 3 427.523 0.353 20 0 ICADHN COCCN1CC[C@@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001565783407 1071873123 /nfs/dbraw/zinc/87/31/23/1071873123.db2.gz XVSVVISQCWSCJF-OAHLLOKOSA-N 0 3 427.523 0.353 20 0 ICADHN NS(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC001565908865 1071877950 /nfs/dbraw/zinc/87/79/50/1071877950.db2.gz JYZBTMAFCBCMFQ-HNNXBMFYSA-N 0 3 428.530 0.701 20 0 ICADHN NS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC001565908866 1071878073 /nfs/dbraw/zinc/87/80/73/1071878073.db2.gz JYZBTMAFCBCMFQ-OAHLLOKOSA-N 0 3 428.530 0.701 20 0 ICADHN CCCN1CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001566044148 1071885451 /nfs/dbraw/zinc/88/54/51/1071885451.db2.gz OYSXONNAIJCFPS-KRWDZBQOSA-N 0 3 444.598 0.954 20 0 ICADHN CCCN1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001566044149 1071885286 /nfs/dbraw/zinc/88/52/86/1071885286.db2.gz OYSXONNAIJCFPS-QGZVFWFLSA-N 0 3 444.598 0.954 20 0 ICADHN CC(=O)c1cn(CC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)nn1 ZINC001566134393 1071887951 /nfs/dbraw/zinc/88/79/51/1071887951.db2.gz ZEUOGVBIWBKDDY-UHFFFAOYSA-N 0 3 426.521 0.968 20 0 ICADHN COCCNC(=O)Cn1cc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cn1 ZINC001566158650 1071889312 /nfs/dbraw/zinc/88/93/12/1071889312.db2.gz BWRNZACFAXWBAW-UHFFFAOYSA-N 0 3 429.481 0.515 20 0 ICADHN CN(C)CCSc1nc(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC001566216853 1071893858 /nfs/dbraw/zinc/89/38/58/1071893858.db2.gz DDIHPBYORSISDG-HNNXBMFYSA-N 0 3 434.653 0.917 20 0 ICADHN CN(C)CCSc1nc(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC001566216854 1071893799 /nfs/dbraw/zinc/89/37/99/1071893799.db2.gz DDIHPBYORSISDG-OAHLLOKOSA-N 0 3 434.653 0.917 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC001566418506 1071906106 /nfs/dbraw/zinc/90/61/06/1071906106.db2.gz XLIMAJCNBXLMJK-HLIPFELVSA-N 0 3 438.594 0.444 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC001566418507 1071906034 /nfs/dbraw/zinc/90/60/34/1071906034.db2.gz XLIMAJCNBXLMJK-MBOZVWFJSA-N 0 3 438.594 0.444 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC001566418508 1071906123 /nfs/dbraw/zinc/90/61/23/1071906123.db2.gz XLIMAJCNBXLMJK-QKLQHJQFSA-N 0 3 438.594 0.444 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC001566418509 1071906073 /nfs/dbraw/zinc/90/60/73/1071906073.db2.gz XLIMAJCNBXLMJK-SQGPQFPESA-N 0 3 438.594 0.444 20 0 ICADHN CN1CCn2ncc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2S1(=O)=O ZINC001566448312 1071908048 /nfs/dbraw/zinc/90/80/48/1071908048.db2.gz RZBQDDWAGIURHO-AEFFLSMTSA-N 0 3 433.534 0.130 20 0 ICADHN CN1CCn2ncc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2S1(=O)=O ZINC001566448313 1071908170 /nfs/dbraw/zinc/90/81/70/1071908170.db2.gz RZBQDDWAGIURHO-FUHWJXTLSA-N 0 3 433.534 0.130 20 0 ICADHN CN1CCn2ncc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2S1(=O)=O ZINC001566448314 1071908152 /nfs/dbraw/zinc/90/81/52/1071908152.db2.gz RZBQDDWAGIURHO-SJLPKXTDSA-N 0 3 433.534 0.130 20 0 ICADHN CN1CCn2ncc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2S1(=O)=O ZINC001566448315 1071908062 /nfs/dbraw/zinc/90/80/62/1071908062.db2.gz RZBQDDWAGIURHO-WMZOPIPTSA-N 0 3 433.534 0.130 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673173 1071912517 /nfs/dbraw/zinc/91/25/17/1071912517.db2.gz AXDNVFAORNDYQG-DLBZAZTESA-N 0 3 432.525 0.967 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673174 1071912474 /nfs/dbraw/zinc/91/24/74/1071912474.db2.gz AXDNVFAORNDYQG-IAGOWNOFSA-N 0 3 432.525 0.967 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673175 1071912600 /nfs/dbraw/zinc/91/26/00/1071912600.db2.gz AXDNVFAORNDYQG-IRXDYDNUSA-N 0 3 432.525 0.967 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001566673176 1071912686 /nfs/dbraw/zinc/91/26/86/1071912686.db2.gz AXDNVFAORNDYQG-SJORKVTESA-N 0 3 432.525 0.967 20 0 ICADHN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)CC2=O)cc1 ZINC001566673370 1071912490 /nfs/dbraw/zinc/91/24/90/1071912490.db2.gz GYXAQICEBXCZLQ-FXAWDEMLSA-N 0 3 441.532 0.763 20 0 ICADHN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2=O)cc1 ZINC001566673371 1071912623 /nfs/dbraw/zinc/91/26/23/1071912623.db2.gz GYXAQICEBXCZLQ-PXNSSMCTSA-N 0 3 441.532 0.763 20 0 ICADHN CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2=O)cc1 ZINC001566673372 1071912662 /nfs/dbraw/zinc/91/26/62/1071912662.db2.gz GYXAQICEBXCZLQ-XLIONFOSSA-N 0 3 441.532 0.763 20 0 ICADHN CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)CC2=O)cc1 ZINC001566673373 1071912553 /nfs/dbraw/zinc/91/25/53/1071912553.db2.gz GYXAQICEBXCZLQ-YLJYHZDGSA-N 0 3 441.532 0.763 20 0 ICADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673394 1071912503 /nfs/dbraw/zinc/91/25/03/1071912503.db2.gz HPRKZPKGVNTLEV-BBWFWOEESA-N 0 3 426.558 0.615 20 0 ICADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673395 1071912612 /nfs/dbraw/zinc/91/26/12/1071912612.db2.gz HPRKZPKGVNTLEV-GVDBMIGSSA-N 0 3 426.558 0.615 20 0 ICADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673396 1071912673 /nfs/dbraw/zinc/91/26/73/1071912673.db2.gz HPRKZPKGVNTLEV-ULQDDVLXSA-N 0 3 426.558 0.615 20 0 ICADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001566673397 1071912539 /nfs/dbraw/zinc/91/25/39/1071912539.db2.gz HPRKZPKGVNTLEV-YESZJQIVSA-N 0 3 426.558 0.615 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001566673911 1071912639 /nfs/dbraw/zinc/91/26/39/1071912639.db2.gz WZVUYIRKTOKFQN-FQEVSTJZSA-N 0 3 448.589 0.924 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001566673912 1071912587 /nfs/dbraw/zinc/91/25/87/1071912587.db2.gz WZVUYIRKTOKFQN-HXUWFJFHSA-N 0 3 448.589 0.924 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)ccc2[nH]c1=O ZINC001566959760 1071917705 /nfs/dbraw/zinc/91/77/05/1071917705.db2.gz ATKQNFKTARVKRB-UHFFFAOYSA-N 0 3 449.577 0.639 20 0 ICADHN CN1CCC(CCO)(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001567187141 1071922371 /nfs/dbraw/zinc/92/23/71/1071922371.db2.gz DCPHQTNOLIMRQF-KRWDZBQOSA-N 0 3 425.551 0.721 20 0 ICADHN CN1CCC(CCO)(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC001567187142 1071922323 /nfs/dbraw/zinc/92/23/23/1071922323.db2.gz DCPHQTNOLIMRQF-QGZVFWFLSA-N 0 3 425.551 0.721 20 0 ICADHN CC(C)NS(=O)(=O)NCCNC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001567547759 1071929360 /nfs/dbraw/zinc/92/93/60/1071929360.db2.gz OKBKLXQRFIXDAR-UHFFFAOYSA-N 0 3 431.990 0.801 20 0 ICADHN O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc(F)n1 ZINC001567597386 1071930666 /nfs/dbraw/zinc/93/06/66/1071930666.db2.gz YVWKVACAAZRJNI-HKUYNNGSSA-N 0 3 430.480 0.719 20 0 ICADHN O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc(F)n1 ZINC001567597387 1071930790 /nfs/dbraw/zinc/93/07/90/1071930790.db2.gz YVWKVACAAZRJNI-MJGOQNOKSA-N 0 3 430.480 0.719 20 0 ICADHN CCCN1CCN(c2ccc(NC(=O)CNS(=O)(=O)N(C)C)c(OCC)c2)CC1 ZINC001567686736 1071932805 /nfs/dbraw/zinc/93/28/05/1071932805.db2.gz SHFWMPFDANCEID-UHFFFAOYSA-N 0 3 427.571 0.952 20 0 ICADHN CN1CCN(CCC(C)(C)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001567741796 1071933614 /nfs/dbraw/zinc/93/36/14/1071933614.db2.gz QBZAZJXTLRLEBI-KRWDZBQOSA-N 0 3 437.972 0.846 20 0 ICADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001567741797 1071933729 /nfs/dbraw/zinc/93/37/29/1071933729.db2.gz QBZAZJXTLRLEBI-QGZVFWFLSA-N 0 3 437.972 0.846 20 0 ICADHN COC[C@@]1(C(=O)N[C@H](C)CCN2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001567821610 1071935685 /nfs/dbraw/zinc/93/56/85/1071935685.db2.gz RYAQCDCVMQSLQY-DYESRHJHSA-N 0 3 428.574 0.781 20 0 ICADHN COC[C@@]1(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001567821611 1071935599 /nfs/dbraw/zinc/93/55/99/1071935599.db2.gz RYAQCDCVMQSLQY-LAUBAEHRSA-N 0 3 428.574 0.781 20 0 ICADHN COC[C@]1(C(=O)N[C@H](C)CCN2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001567821612 1071935559 /nfs/dbraw/zinc/93/55/59/1071935559.db2.gz RYAQCDCVMQSLQY-UTKZUKDTSA-N 0 3 428.574 0.781 20 0 ICADHN COC[C@]1(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001567821613 1071935648 /nfs/dbraw/zinc/93/56/48/1071935648.db2.gz RYAQCDCVMQSLQY-UWJYYQICSA-N 0 3 428.574 0.781 20 0 ICADHN CCN1CCN(c2cccc(NC(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)c2)CC1 ZINC001567841599 1071935637 /nfs/dbraw/zinc/93/56/37/1071935637.db2.gz FMDFONYZGFMJSH-VAMGGRTRSA-N 0 3 426.521 0.691 20 0 ICADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929563 1071937519 /nfs/dbraw/zinc/93/75/19/1071937519.db2.gz JEMYVFIGHMDPNV-HKUYNNGSSA-N 0 3 427.567 0.364 20 0 ICADHN CCN(CCO)CCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929564 1071937545 /nfs/dbraw/zinc/93/75/45/1071937545.db2.gz JEMYVFIGHMDPNV-IEBWSBKVSA-N 0 3 427.567 0.364 20 0 ICADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929565 1071937634 /nfs/dbraw/zinc/93/76/34/1071937634.db2.gz JEMYVFIGHMDPNV-MJGOQNOKSA-N 0 3 427.567 0.364 20 0 ICADHN CCN(CCO)CCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC001567929566 1071937681 /nfs/dbraw/zinc/93/76/81/1071937681.db2.gz JEMYVFIGHMDPNV-PKOBYXMFSA-N 0 3 427.567 0.364 20 0 ICADHN COC(=O)C1(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCS(=O)(=O)CC1 ZINC001568088566 1071941209 /nfs/dbraw/zinc/94/12/09/1071941209.db2.gz STESXHHWCFYHKE-UHFFFAOYSA-N 0 3 438.506 0.154 20 0 ICADHN NC(=O)c1cn(CCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(=O)[nH]c1=O ZINC001568582269 1071951881 /nfs/dbraw/zinc/95/18/81/1071951881.db2.gz SVVTVOIWCAQRRN-UHFFFAOYSA-N 0 3 431.415 0.359 20 0 ICADHN Cn1cc([C@@H]2[C@@H](C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001568585082 1071951723 /nfs/dbraw/zinc/95/17/23/1071951723.db2.gz GFDLWAIFBPJINQ-SWHNLWLKSA-N 0 3 443.470 0.832 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CCN(C)C[C@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691127 1071953277 /nfs/dbraw/zinc/95/32/77/1071953277.db2.gz WVOUFWHWVQVECM-FGSXEWAUSA-N 0 3 440.504 0.962 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CCN(C)C[C@@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691128 1071953422 /nfs/dbraw/zinc/95/34/22/1071953422.db2.gz WVOUFWHWVQVECM-HMFYCAOWSA-N 0 3 440.504 0.962 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CCN(C)C[C@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691129 1071953287 /nfs/dbraw/zinc/95/32/87/1071953287.db2.gz WVOUFWHWVQVECM-SPEDKVCISA-N 0 3 440.504 0.962 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CCN(C)C[C@@H]3c3cnn(C)c3)C2=O)cc1 ZINC001568691130 1071953325 /nfs/dbraw/zinc/95/33/25/1071953325.db2.gz WVOUFWHWVQVECM-SVMVAKDDSA-N 0 3 440.504 0.962 20 0 ICADHN C[C@@H](NC(=O)CCC(=O)N[C@H](CO)CN(C)C)C(=O)c1ccc(Br)cc1 ZINC001568701156 1071953999 /nfs/dbraw/zinc/95/39/99/1071953999.db2.gz HDVPTZUBVYMSDG-DOMZBBRYSA-N 0 3 428.327 0.955 20 0 ICADHN C[C@@H](NC(=O)CCC(=O)N[C@@H](CO)CN(C)C)C(=O)c1ccc(Br)cc1 ZINC001568701157 1071953868 /nfs/dbraw/zinc/95/38/68/1071953868.db2.gz HDVPTZUBVYMSDG-IUODEOHRSA-N 0 3 428.327 0.955 20 0 ICADHN C[C@H](NC(=O)CCC(=O)N[C@@H](CO)CN(C)C)C(=O)c1ccc(Br)cc1 ZINC001568701158 1071954008 /nfs/dbraw/zinc/95/40/08/1071954008.db2.gz HDVPTZUBVYMSDG-SWLSCSKDSA-N 0 3 428.327 0.955 20 0 ICADHN C[C@H](NC(=O)CCC(=O)N[C@H](CO)CN(C)C)C(=O)c1ccc(Br)cc1 ZINC001568701159 1071953947 /nfs/dbraw/zinc/95/39/47/1071953947.db2.gz HDVPTZUBVYMSDG-WFASDCNBSA-N 0 3 428.327 0.955 20 0 ICADHN Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@H](CO)CN(C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701186 1071953903 /nfs/dbraw/zinc/95/39/03/1071953903.db2.gz HYTOOHUVQIEVDU-CVEARBPZSA-N 0 3 449.577 0.583 20 0 ICADHN Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@H](CO)CN(C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701187 1071953978 /nfs/dbraw/zinc/95/39/78/1071953978.db2.gz HYTOOHUVQIEVDU-HOTGVXAUSA-N 0 3 449.577 0.583 20 0 ICADHN Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@@H](CO)CN(C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701188 1071953916 /nfs/dbraw/zinc/95/39/16/1071953916.db2.gz HYTOOHUVQIEVDU-HZPDHXFCSA-N 0 3 449.577 0.583 20 0 ICADHN Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@@H](CO)CN(C)C)c(=O)n(-c2ccccc2)n1C ZINC001568701189 1071954021 /nfs/dbraw/zinc/95/40/21/1071954021.db2.gz HYTOOHUVQIEVDU-JKSUJKDBSA-N 0 3 449.577 0.583 20 0 ICADHN O=C(CNS(=O)(=O)c1cccc(Br)c1)N[C@H](CO)CN1CCCCC1 ZINC001568918986 1071960737 /nfs/dbraw/zinc/96/07/37/1071960737.db2.gz ZPQRZUMEEXUQAY-AWEZNQCLSA-N 0 3 434.356 0.690 20 0 ICADHN O=C(CNS(=O)(=O)c1cccc(Br)c1)N[C@@H](CO)CN1CCCCC1 ZINC001568918987 1071960814 /nfs/dbraw/zinc/96/08/14/1071960814.db2.gz ZPQRZUMEEXUQAY-CQSZACIVSA-N 0 3 434.356 0.690 20 0 ICADHN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCCN1CCCCC1 ZINC001569055273 1071968178 /nfs/dbraw/zinc/96/81/78/1071968178.db2.gz PAHDMEIFVKWOHV-INIZCTEOSA-N 0 3 430.505 0.529 20 0 ICADHN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCCN1CCCCC1 ZINC001569055274 1071968187 /nfs/dbraw/zinc/96/81/87/1071968187.db2.gz PAHDMEIFVKWOHV-MRXNPFEDSA-N 0 3 430.505 0.529 20 0 ICADHN CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC001569057063 1071968168 /nfs/dbraw/zinc/96/81/68/1071968168.db2.gz BBCDJEIDGVRNKR-UHFFFAOYSA-N 0 3 444.579 0.435 20 0 ICADHN COc1cccc(/C=C(/C(=O)NCC(=O)NCCN2CCCCC2)n2nnnc2C)c1 ZINC001569057191 1071968154 /nfs/dbraw/zinc/96/81/54/1071968154.db2.gz HYXGNKIRBNLWCP-RGEXLXHISA-N 0 3 427.509 0.707 20 0 ICADHN COc1cccc(/C=C(\C(=O)NCC(=O)NCCN2CCCCC2)n2nnnc2C)c1 ZINC001569057192 1071968086 /nfs/dbraw/zinc/96/80/86/1071968086.db2.gz HYXGNKIRBNLWCP-XMHGGMMESA-N 0 3 427.509 0.707 20 0 ICADHN Cc1c(C(=O)NCC(=O)NCCN2CCCCC2)nnn1-c1ccc2c(c1)OCCO2 ZINC001569057234 1071968114 /nfs/dbraw/zinc/96/81/14/1071968114.db2.gz JAQFKFJEPBPRMC-UHFFFAOYSA-N 0 3 428.493 0.679 20 0 ICADHN CN(CCCC(=O)NCC(=O)NCCN1CCCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC001569057249 1071968104 /nfs/dbraw/zinc/96/81/04/1071968104.db2.gz JMVSHYHRBHTCAT-UHFFFAOYSA-N 0 3 449.577 0.566 20 0 ICADHN O=C(CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)NCC[NH+]1CCCCC1 ZINC001569057272 1071968073 /nfs/dbraw/zinc/96/80/73/1071968073.db2.gz KKIAKPFLONWNSX-UHFFFAOYSA-N 0 3 444.504 0.737 20 0 ICADHN O=C(CNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1)NCCN1CCCCC1 ZINC001569057392 1071968145 /nfs/dbraw/zinc/96/81/45/1071968145.db2.gz PAISJVMFRSQITO-IBGZPJMESA-N 0 3 432.521 0.742 20 0 ICADHN O=C(CNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1)NCCN1CCCCC1 ZINC001569057393 1071968209 /nfs/dbraw/zinc/96/82/09/1071968209.db2.gz PAISJVMFRSQITO-LJQANCHMSA-N 0 3 432.521 0.742 20 0 ICADHN NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001569057400 1071968124 /nfs/dbraw/zinc/96/81/24/1071968124.db2.gz PJBXHGLNPKOEFI-INIZCTEOSA-N 0 3 437.928 0.032 20 0 ICADHN NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001569057401 1071968204 /nfs/dbraw/zinc/96/82/04/1071968204.db2.gz PJBXHGLNPKOEFI-MRXNPFEDSA-N 0 3 437.928 0.032 20 0 ICADHN O=C(CNC(=O)c1ccc(-n2cc(Br)cn2)nn1)NCCN1CCCCC1 ZINC001569057515 1071968719 /nfs/dbraw/zinc/96/87/19/1071968719.db2.gz UXJRZRGMWKVCEG-UHFFFAOYSA-N 0 3 436.314 0.757 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001569057536 1071968547 /nfs/dbraw/zinc/96/85/47/1071968547.db2.gz VMFZBJHEVKTVSM-NRFANRHFSA-N 0 3 426.558 0.857 20 0 ICADHN CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001569057537 1071968685 /nfs/dbraw/zinc/96/86/85/1071968685.db2.gz VMFZBJHEVKTVSM-OAQYLSRUSA-N 0 3 426.558 0.857 20 0 ICADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC001569161857 1071972218 /nfs/dbraw/zinc/97/22/18/1071972218.db2.gz GJBQXKJSVPSTBE-LLUDDFSJSA-N 0 3 425.533 0.891 20 0 ICADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC001569161858 1071972246 /nfs/dbraw/zinc/97/22/46/1071972246.db2.gz GJBQXKJSVPSTBE-QYRPDUKASA-N 0 3 425.533 0.891 20 0 ICADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC001569248239 1071975453 /nfs/dbraw/zinc/97/54/53/1071975453.db2.gz DHKJPPURFSOTFJ-INIZCTEOSA-N 0 3 427.523 0.105 20 0 ICADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC001569248240 1071975418 /nfs/dbraw/zinc/97/54/18/1071975418.db2.gz DHKJPPURFSOTFJ-MRXNPFEDSA-N 0 3 427.523 0.105 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001569248343 1071975474 /nfs/dbraw/zinc/97/54/74/1071975474.db2.gz DLOQLJWHXGHKEM-LLVKDONJSA-N 0 3 440.385 0.752 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001569248343 1071975467 /nfs/dbraw/zinc/97/54/67/1071975467.db2.gz DLOQLJWHXGHKEM-LLVKDONJSA-N 0 3 440.385 0.752 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001569248350 1071975512 /nfs/dbraw/zinc/97/55/12/1071975512.db2.gz DLOQLJWHXGHKEM-NSHDSACASA-N 0 3 440.385 0.752 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001569248350 1071975507 /nfs/dbraw/zinc/97/55/07/1071975507.db2.gz DLOQLJWHXGHKEM-NSHDSACASA-N 0 3 440.385 0.752 20 0 ICADHN CN(C)CC1CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC001569257717 1071976558 /nfs/dbraw/zinc/97/65/58/1071976558.db2.gz JARSKMDIVBKIQT-DVESRUBUSA-N 0 3 443.591 0.400 20 0 ICADHN CN(C)CC1CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC001569257718 1071976602 /nfs/dbraw/zinc/97/66/02/1071976602.db2.gz JARSKMDIVBKIQT-PEKVBPLLSA-N 0 3 443.591 0.400 20 0 ICADHN CN(C)CC1CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC001569257719 1071976523 /nfs/dbraw/zinc/97/65/23/1071976523.db2.gz JARSKMDIVBKIQT-ZPHJMFTNSA-N 0 3 443.591 0.400 20 0 ICADHN CN(C)CC1CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC001569257720 1071976591 /nfs/dbraw/zinc/97/65/91/1071976591.db2.gz JARSKMDIVBKIQT-ZVBPTUHVSA-N 0 3 443.591 0.400 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN4CC[C@H]3C4)CC2=O)cc1 ZINC001569262357 1071977117 /nfs/dbraw/zinc/97/71/17/1071977117.db2.gz BNWYZVISGSQBOG-AEFFLSMTSA-N 0 3 434.562 0.987 20 0 ICADHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN4CC[C@H]3C4)CC2)c1 ZINC001569263251 1071977625 /nfs/dbraw/zinc/97/76/25/1071977625.db2.gz ZLGMKTXKMVMWAM-IBGZPJMESA-N 0 3 448.589 0.833 20 0 ICADHN CN1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC12CCCCC2 ZINC001569328627 1071979124 /nfs/dbraw/zinc/97/91/24/1071979124.db2.gz RQZWUCLKURYCMX-UHFFFAOYSA-N 0 3 443.591 0.845 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC001569435267 1071982351 /nfs/dbraw/zinc/98/23/51/1071982351.db2.gz DFYMWSQKYAEXJC-KRWDZBQOSA-N 0 3 428.555 0.655 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC001569435268 1071982141 /nfs/dbraw/zinc/98/21/41/1071982141.db2.gz DFYMWSQKYAEXJC-QGZVFWFLSA-N 0 3 428.555 0.655 20 0 ICADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC001569435503 1071982205 /nfs/dbraw/zinc/98/22/05/1071982205.db2.gz LHUIOGLRBFEELA-KRWDZBQOSA-N 0 3 427.571 0.390 20 0 ICADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC001569435504 1071982156 /nfs/dbraw/zinc/98/21/56/1071982156.db2.gz LHUIOGLRBFEELA-QGZVFWFLSA-N 0 3 427.571 0.390 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC001569435813 1071982234 /nfs/dbraw/zinc/98/22/34/1071982234.db2.gz RLHCAGSRWGNDRN-KRWDZBQOSA-N 0 3 426.539 0.229 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC001569435814 1071982312 /nfs/dbraw/zinc/98/23/12/1071982312.db2.gz RLHCAGSRWGNDRN-QGZVFWFLSA-N 0 3 426.539 0.229 20 0 ICADHN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@@H]1CCCCN1CCO ZINC001569436109 1071982270 /nfs/dbraw/zinc/98/22/70/1071982270.db2.gz UFUMXASIMOCTMK-HNNXBMFYSA-N 0 3 427.523 0.089 20 0 ICADHN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@H]1CCCCN1CCO ZINC001569436110 1071982295 /nfs/dbraw/zinc/98/22/95/1071982295.db2.gz UFUMXASIMOCTMK-OAHLLOKOSA-N 0 3 427.523 0.089 20 0 ICADHN CCN1C(=O)CO[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)[C@H]1c1nccn1C ZINC001569461319 1071982700 /nfs/dbraw/zinc/98/27/00/1071982700.db2.gz SLWSLYCMAPLOOT-GIVPXCGWSA-N 0 3 441.532 0.244 20 0 ICADHN O=C(OCc1ccccc1)N1CC(O)(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC001569461392 1071982945 /nfs/dbraw/zinc/98/29/45/1071982945.db2.gz VWZMUUKEUCJDDO-OAQYLSRUSA-N 0 3 439.512 0.905 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001569469899 1071982880 /nfs/dbraw/zinc/98/28/80/1071982880.db2.gz HDPCYMHORMTTDW-LLVKDONJSA-N 0 3 440.385 0.752 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@H]1CCC[N@H+]1CCCO ZINC001569469899 1071982877 /nfs/dbraw/zinc/98/28/77/1071982877.db2.gz HDPCYMHORMTTDW-LLVKDONJSA-N 0 3 440.385 0.752 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001569469900 1071982904 /nfs/dbraw/zinc/98/29/04/1071982904.db2.gz HDPCYMHORMTTDW-NSHDSACASA-N 0 3 440.385 0.752 20 0 ICADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001569469900 1071982896 /nfs/dbraw/zinc/98/28/96/1071982896.db2.gz HDPCYMHORMTTDW-NSHDSACASA-N 0 3 440.385 0.752 20 0 ICADHN CCc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1S(=O)(=O)N1CCOCC1 ZINC001569470367 1071982722 /nfs/dbraw/zinc/98/27/22/1071982722.db2.gz TZUNVLKFJHADRR-IBGZPJMESA-N 0 3 439.578 0.847 20 0 ICADHN CCc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1S(=O)(=O)N1CCOCC1 ZINC001569470368 1071982833 /nfs/dbraw/zinc/98/28/33/1071982833.db2.gz TZUNVLKFJHADRR-LJQANCHMSA-N 0 3 439.578 0.847 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001569573717 1071984999 /nfs/dbraw/zinc/98/49/99/1071984999.db2.gz DIBSGZUJJXLOCI-UHFFFAOYSA-N 0 3 436.578 0.335 20 0 ICADHN CN1CCN(CC2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001569573843 1071985034 /nfs/dbraw/zinc/98/50/34/1071985034.db2.gz JDSNOOJSKYNFNO-UHFFFAOYSA-N 0 3 435.377 0.978 20 0 ICADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001569573844 1071985010 /nfs/dbraw/zinc/98/50/10/1071985010.db2.gz JEJANAJWFQOAOV-GOSISDBHSA-N 0 3 438.598 0.133 20 0 ICADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001569573845 1071984887 /nfs/dbraw/zinc/98/48/87/1071984887.db2.gz JEJANAJWFQOAOV-SFHVURJKSA-N 0 3 438.598 0.133 20 0 ICADHN COC[C@]1(C(=O)N2CC(CN3CCN(C)CC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569574020 1071985017 /nfs/dbraw/zinc/98/50/17/1071985017.db2.gz QLDRWQSQYKRXLA-NRFANRHFSA-N 0 3 426.558 0.345 20 0 ICADHN COC[C@@]1(C(=O)N2CC(CN3CCN(C)CC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569574021 1071984857 /nfs/dbraw/zinc/98/48/57/1071984857.db2.gz QLDRWQSQYKRXLA-OAQYLSRUSA-N 0 3 426.558 0.345 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O ZINC001570028662 1071993362 /nfs/dbraw/zinc/99/33/62/1071993362.db2.gz CCMNOJRKQPOGLG-MOPGFXCFSA-N 0 3 445.564 0.297 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O ZINC001570028663 1071993439 /nfs/dbraw/zinc/99/34/39/1071993439.db2.gz CCMNOJRKQPOGLG-OALUTQOASA-N 0 3 445.564 0.297 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1=O ZINC001570028664 1071993419 /nfs/dbraw/zinc/99/34/19/1071993419.db2.gz CCMNOJRKQPOGLG-RBUKOAKNSA-N 0 3 445.564 0.297 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O ZINC001570028665 1071993394 /nfs/dbraw/zinc/99/33/94/1071993394.db2.gz CCMNOJRKQPOGLG-RTBURBONSA-N 0 3 445.564 0.297 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)CC1=O ZINC001570028765 1071993374 /nfs/dbraw/zinc/99/33/74/1071993374.db2.gz FWQXSLAYWBDVHX-GFCCVEGCSA-N 0 3 442.442 0.896 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)CC1=O ZINC001570028766 1071994008 /nfs/dbraw/zinc/99/40/08/1071994008.db2.gz FWQXSLAYWBDVHX-LBPRGKRZSA-N 0 3 442.442 0.896 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1=O ZINC001570028955 1071994071 /nfs/dbraw/zinc/99/40/71/1071994071.db2.gz LKAHQABOKFWADA-AYBZRNKSSA-N 0 3 447.454 0.093 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1=O ZINC001570028956 1071994029 /nfs/dbraw/zinc/99/40/29/1071994029.db2.gz LKAHQABOKFWADA-HHXXYDBFSA-N 0 3 447.454 0.093 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1=O ZINC001570028957 1071993859 /nfs/dbraw/zinc/99/38/59/1071993859.db2.gz LKAHQABOKFWADA-SUMDDJOVSA-N 0 3 447.454 0.093 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1=O ZINC001570028958 1071994039 /nfs/dbraw/zinc/99/40/39/1071994039.db2.gz LKAHQABOKFWADA-SZVBFZGTSA-N 0 3 447.454 0.093 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(I)c[nH]2)CC1=O ZINC001570028968 1071993910 /nfs/dbraw/zinc/99/39/10/1071993910.db2.gz LRXKJNLHQNNGHP-GFCCVEGCSA-N 0 3 434.278 0.528 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(I)c[nH]2)CC1=O ZINC001570028969 1071993959 /nfs/dbraw/zinc/99/39/59/1071993959.db2.gz LRXKJNLHQNNGHP-LBPRGKRZSA-N 0 3 434.278 0.528 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)CCN2C(=O)CCc3cc(F)ccc32)CC1=O ZINC001570028994 1071993995 /nfs/dbraw/zinc/99/39/95/1071993995.db2.gz MKYGLCODYMEUGW-GOSISDBHSA-N 0 3 434.512 0.790 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)CCN2C(=O)CCc3cc(F)ccc32)CC1=O ZINC001570028995 1071993886 /nfs/dbraw/zinc/99/38/86/1071993886.db2.gz MKYGLCODYMEUGW-SFHVURJKSA-N 0 3 434.512 0.790 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CC1=O ZINC001570029001 1071993936 /nfs/dbraw/zinc/99/39/36/1071993936.db2.gz MOHSITNXUJIOII-INIZCTEOSA-N 0 3 436.463 0.790 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CC1=O ZINC001570029002 1071993874 /nfs/dbraw/zinc/99/38/74/1071993874.db2.gz MOHSITNXUJIOII-MRXNPFEDSA-N 0 3 436.463 0.790 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc3ncc(Br)cn3n2)CC1=O ZINC001570029106 1071993920 /nfs/dbraw/zinc/99/39/20/1071993920.db2.gz PQBRPKXLESVZIK-CYBMUJFWSA-N 0 3 439.314 0.401 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc3ncc(Br)cn3n2)CC1=O ZINC001570029107 1071994063 /nfs/dbraw/zinc/99/40/63/1071994063.db2.gz PQBRPKXLESVZIK-ZDUSSCGKSA-N 0 3 439.314 0.401 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1=O ZINC001570029156 1071994047 /nfs/dbraw/zinc/99/40/47/1071994047.db2.gz QPYYXLPLFBGEQX-JCYILVPMSA-N 0 3 426.558 0.975 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1=O ZINC001570029157 1071993950 /nfs/dbraw/zinc/99/39/50/1071993950.db2.gz QPYYXLPLFBGEQX-OFLPRAFFSA-N 0 3 426.558 0.975 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1=O ZINC001570029326 1071993987 /nfs/dbraw/zinc/99/39/87/1071993987.db2.gz WCDGZNBANULASP-INIZCTEOSA-N 0 3 425.551 0.616 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1=O ZINC001570029327 1071993897 /nfs/dbraw/zinc/99/38/97/1071993897.db2.gz WCDGZNBANULASP-MRXNPFEDSA-N 0 3 425.551 0.616 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1=O ZINC001570029336 1071994054 /nfs/dbraw/zinc/99/40/54/1071994054.db2.gz WTZPHORXVCFKGJ-NQIIRXRSSA-N 0 3 430.549 0.962 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1=O ZINC001570029337 1071994590 /nfs/dbraw/zinc/99/45/90/1071994590.db2.gz WTZPHORXVCFKGJ-RXVVDRJESA-N 0 3 430.549 0.962 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1=O ZINC001570029363 1071994496 /nfs/dbraw/zinc/99/44/96/1071994496.db2.gz XWGMXEAVGORQAC-INIZCTEOSA-N 0 3 446.552 0.106 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1=O ZINC001570029364 1071994459 /nfs/dbraw/zinc/99/44/59/1071994459.db2.gz XWGMXEAVGORQAC-MRXNPFEDSA-N 0 3 446.552 0.106 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2nc(N(C)C)ncc2Br)CC1=O ZINC001570029419 1071994557 /nfs/dbraw/zinc/99/45/57/1071994557.db2.gz ZWLTVMNDCDSVPD-GFCCVEGCSA-N 0 3 443.346 0.214 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nc(N(C)C)ncc2Br)CC1=O ZINC001570029420 1071994474 /nfs/dbraw/zinc/99/44/74/1071994474.db2.gz ZWLTVMNDCDSVPD-LBPRGKRZSA-N 0 3 443.346 0.214 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)CC1=O ZINC001570032527 1071994529 /nfs/dbraw/zinc/99/45/29/1071994529.db2.gz UXZFHVUKPVEYQR-UMVBOHGHSA-N 0 3 428.484 0.802 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)CC1=O ZINC001570032528 1071994520 /nfs/dbraw/zinc/99/45/20/1071994520.db2.gz UXZFHVUKPVEYQR-VNHYZAJKSA-N 0 3 428.484 0.802 20 0 ICADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001570125865 1071997699 /nfs/dbraw/zinc/99/76/99/1071997699.db2.gz QVSONMCYCYOGTL-UHFFFAOYSA-N 0 3 433.553 0.973 20 0 ICADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001570125865 1071997697 /nfs/dbraw/zinc/99/76/97/1071997697.db2.gz QVSONMCYCYOGTL-UHFFFAOYSA-N 0 3 433.553 0.973 20 0 ICADHN CN(C)CCONC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC001570322359 1072008341 /nfs/dbraw/zinc/00/83/41/1072008341.db2.gz BQAFWPQKVGBRQH-UHFFFAOYSA-N 0 3 436.328 0.693 20 0 ICADHN Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001570329068 1072009319 /nfs/dbraw/zinc/00/93/19/1072009319.db2.gz LBBVPBZIXSYPOV-UHFFFAOYSA-N 0 3 440.548 0.596 20 0 ICADHN Cn1c(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC001570380136 1072011018 /nfs/dbraw/zinc/01/10/18/1072011018.db2.gz MHWORPXZQQOSOV-UHFFFAOYSA-N 0 3 439.516 0.333 20 0 ICADHN CCN1CCN(CC(C)(C)NC(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)CC1 ZINC001570410352 1072013068 /nfs/dbraw/zinc/01/30/68/1072013068.db2.gz YJCICDHBJHBWOP-UHFFFAOYSA-N 0 3 429.451 0.859 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]4CN(C)C[C@H]43)c2)CC1 ZINC001570518242 1072019407 /nfs/dbraw/zinc/01/94/07/1072019407.db2.gz PBTQWHLGNLYKOH-AZUAARDMSA-N 0 3 434.562 0.706 20 0 ICADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC1=O ZINC001570565611 1072021845 /nfs/dbraw/zinc/02/18/45/1072021845.db2.gz VMOFUSRMUBWCIC-BPQIPLTHSA-N 0 3 448.568 0.649 20 0 ICADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC1=O ZINC001570565612 1072021775 /nfs/dbraw/zinc/02/17/75/1072021775.db2.gz VMOFUSRMUBWCIC-RYQLBKOJSA-N 0 3 448.568 0.649 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001570632139 1072024285 /nfs/dbraw/zinc/02/42/85/1072024285.db2.gz HDWFFCKJLZVJRC-AWEZNQCLSA-N 0 3 438.488 0.408 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001570632140 1072024242 /nfs/dbraw/zinc/02/42/42/1072024242.db2.gz HDWFFCKJLZVJRC-CQSZACIVSA-N 0 3 438.488 0.408 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC001570632375 1072024376 /nfs/dbraw/zinc/02/43/76/1072024376.db2.gz MULSVKCOFPPLSV-GFCCVEGCSA-N 0 3 436.456 0.562 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC001570632376 1072024215 /nfs/dbraw/zinc/02/42/15/1072024215.db2.gz MULSVKCOFPPLSV-LBPRGKRZSA-N 0 3 436.456 0.562 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001570632530 1072024614 /nfs/dbraw/zinc/02/46/14/1072024614.db2.gz QQDCMLXUWAJMHM-INIZCTEOSA-N 0 3 436.578 0.812 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001570632531 1072024319 /nfs/dbraw/zinc/02/43/19/1072024319.db2.gz QQDCMLXUWAJMHM-MRXNPFEDSA-N 0 3 436.578 0.812 20 0 ICADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1=O ZINC001570632576 1072024465 /nfs/dbraw/zinc/02/44/65/1072024465.db2.gz RYODSBUEZKIYJA-LHSJRXKWSA-N 0 3 431.493 0.041 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1=O ZINC001570632577 1072024178 /nfs/dbraw/zinc/02/41/78/1072024178.db2.gz RYODSBUEZKIYJA-QKKBWIMNSA-N 0 3 431.493 0.041 20 0 ICADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1=O ZINC001570632578 1072024489 /nfs/dbraw/zinc/02/44/89/1072024489.db2.gz RYODSBUEZKIYJA-SPLOXXLWSA-N 0 3 431.493 0.041 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1=O ZINC001570632579 1072024421 /nfs/dbraw/zinc/02/44/21/1072024421.db2.gz RYODSBUEZKIYJA-SZNDQCEHSA-N 0 3 431.493 0.041 20 0 ICADHN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001570632584 1072024348 /nfs/dbraw/zinc/02/43/48/1072024348.db2.gz SBXMOKRLHSLAJX-BBWFWOEESA-N 0 3 439.601 0.791 20 0 ICADHN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001570632585 1072024552 /nfs/dbraw/zinc/02/45/52/1072024552.db2.gz SBXMOKRLHSLAJX-IKGGRYGDSA-N 0 3 439.601 0.791 20 0 ICADHN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001570632586 1072024444 /nfs/dbraw/zinc/02/44/44/1072024444.db2.gz SBXMOKRLHSLAJX-ULQDDVLXSA-N 0 3 439.601 0.791 20 0 ICADHN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001570632587 1072024193 /nfs/dbraw/zinc/02/41/93/1072024193.db2.gz SBXMOKRLHSLAJX-ZACQAIPSSA-N 0 3 439.601 0.791 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C ZINC001570632641 1072025010 /nfs/dbraw/zinc/02/50/10/1072025010.db2.gz UEYLPKRODQUVIB-CVEARBPZSA-N 0 3 439.582 0.638 20 0 ICADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC001570632642 1072025144 /nfs/dbraw/zinc/02/51/44/1072025144.db2.gz UEYLPKRODQUVIB-HOTGVXAUSA-N 0 3 439.582 0.638 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C ZINC001570632643 1072024883 /nfs/dbraw/zinc/02/48/83/1072024883.db2.gz UEYLPKRODQUVIB-HZPDHXFCSA-N 0 3 439.582 0.638 20 0 ICADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C ZINC001570632644 1072024962 /nfs/dbraw/zinc/02/49/62/1072024962.db2.gz UEYLPKRODQUVIB-JKSUJKDBSA-N 0 3 439.582 0.638 20 0 ICADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(OC)c1 ZINC001570632710 1072024990 /nfs/dbraw/zinc/02/49/90/1072024990.db2.gz WETXHHNMPUTLHX-CRAIPNDOSA-N 0 3 432.521 0.887 20 0 ICADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(OC)c1 ZINC001570632711 1072024841 /nfs/dbraw/zinc/02/48/41/1072024841.db2.gz WETXHHNMPUTLHX-MAUKXSAKSA-N 0 3 432.521 0.887 20 0 ICADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(OC)c1 ZINC001570632712 1072024913 /nfs/dbraw/zinc/02/49/13/1072024913.db2.gz WETXHHNMPUTLHX-QAPCUYQASA-N 0 3 432.521 0.887 20 0 ICADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(OC)c1 ZINC001570632713 1072025120 /nfs/dbraw/zinc/02/51/20/1072025120.db2.gz WETXHHNMPUTLHX-YJBOKZPZSA-N 0 3 432.521 0.887 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCO)C2CCN(C)CC2)cc1 ZINC001570862764 1072032784 /nfs/dbraw/zinc/03/27/84/1072032784.db2.gz GCNNKDPUUUZIQZ-UHFFFAOYSA-N 0 3 426.539 0.181 20 0 ICADHN CN1CCC(N(CCO)C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC001570863146 1072032886 /nfs/dbraw/zinc/03/28/86/1072032886.db2.gz YDASIAJHVWPUQF-UHFFFAOYSA-N 0 3 434.356 0.643 20 0 ICADHN CN(C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001583076907 1072040123 /nfs/dbraw/zinc/04/01/23/1072040123.db2.gz DNQLLWRQHWIZBL-UHFFFAOYSA-N 0 3 431.522 0.468 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001583246198 1072045494 /nfs/dbraw/zinc/04/54/94/1072045494.db2.gz PIGFFIWXBUSIAO-FQEVSTJZSA-N 0 3 441.550 0.127 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001583246199 1072045204 /nfs/dbraw/zinc/04/52/04/1072045204.db2.gz PIGFFIWXBUSIAO-HXUWFJFHSA-N 0 3 441.550 0.127 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC001583251088 1072046058 /nfs/dbraw/zinc/04/60/58/1072046058.db2.gz DUEUIRFVCKKCPE-FQEVSTJZSA-N 0 3 425.551 0.954 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1C ZINC001583251089 1072046254 /nfs/dbraw/zinc/04/62/54/1072046254.db2.gz DUEUIRFVCKKCPE-HXUWFJFHSA-N 0 3 425.551 0.954 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001583251207 1072046221 /nfs/dbraw/zinc/04/62/21/1072046221.db2.gz HYDYOJZDGBTLDZ-NRFANRHFSA-N 0 3 439.578 0.965 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001583251208 1072045992 /nfs/dbraw/zinc/04/59/92/1072045992.db2.gz HYDYOJZDGBTLDZ-OAQYLSRUSA-N 0 3 439.578 0.965 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC001583251219 1072046187 /nfs/dbraw/zinc/04/61/87/1072046187.db2.gz IFKUHSVYQSWLST-FQEVSTJZSA-N 0 3 437.518 0.413 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC001583251220 1072046083 /nfs/dbraw/zinc/04/60/83/1072046083.db2.gz IFKUHSVYQSWLST-HXUWFJFHSA-N 0 3 437.518 0.413 20 0 ICADHN Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583368710 1072052410 /nfs/dbraw/zinc/05/24/10/1072052410.db2.gz HZEFTMDFUFXIQH-UHFFFAOYSA-N 0 3 439.563 0.939 20 0 ICADHN COc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(OC)c1OCC(N)=O ZINC001583487613 1072056696 /nfs/dbraw/zinc/05/66/96/1072056696.db2.gz NUANXQFGNSLFGW-UHFFFAOYSA-N 0 3 448.520 0.514 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC001583487658 1072056764 /nfs/dbraw/zinc/05/67/64/1072056764.db2.gz PXTAFOVMFOXIEU-UHFFFAOYSA-N 0 3 425.327 0.943 20 0 ICADHN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)s1 ZINC001583487672 1072057002 /nfs/dbraw/zinc/05/70/02/1072057002.db2.gz QFOVQUFOSFTTKD-UHFFFAOYSA-N 0 3 442.607 0.786 20 0 ICADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc21 ZINC001583488019 1072057436 /nfs/dbraw/zinc/05/74/36/1072057436.db2.gz XJCYDPKDEQUNMZ-UHFFFAOYSA-N 0 3 434.562 0.955 20 0 ICADHN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CCOCC1 ZINC001583536635 1072058764 /nfs/dbraw/zinc/05/87/64/1072058764.db2.gz DZIZDYAEIUVFKB-INIZCTEOSA-N 0 3 426.558 0.929 20 0 ICADHN C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CCOCC1 ZINC001583536636 1072058837 /nfs/dbraw/zinc/05/88/37/1072058837.db2.gz DZIZDYAEIUVFKB-MRXNPFEDSA-N 0 3 426.558 0.929 20 0 ICADHN CN(C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1=O ZINC001583536967 1072058629 /nfs/dbraw/zinc/05/86/29/1072058629.db2.gz GRCYASDWPLPXDI-UHFFFAOYSA-N 0 3 434.518 0.604 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1=O ZINC001583536991 1072058792 /nfs/dbraw/zinc/05/87/92/1072058792.db2.gz IBXOWODXURSMSH-JNLAIUADSA-N 0 3 441.532 0.022 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1=O ZINC001583536992 1072058854 /nfs/dbraw/zinc/05/88/54/1072058854.db2.gz IBXOWODXURSMSH-KWEPMOPPSA-N 0 3 441.532 0.022 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1=O ZINC001583536993 1072059263 /nfs/dbraw/zinc/05/92/63/1072059263.db2.gz IBXOWODXURSMSH-QPGLYAHGSA-N 0 3 441.532 0.022 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1=O ZINC001583536994 1072059242 /nfs/dbraw/zinc/05/92/42/1072059242.db2.gz IBXOWODXURSMSH-VQFGERMISA-N 0 3 441.532 0.022 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1=O ZINC001583537367 1072059395 /nfs/dbraw/zinc/05/93/95/1072059395.db2.gz KPRAPDBFTYFODR-KRWDZBQOSA-N 0 3 426.521 0.648 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1=O ZINC001583537368 1072059513 /nfs/dbraw/zinc/05/95/13/1072059513.db2.gz KPRAPDBFTYFODR-QGZVFWFLSA-N 0 3 426.521 0.648 20 0 ICADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001583537428 1072059535 /nfs/dbraw/zinc/05/95/35/1072059535.db2.gz NIOFVGJXUNXYQW-LLVKDONJSA-N 0 3 431.356 0.861 20 0 ICADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001583537429 1072059373 /nfs/dbraw/zinc/05/93/73/1072059373.db2.gz NIOFVGJXUNXYQW-NSHDSACASA-N 0 3 431.356 0.861 20 0 ICADHN CN(C)CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O ZINC001583537618 1072059287 /nfs/dbraw/zinc/05/92/87/1072059287.db2.gz PCHMARQBUCTEGK-UHFFFAOYSA-N 0 3 436.578 0.466 20 0 ICADHN CN(C)CCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1=O ZINC001583538070 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1072219223 /nfs/dbraw/zinc/21/92/23/1072219223.db2.gz ICZDUTHOPQNXFE-CYBMUJFWSA-N 0 3 448.998 0.787 20 0 ICADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1=O ZINC001586571426 1072219288 /nfs/dbraw/zinc/21/92/88/1072219288.db2.gz ICZDUTHOPQNXFE-ZDUSSCGKSA-N 0 3 448.998 0.787 20 0 ICADHN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC001586571450 1072219121 /nfs/dbraw/zinc/21/91/21/1072219121.db2.gz JQCZHTXRYDPZHH-JOCHJYFZSA-N 0 3 445.520 0.003 20 0 ICADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC001586571451 1072219296 /nfs/dbraw/zinc/21/92/96/1072219296.db2.gz JQCZHTXRYDPZHH-QFIPXVFZSA-N 0 3 445.520 0.003 20 0 ICADHN COc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1S(=O)(=O)N1CCCC1 ZINC001586571988 1072219184 /nfs/dbraw/zinc/21/91/84/1072219184.db2.gz UMSAOMUXQDWMGZ-UHFFFAOYSA-N 0 3 438.550 0.326 20 0 ICADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)cc21 ZINC001586611491 1072221623 /nfs/dbraw/zinc/22/16/23/1072221623.db2.gz UBUOJUBRSHLQFD-UHFFFAOYSA-N 0 3 441.492 0.611 20 0 ICADHN CCn1c(CCC(=O)NCCN2CC[C@H](O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001586617429 1072222741 /nfs/dbraw/zinc/22/27/41/1072222741.db2.gz MLLJZIQPSLZWEO-HNNXBMFYSA-N 0 3 437.566 0.422 20 0 ICADHN CCN1C(=O)CO[C@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)[C@H]1c1ccnn1C ZINC001586635231 1072223744 /nfs/dbraw/zinc/22/37/44/1072223744.db2.gz BTEFFDKUTWDKET-UXHICEINSA-N 0 3 433.553 0.812 20 0 ICADHN CCC1(N2CCOCC2)CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001586635338 1072223672 /nfs/dbraw/zinc/22/36/72/1072223672.db2.gz GQJVNVORQZAWRP-UHFFFAOYSA-N 0 3 427.571 0.500 20 0 ICADHN CCN1C(=O)CO[C@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)[C@H]1c1nccn1C ZINC001586635435 1072223787 /nfs/dbraw/zinc/22/37/87/1072223787.db2.gz KEVZZVMMRURWGA-OALUTQOASA-N 0 3 433.553 0.812 20 0 ICADHN O=C(CN1CCNC(=O)C1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001586769294 1072232366 /nfs/dbraw/zinc/23/23/66/1072232366.db2.gz YXASAHRCKRPYAM-UHFFFAOYSA-N 0 3 439.354 0.840 20 0 ICADHN Cn1c2sc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)cc2c(=O)n(C)c1=O ZINC001586871995 1072236396 /nfs/dbraw/zinc/23/63/96/1072236396.db2.gz SFCPWXUXVYHTHB-NRFANRHFSA-N 0 3 428.514 0.666 20 0 ICADHN Cn1c2sc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)cc2c(=O)n(C)c1=O ZINC001586871996 1072236977 /nfs/dbraw/zinc/23/69/77/1072236977.db2.gz SFCPWXUXVYHTHB-OAQYLSRUSA-N 0 3 428.514 0.666 20 0 ICADHN CN1CCn2nc(C(=O)NCc3ccccc3CN3CCC(O)CC3)cc2S1(=O)=O ZINC001586898996 1072237502 /nfs/dbraw/zinc/23/75/02/1072237502.db2.gz NPCOVTOOSWLJHQ-UHFFFAOYSA-N 0 3 433.534 0.404 20 0 ICADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CN(C2CCOCC2)C1 ZINC001586950306 1072241223 /nfs/dbraw/zinc/24/12/23/1072241223.db2.gz JWEZCRCOXQKEOZ-UHFFFAOYSA-N 0 3 427.498 0.896 20 0 ICADHN CN(C)CCn1c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2[nH]c1=O ZINC001586953429 1072241067 /nfs/dbraw/zinc/24/10/67/1072241067.db2.gz JYCNXSPNHKUXHC-UHFFFAOYSA-N 0 3 431.518 0.923 20 0 ICADHN CC(=O)NCC(=O)N1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001586968190 1072243013 /nfs/dbraw/zinc/24/30/13/1072243013.db2.gz YBZWHZHSZQNUPK-UHFFFAOYSA-N 0 3 429.565 0.786 20 0 ICADHN CC(=O)NCC(=O)N1CCCN(C(=O)Cc2csc(SCCN(C)C)n2)CC1 ZINC001586968224 1072243048 /nfs/dbraw/zinc/24/30/48/1072243048.db2.gz YXSMZDWTRSBXPE-UHFFFAOYSA-N 0 3 427.596 0.536 20 0 ICADHN Cc1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001586991699 1072244508 /nfs/dbraw/zinc/24/45/08/1072244508.db2.gz BJZJTAUMOLYGJT-KRWDZBQOSA-N 0 3 425.551 0.591 20 0 ICADHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001586992088 1072244623 /nfs/dbraw/zinc/24/46/23/1072244623.db2.gz LTONFHDDAXVRRO-HNNXBMFYSA-N 0 3 429.514 0.422 20 0 ICADHN COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001587010182 1072245580 /nfs/dbraw/zinc/24/55/80/1072245580.db2.gz GNECBRKHCNZFKE-AWEZNQCLSA-N 0 3 438.506 0.106 20 0 ICADHN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001587010183 1072245464 /nfs/dbraw/zinc/24/54/64/1072245464.db2.gz GNECBRKHCNZFKE-CQSZACIVSA-N 0 3 438.506 0.106 20 0 ICADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001587046742 1072247476 /nfs/dbraw/zinc/24/74/76/1072247476.db2.gz FSICYHTVNVAJBH-UHFFFAOYSA-N 0 3 448.568 0.176 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)c2nc3n(n2)CCCN3)CC1)Cc1ccccc1 ZINC001587058761 1072248057 /nfs/dbraw/zinc/24/80/57/1072248057.db2.gz BGBXWNARWXCHGH-UHFFFAOYSA-N 0 3 425.537 0.452 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1)Cc1ccccc1 ZINC001587059015 1072248015 /nfs/dbraw/zinc/24/80/15/1072248015.db2.gz FMYSUZULWUARII-UHFFFAOYSA-N 0 3 429.521 0.367 20 0 ICADHN CN(CCNC(=O)C1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1)Cc1ccccc1 ZINC001587059112 1072248715 /nfs/dbraw/zinc/24/87/15/1072248715.db2.gz IRFILUAICWQGPF-UHFFFAOYSA-N 0 3 438.594 0.755 20 0 ICADHN Cc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC001587082576 1072250586 /nfs/dbraw/zinc/25/05/86/1072250586.db2.gz DYPVZNKFRUDHND-UHFFFAOYSA-N 0 3 440.566 0.108 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC001587083091 1072250663 /nfs/dbraw/zinc/25/06/63/1072250663.db2.gz NYLVQKPUGSMCAA-UHFFFAOYSA-N 0 3 426.583 0.997 20 0 ICADHN COc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1S(=O)(=O)N1CCCC1 ZINC001587083121 1072250616 /nfs/dbraw/zinc/25/06/16/1072250616.db2.gz OYHXDEUWSFMODN-UHFFFAOYSA-N 0 3 440.566 0.572 20 0 ICADHN CO[C@@H]1C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001587083311 1072250720 /nfs/dbraw/zinc/25/07/20/1072250720.db2.gz UGQFSHHHYKRYHX-MOPGFXCFSA-N 0 3 434.537 0.891 20 0 ICADHN CN1CC[C@@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001587504036 1072273185 /nfs/dbraw/zinc/27/31/85/1072273185.db2.gz SPJHFTZFRDZCCN-AXHMDWHKSA-N 0 3 427.567 0.821 20 0 ICADHN CN1CC[C@@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001587504037 1072273089 /nfs/dbraw/zinc/27/30/89/1072273089.db2.gz SPJHFTZFRDZCCN-IHSNIMORSA-N 0 3 427.567 0.821 20 0 ICADHN CN1CC[C@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001587504038 1072273154 /nfs/dbraw/zinc/27/31/54/1072273154.db2.gz SPJHFTZFRDZCCN-KSVNGYGVSA-N 0 3 427.567 0.821 20 0 ICADHN CN1CC[C@H]2CN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001587504039 1072273017 /nfs/dbraw/zinc/27/30/17/1072273017.db2.gz SPJHFTZFRDZCCN-QCBUCWTNSA-N 0 3 427.567 0.821 20 0 ICADHN CN1CCN(C2CCN(C(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001587537888 1072274315 /nfs/dbraw/zinc/27/43/15/1072274315.db2.gz LEWIJCRLQMYHHK-GOSISDBHSA-N 0 3 437.585 0.741 20 0 ICADHN CN1CCN(C2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001587537889 1072274648 /nfs/dbraw/zinc/27/46/48/1072274648.db2.gz LEWIJCRLQMYHHK-SFHVURJKSA-N 0 3 437.585 0.741 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 ZINC001587537890 1072274685 /nfs/dbraw/zinc/27/46/85/1072274685.db2.gz LFOXZESLVFZBQA-UHFFFAOYSA-N 0 3 437.566 0.162 20 0 ICADHN CN1CCN(C2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)CC1 ZINC001587538672 1072274443 /nfs/dbraw/zinc/27/44/43/1072274443.db2.gz XFBLJLBFDUEZQL-UHFFFAOYSA-N 0 3 425.533 0.297 20 0 ICADHN CCN(CC)C(=O)CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC1 ZINC001587551958 1072275091 /nfs/dbraw/zinc/27/50/91/1072275091.db2.gz JHAWYUZJBJTSLV-UHFFFAOYSA-N 0 3 430.553 0.930 20 0 ICADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001587591513 1072277300 /nfs/dbraw/zinc/27/73/00/1072277300.db2.gz VJVHEXZNHITTGX-GVDBMIGSSA-N 0 3 427.567 0.965 20 0 ICADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001587591514 1072277217 /nfs/dbraw/zinc/27/72/17/1072277217.db2.gz VJVHEXZNHITTGX-ULQDDVLXSA-N 0 3 427.567 0.965 20 0 ICADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001587591515 1072277446 /nfs/dbraw/zinc/27/74/46/1072277446.db2.gz VJVHEXZNHITTGX-YESZJQIVSA-N 0 3 427.567 0.965 20 0 ICADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001587591516 1072277576 /nfs/dbraw/zinc/27/75/76/1072277576.db2.gz VJVHEXZNHITTGX-ZACQAIPSSA-N 0 3 427.567 0.965 20 0 ICADHN O=C(CC1(n2cnnn2)CCOCC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001587650748 1072281402 /nfs/dbraw/zinc/28/14/02/1072281402.db2.gz XLUXXEDCJMSJFG-UHFFFAOYSA-N 0 3 427.553 0.893 20 0 ICADHN CC[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)N(C)C ZINC001587742818 1072286987 /nfs/dbraw/zinc/28/69/87/1072286987.db2.gz QAAHGBPPZVDNQM-KRWDZBQOSA-N 0 3 425.555 0.091 20 0 ICADHN CC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)N(C)C ZINC001587742819 1072286855 /nfs/dbraw/zinc/28/68/55/1072286855.db2.gz QAAHGBPPZVDNQM-QGZVFWFLSA-N 0 3 425.555 0.091 20 0 ICADHN Cc1ccc(CN2CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC2)cc1 ZINC001587861538 1072293213 /nfs/dbraw/zinc/29/32/13/1072293213.db2.gz YKLIAOMQBPDVPS-UHFFFAOYSA-N 0 3 438.594 0.863 20 0 ICADHN CCc1c(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017688 1072302343 /nfs/dbraw/zinc/30/23/43/1072302343.db2.gz QMSFGDJJYVQVJJ-DLBZAZTESA-N 0 3 429.521 0.302 20 0 ICADHN CCc1c(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017689 1072302137 /nfs/dbraw/zinc/30/21/37/1072302137.db2.gz QMSFGDJJYVQVJJ-IAGOWNOFSA-N 0 3 429.521 0.302 20 0 ICADHN CCc1c(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017691 1072302288 /nfs/dbraw/zinc/30/22/88/1072302288.db2.gz QMSFGDJJYVQVJJ-IRXDYDNUSA-N 0 3 429.521 0.302 20 0 ICADHN CCc1c(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001588017692 1072302380 /nfs/dbraw/zinc/30/23/80/1072302380.db2.gz QMSFGDJJYVQVJJ-SJORKVTESA-N 0 3 429.521 0.302 20 0 ICADHN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001588017982 1072302218 /nfs/dbraw/zinc/30/22/18/1072302218.db2.gz SKBBLQRVUSQTIK-CEXWTWQISA-N 0 3 434.512 0.222 20 0 ICADHN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001588017984 1072302398 /nfs/dbraw/zinc/30/23/98/1072302398.db2.gz SKBBLQRVUSQTIK-FHWLQOOXSA-N 0 3 434.512 0.222 20 0 ICADHN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001588017985 1072302196 /nfs/dbraw/zinc/30/21/96/1072302196.db2.gz SKBBLQRVUSQTIK-GBESFXJTSA-N 0 3 434.512 0.222 20 0 ICADHN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001588017987 1072302325 /nfs/dbraw/zinc/30/23/25/1072302325.db2.gz SKBBLQRVUSQTIK-QYZOEREBSA-N 0 3 434.512 0.222 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001589194000 1072353094 /nfs/dbraw/zinc/35/30/94/1072353094.db2.gz AGAWKTBSYISQES-IBGZPJMESA-N 0 3 449.596 0.032 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001589194001 1072352820 /nfs/dbraw/zinc/35/28/20/1072352820.db2.gz AGAWKTBSYISQES-LJQANCHMSA-N 0 3 449.596 0.032 20 0 ICADHN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001589194061 1072352985 /nfs/dbraw/zinc/35/29/85/1072352985.db2.gz BLLOXLBLISBUPN-KRWDZBQOSA-N 0 3 447.511 0.132 20 0 ICADHN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001589194065 1072352846 /nfs/dbraw/zinc/35/28/46/1072352846.db2.gz BLLOXLBLISBUPN-QGZVFWFLSA-N 0 3 447.511 0.132 20 0 ICADHN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001589194724 1072353111 /nfs/dbraw/zinc/35/31/11/1072353111.db2.gz KCWIQVDQVAHEHB-HNNXBMFYSA-N 0 3 440.541 0.775 20 0 ICADHN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001589194725 1072353014 /nfs/dbraw/zinc/35/30/14/1072353014.db2.gz KCWIQVDQVAHEHB-OAHLLOKOSA-N 0 3 440.541 0.775 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC001589194756 1072352878 /nfs/dbraw/zinc/35/28/78/1072352878.db2.gz KSDDJGDNJSGAOH-UHFFFAOYSA-N 0 3 427.505 0.825 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC001589195018 1072353697 /nfs/dbraw/zinc/35/36/97/1072353697.db2.gz NCPWULCFGOWERP-UHFFFAOYSA-N 0 3 426.514 0.436 20 0 ICADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001589195570 1072353622 /nfs/dbraw/zinc/35/36/22/1072353622.db2.gz UXEZGFVSGRMQKF-UHFFFAOYSA-N 0 3 444.532 0.702 20 0 ICADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 ZINC001589264735 1072354076 /nfs/dbraw/zinc/35/40/76/1072354076.db2.gz CRRXMWSYNZLHQK-UHFFFAOYSA-N 0 3 448.545 0.389 20 0 ICADHN COC(=O)[C@@]1(CNC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C[C@@H]1S(C)(=O)=O ZINC001594094922 1072369550 /nfs/dbraw/zinc/36/95/50/1072369550.db2.gz OQEIMMDENIUKKQ-HNAYVOBHSA-N 0 3 438.506 0.010 20 0 ICADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001595169300 1072381626 /nfs/dbraw/zinc/38/16/26/1072381626.db2.gz QNGOIFQQLLHTDE-UHFFFAOYSA-N 0 3 430.549 0.913 20 0 ICADHN CN1CCN(CCCCNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001595416036 1072386445 /nfs/dbraw/zinc/38/64/45/1072386445.db2.gz CKCSEKVDURZURP-GOSISDBHSA-N 0 3 439.601 0.894 20 0 ICADHN CN1CCN(CCCCNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 ZINC001595416037 1072386313 /nfs/dbraw/zinc/38/63/13/1072386313.db2.gz CKCSEKVDURZURP-SFHVURJKSA-N 0 3 439.601 0.894 20 0 ICADHN COC[C@]1(C(=O)NCCCCN2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595416745 1072386397 /nfs/dbraw/zinc/38/63/97/1072386397.db2.gz KNVPHJYIZXJUSF-NRFANRHFSA-N 0 3 428.574 0.783 20 0 ICADHN COC[C@@]1(C(=O)NCCCCN2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595416746 1072386243 /nfs/dbraw/zinc/38/62/43/1072386243.db2.gz KNVPHJYIZXJUSF-OAQYLSRUSA-N 0 3 428.574 0.783 20 0 ICADHN Cc1ccccc1CN1CCCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001595462376 1072387430 /nfs/dbraw/zinc/38/74/30/1072387430.db2.gz NYQSCJFVQDXBQV-NJDAHSKKSA-N 0 3 425.533 0.953 20 0 ICADHN Cc1ccccc1CN1CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC001595462825 1072387558 /nfs/dbraw/zinc/38/75/58/1072387558.db2.gz XJECKQHKFIOBEE-UHFFFAOYSA-N 0 3 438.594 0.863 20 0 ICADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001595505829 1072391179 /nfs/dbraw/zinc/39/11/79/1072391179.db2.gz QOGZJNNYMJXCJE-ACRUOGEOSA-N 0 3 436.597 0.707 20 0 ICADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001595505830 1072391126 /nfs/dbraw/zinc/39/11/26/1072391126.db2.gz QOGZJNNYMJXCJE-PCCBWWKXSA-N 0 3 436.597 0.707 20 0 ICADHN CCN1CCN(Cc2ccccc2CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)CC1 ZINC001595703716 1072411047 /nfs/dbraw/zinc/41/10/47/1072411047.db2.gz YFNAKYATCPIWEL-UHFFFAOYSA-N 0 3 445.589 0.959 20 0 ICADHN CCN1CCN(CCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 ZINC001595729225 1072413393 /nfs/dbraw/zinc/41/33/93/1072413393.db2.gz CJTADYRICXPBLM-INIZCTEOSA-N 0 3 434.603 0.458 20 0 ICADHN CCN1CCN(CCCNC(=O)Cn2nc(Br)c(Br)n2)CC1 ZINC001595730475 1072413769 /nfs/dbraw/zinc/41/37/69/1072413769.db2.gz NCBJKCUBPWNHPB-UHFFFAOYSA-N 0 3 438.168 0.947 20 0 ICADHN CCN1CCN(CCCNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001595730808 1072413793 /nfs/dbraw/zinc/41/37/93/1072413793.db2.gz PGCMEHQKOJRSNP-KRWDZBQOSA-N 0 3 425.574 0.598 20 0 ICADHN CCN1CCN(CCCNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001595730809 1072413736 /nfs/dbraw/zinc/41/37/36/1072413736.db2.gz PGCMEHQKOJRSNP-QGZVFWFLSA-N 0 3 425.574 0.598 20 0 ICADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccnn1CCN(C)C ZINC001595761219 1072415738 /nfs/dbraw/zinc/41/57/38/1072415738.db2.gz DOVLAGHANATPDA-UHFFFAOYSA-N 0 3 437.522 0.727 20 0 ICADHN CN1CCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3ccccc3N)cc2)CC1 ZINC001595873278 1072424617 /nfs/dbraw/zinc/42/46/17/1072424617.db2.gz GEPQWSJGEWWAHG-UHFFFAOYSA-N 0 3 431.562 0.611 20 0 ICADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959572 1072434297 /nfs/dbraw/zinc/43/42/97/1072434297.db2.gz GQMBYXLAAVCRGG-FGTMMUONSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959572 1072434290 /nfs/dbraw/zinc/43/42/90/1072434290.db2.gz GQMBYXLAAVCRGG-FGTMMUONSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959573 1072434219 /nfs/dbraw/zinc/43/42/19/1072434219.db2.gz GQMBYXLAAVCRGG-KZNAEPCWSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959573 1072434217 /nfs/dbraw/zinc/43/42/17/1072434217.db2.gz GQMBYXLAAVCRGG-KZNAEPCWSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959574 1072434181 /nfs/dbraw/zinc/43/41/81/1072434181.db2.gz GQMBYXLAAVCRGG-OKZBNKHCSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959574 1072434177 /nfs/dbraw/zinc/43/41/77/1072434177.db2.gz GQMBYXLAAVCRGG-OKZBNKHCSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959575 1072434319 /nfs/dbraw/zinc/43/43/19/1072434319.db2.gz GQMBYXLAAVCRGG-RCCFBDPRSA-N 0 3 430.553 0.908 20 0 ICADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CC1=O ZINC001595959575 1072434315 /nfs/dbraw/zinc/43/43/15/1072434315.db2.gz GQMBYXLAAVCRGG-RCCFBDPRSA-N 0 3 430.553 0.908 20 0 ICADHN CN(CCO)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001596047927 1072446202 /nfs/dbraw/zinc/44/62/02/1072446202.db2.gz IOHANRKGRITOJH-AWEZNQCLSA-N 0 3 448.383 0.890 20 0 ICADHN CN(CCO)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001596047928 1072446181 /nfs/dbraw/zinc/44/61/81/1072446181.db2.gz IOHANRKGRITOJH-CQSZACIVSA-N 0 3 448.383 0.890 20 0 ICADHN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCN(C)CCO ZINC001596048373 1072446219 /nfs/dbraw/zinc/44/62/19/1072446219.db2.gz ZESJRIOJIUUAIB-GOSISDBHSA-N 0 3 429.539 0.191 20 0 ICADHN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCN(C)CCO ZINC001596048374 1072446225 /nfs/dbraw/zinc/44/62/25/1072446225.db2.gz ZESJRIOJIUUAIB-SFHVURJKSA-N 0 3 429.539 0.191 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@@H]2C)CC1 ZINC001596133155 1072453666 /nfs/dbraw/zinc/45/36/66/1072453666.db2.gz BMHIOFCSYIGYPT-FXAWDEMLSA-N 0 3 434.585 0.897 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@@H]2C)CC1 ZINC001596133156 1072453708 /nfs/dbraw/zinc/45/37/08/1072453708.db2.gz BMHIOFCSYIGYPT-PXNSSMCTSA-N 0 3 434.585 0.897 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@H]2C)CC1 ZINC001596133157 1072453828 /nfs/dbraw/zinc/45/38/28/1072453828.db2.gz BMHIOFCSYIGYPT-XLIONFOSSA-N 0 3 434.585 0.897 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCC3(O)CCOCC3)C[C@H]2C)CC1 ZINC001596133158 1072454359 /nfs/dbraw/zinc/45/43/59/1072454359.db2.gz BMHIOFCSYIGYPT-YLJYHZDGSA-N 0 3 434.585 0.897 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@H]3NC(=O)CC3(C)C)C[C@H]2C)CC1 ZINC001596133319 1072454319 /nfs/dbraw/zinc/45/43/19/1072454319.db2.gz CVEVDRLWNIQYPV-ATZDWAIDSA-N 0 3 431.585 0.880 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@@H]3NC(=O)CC3(C)C)C[C@@H]2C)CC1 ZINC001596133320 1072454544 /nfs/dbraw/zinc/45/45/44/1072454544.db2.gz CVEVDRLWNIQYPV-IPELMVKDSA-N 0 3 431.585 0.880 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@H]3NC(=O)CC3(C)C)C[C@@H]2C)CC1 ZINC001596133321 1072454343 /nfs/dbraw/zinc/45/43/43/1072454343.db2.gz CVEVDRLWNIQYPV-KFKAGJAMSA-N 0 3 431.585 0.880 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@@H]3NC(=O)CC3(C)C)C[C@H]2C)CC1 ZINC001596133322 1072454478 /nfs/dbraw/zinc/45/44/78/1072454478.db2.gz CVEVDRLWNIQYPV-LZQZEXGQSA-N 0 3 431.585 0.880 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596136320 1072454629 /nfs/dbraw/zinc/45/46/29/1072454629.db2.gz SCCRWWKVMQULGU-HKUYNNGSSA-N 0 3 433.601 0.944 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596136321 1072454398 /nfs/dbraw/zinc/45/43/98/1072454398.db2.gz SCCRWWKVMQULGU-IEBWSBKVSA-N 0 3 433.601 0.944 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596136322 1072454292 /nfs/dbraw/zinc/45/42/92/1072454292.db2.gz SCCRWWKVMQULGU-MJGOQNOKSA-N 0 3 433.601 0.944 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596136323 1072454587 /nfs/dbraw/zinc/45/45/87/1072454587.db2.gz SCCRWWKVMQULGU-PKOBYXMFSA-N 0 3 433.601 0.944 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@H]2C)CC1 ZINC001596136861 1072454564 /nfs/dbraw/zinc/45/45/64/1072454564.db2.gz UZKBORXXFKHVAC-APWZRJJASA-N 0 3 433.557 0.808 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@@H]2C)CC1 ZINC001596136862 1072454613 /nfs/dbraw/zinc/45/46/13/1072454613.db2.gz UZKBORXXFKHVAC-LPHOPBHVSA-N 0 3 433.557 0.808 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@@H]2C)CC1 ZINC001596136863 1072454439 /nfs/dbraw/zinc/45/44/39/1072454439.db2.gz UZKBORXXFKHVAC-QFBILLFUSA-N 0 3 433.557 0.808 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCN3CCOC3=O)C[C@H]2C)CC1 ZINC001596136864 1072454467 /nfs/dbraw/zinc/45/44/67/1072454467.db2.gz UZKBORXXFKHVAC-VQIMIIECSA-N 0 3 433.557 0.808 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@H]2C)CC1 ZINC001596143769 1072455136 /nfs/dbraw/zinc/45/51/36/1072455136.db2.gz LPKYMXCUWIEYRO-AEFFLSMTSA-N 0 3 444.588 0.427 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@@H]2C)CC1 ZINC001596143770 1072455732 /nfs/dbraw/zinc/45/57/32/1072455732.db2.gz LPKYMXCUWIEYRO-FUHWJXTLSA-N 0 3 444.588 0.427 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@H]2C)CC1 ZINC001596143771 1072455795 /nfs/dbraw/zinc/45/57/95/1072455795.db2.gz LPKYMXCUWIEYRO-SJLPKXTDSA-N 0 3 444.588 0.427 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3nnn(C)n3)C[C@@H]2C)CC1 ZINC001596143772 1072455825 /nfs/dbraw/zinc/45/58/25/1072455825.db2.gz LPKYMXCUWIEYRO-WMZOPIPTSA-N 0 3 444.588 0.427 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596144871 1072455703 /nfs/dbraw/zinc/45/57/03/1072455703.db2.gz VESPVPCIWYFZNS-APWZRJJASA-N 0 3 431.585 0.698 20 0 ICADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596144872 1072455753 /nfs/dbraw/zinc/45/57/53/1072455753.db2.gz VESPVPCIWYFZNS-LPHOPBHVSA-N 0 3 431.585 0.698 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001596144873 1072456310 /nfs/dbraw/zinc/45/63/10/1072456310.db2.gz VESPVPCIWYFZNS-QFBILLFUSA-N 0 3 431.585 0.698 20 0 ICADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001596144874 1072456335 /nfs/dbraw/zinc/45/63/35/1072456335.db2.gz VESPVPCIWYFZNS-VQIMIIECSA-N 0 3 431.585 0.698 20 0 ICADHN CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001596214457 1072463589 /nfs/dbraw/zinc/46/35/89/1072463589.db2.gz QQBFWXVEKAFVFQ-IBGZPJMESA-N 0 3 433.601 0.867 20 0 ICADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001596214458 1072463647 /nfs/dbraw/zinc/46/36/47/1072463647.db2.gz QQBFWXVEKAFVFQ-LJQANCHMSA-N 0 3 433.601 0.867 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001596238386 1072465608 /nfs/dbraw/zinc/46/56/08/1072465608.db2.gz AGZURCCMJSYXKA-FOIQADDNSA-N 0 3 425.551 0.816 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC001596238387 1072465733 /nfs/dbraw/zinc/46/57/33/1072465733.db2.gz AGZURCCMJSYXKA-MGPUTAFESA-N 0 3 425.551 0.816 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC001596238388 1072465680 /nfs/dbraw/zinc/46/56/80/1072465680.db2.gz AGZURCCMJSYXKA-QRWLVFNGSA-N 0 3 425.551 0.816 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC001596238389 1072465768 /nfs/dbraw/zinc/46/57/68/1072465768.db2.gz AGZURCCMJSYXKA-YWZLYKJASA-N 0 3 425.551 0.816 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001596238910 1072465757 /nfs/dbraw/zinc/46/57/57/1072465757.db2.gz KNRPOXPMUBXOIU-FQEVSTJZSA-N 0 3 425.551 0.890 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001596238911 1072465700 /nfs/dbraw/zinc/46/57/00/1072465700.db2.gz KNRPOXPMUBXOIU-HXUWFJFHSA-N 0 3 425.551 0.890 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC001596238999 1072465715 /nfs/dbraw/zinc/46/57/15/1072465715.db2.gz MVVSDYICFTYOTJ-FCHUYYIVSA-N 0 3 448.520 0.268 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC001596239000 1072465779 /nfs/dbraw/zinc/46/57/79/1072465779.db2.gz MVVSDYICFTYOTJ-FGZHOGPDSA-N 0 3 448.520 0.268 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC001596239001 1072465690 /nfs/dbraw/zinc/46/56/90/1072465690.db2.gz MVVSDYICFTYOTJ-VXKWHMMOSA-N 0 3 448.520 0.268 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC001596239002 1072465622 /nfs/dbraw/zinc/46/56/22/1072465622.db2.gz MVVSDYICFTYOTJ-YADHBBJMSA-N 0 3 448.520 0.268 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC001596239090 1072465724 /nfs/dbraw/zinc/46/57/24/1072465724.db2.gz PKQITSKBEMTXFH-IBGZPJMESA-N 0 3 429.539 0.365 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC001596239091 1072465642 /nfs/dbraw/zinc/46/56/42/1072465642.db2.gz PKQITSKBEMTXFH-LJQANCHMSA-N 0 3 429.539 0.365 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC001596239261 1072465709 /nfs/dbraw/zinc/46/57/09/1072465709.db2.gz UHMMZPHGUJNYSJ-FQEVSTJZSA-N 0 3 439.534 0.659 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC001596239262 1072465658 /nfs/dbraw/zinc/46/56/58/1072465658.db2.gz UHMMZPHGUJNYSJ-HXUWFJFHSA-N 0 3 439.534 0.659 20 0 ICADHN CC(=O)N1CCN(CCn2c(-c3cnccn3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001596282319 1072472201 /nfs/dbraw/zinc/47/22/01/1072472201.db2.gz JDUCGLJSOGKVGE-UHFFFAOYSA-N 0 3 441.584 0.820 20 0 ICADHN CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001596288156 1072473647 /nfs/dbraw/zinc/47/36/47/1072473647.db2.gz BXWWZIVDOHHJII-IBGZPJMESA-N 0 3 446.600 0.171 20 0 ICADHN CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001596288157 1072473722 /nfs/dbraw/zinc/47/37/22/1072473722.db2.gz BXWWZIVDOHHJII-LJQANCHMSA-N 0 3 446.600 0.171 20 0 ICADHN CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)CC2)CC1 ZINC001596290214 1072475671 /nfs/dbraw/zinc/47/56/71/1072475671.db2.gz YSHJKIDRUGAVBC-UHFFFAOYSA-N 0 3 447.628 0.942 20 0 ICADHN CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC001596315698 1072477419 /nfs/dbraw/zinc/47/74/19/1072477419.db2.gz DCQPRJFIWRURFN-GOSISDBHSA-N 0 3 426.525 0.731 20 0 ICADHN CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC001596315699 1072477536 /nfs/dbraw/zinc/47/75/36/1072477536.db2.gz DCQPRJFIWRURFN-SFHVURJKSA-N 0 3 426.525 0.731 20 0 ICADHN CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC001596315772 1072478348 /nfs/dbraw/zinc/47/83/48/1072478348.db2.gz GGKODNKATWEXSM-UHFFFAOYSA-N 0 3 426.525 0.733 20 0 ICADHN CC(C)(c1nnc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)o1)S(C)(=O)=O ZINC001596383223 1072482029 /nfs/dbraw/zinc/48/20/29/1072482029.db2.gz SZSRRMAFXYHEKA-CVEARBPZSA-N 0 3 436.534 0.962 20 0 ICADHN CC(C)(c1nnc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)o1)S(C)(=O)=O ZINC001596383225 1072482735 /nfs/dbraw/zinc/48/27/35/1072482735.db2.gz SZSRRMAFXYHEKA-HOTGVXAUSA-N 0 3 436.534 0.962 20 0 ICADHN CC(C)(c1nnc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)o1)S(C)(=O)=O ZINC001596383227 1072482637 /nfs/dbraw/zinc/48/26/37/1072482637.db2.gz SZSRRMAFXYHEKA-HZPDHXFCSA-N 0 3 436.534 0.962 20 0 ICADHN CC(C)(c1nnc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)o1)S(C)(=O)=O ZINC001596383228 1072482706 /nfs/dbraw/zinc/48/27/06/1072482706.db2.gz SZSRRMAFXYHEKA-JKSUJKDBSA-N 0 3 436.534 0.962 20 0 ICADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001596392204 1072483346 /nfs/dbraw/zinc/48/33/46/1072483346.db2.gz FQYFHUIQDLOYEC-UHFFFAOYSA-N 0 3 443.591 0.716 20 0 ICADHN CN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)C1=O ZINC001596466919 1072492177 /nfs/dbraw/zinc/49/21/77/1072492177.db2.gz YPQPJUYUXKISSH-UHFFFAOYSA-N 0 3 447.923 0.874 20 0 ICADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001596502150 1072494859 /nfs/dbraw/zinc/49/48/59/1072494859.db2.gz KUVSOZNHGZDJET-IBGZPJMESA-N 0 3 441.536 0.714 20 0 ICADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001596502152 1072494808 /nfs/dbraw/zinc/49/48/08/1072494808.db2.gz KUVSOZNHGZDJET-LJQANCHMSA-N 0 3 441.536 0.714 20 0 ICADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C1(n2cnnn2)CCOCC1 ZINC001596502966 1072494843 /nfs/dbraw/zinc/49/48/43/1072494843.db2.gz XPGHBYGGFXIEKN-UHFFFAOYSA-N 0 3 427.553 0.893 20 0 ICADHN NC(=O)[C@H]1CC(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)=NN1c1ccc(F)cc1 ZINC001596543370 1072497830 /nfs/dbraw/zinc/49/78/30/1072497830.db2.gz LMFZDPLZWUYMGM-GOSISDBHSA-N 0 3 444.511 0.578 20 0 ICADHN NC(=O)[C@@H]1CC(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)=NN1c1ccc(F)cc1 ZINC001596543371 1072497988 /nfs/dbraw/zinc/49/79/88/1072497988.db2.gz LMFZDPLZWUYMGM-SFHVURJKSA-N 0 3 444.511 0.578 20 0 ICADHN Cn1nc(I)cc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001596545256 1072497871 /nfs/dbraw/zinc/49/78/71/1072497871.db2.gz ZPEVGLRGEKWULD-UHFFFAOYSA-N 0 3 445.305 0.971 20 0 ICADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001596545591 1072497796 /nfs/dbraw/zinc/49/77/96/1072497796.db2.gz NUNRMHRVJMEPPZ-GOSISDBHSA-N 0 3 427.509 0.719 20 0 ICADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001596545592 1072497942 /nfs/dbraw/zinc/49/79/42/1072497942.db2.gz NUNRMHRVJMEPPZ-SFHVURJKSA-N 0 3 427.509 0.719 20 0 ICADHN CN1CCn2nc(C(=O)NCCCCN3CCN(c4ccccc4)CC3)cc2S1(=O)=O ZINC001596545806 1072498018 /nfs/dbraw/zinc/49/80/18/1072498018.db2.gz WLNPHCYDTWYYIA-UHFFFAOYSA-N 0 3 446.577 0.849 20 0 ICADHN Cc1c(C(=O)N2CCC(O)(COCCO)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC001596586106 1072501986 /nfs/dbraw/zinc/50/19/86/1072501986.db2.gz SIDOPHYHPXJGCI-UHFFFAOYSA-N 0 3 429.521 0.540 20 0 ICADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC(C)CC2)CCO1 ZINC001596625680 1072504354 /nfs/dbraw/zinc/50/43/54/1072504354.db2.gz NJUGYPNDICWRMD-HKUYNNGSSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC(C)CC2)CCO1 ZINC001596625681 1072504427 /nfs/dbraw/zinc/50/44/27/1072504427.db2.gz NJUGYPNDICWRMD-IEBWSBKVSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC(C)CC2)CCO1 ZINC001596625682 1072504501 /nfs/dbraw/zinc/50/45/01/1072504501.db2.gz NJUGYPNDICWRMD-MJGOQNOKSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC(C)CC2)CCO1 ZINC001596625683 1072504397 /nfs/dbraw/zinc/50/43/97/1072504397.db2.gz NJUGYPNDICWRMD-PKOBYXMFSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001596626088 1072504946 /nfs/dbraw/zinc/50/49/46/1072504946.db2.gz SAKZSGIABGVOSP-MSOLQXFVSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001596626089 1072504835 /nfs/dbraw/zinc/50/48/35/1072504835.db2.gz SAKZSGIABGVOSP-QZTJIDSGSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001596626090 1072504817 /nfs/dbraw/zinc/50/48/17/1072504817.db2.gz SAKZSGIABGVOSP-ROUUACIJSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001596626091 1072504980 /nfs/dbraw/zinc/50/49/80/1072504980.db2.gz SAKZSGIABGVOSP-ZWKOTPCHSA-N 0 3 449.600 0.878 20 0 ICADHN CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001596709717 1072517331 /nfs/dbraw/zinc/51/73/31/1072517331.db2.gz NSROSMCLSIZLOU-IBGZPJMESA-N 0 3 442.568 0.553 20 0 ICADHN CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001596709718 1072517001 /nfs/dbraw/zinc/51/70/01/1072517001.db2.gz NSROSMCLSIZLOU-LJQANCHMSA-N 0 3 442.568 0.553 20 0 ICADHN CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001596713008 1072517211 /nfs/dbraw/zinc/51/72/11/1072517211.db2.gz CTQIWMGEDREIHP-UHFFFAOYSA-N 0 3 441.540 0.006 20 0 ICADHN CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001596715254 1072518284 /nfs/dbraw/zinc/51/82/84/1072518284.db2.gz YILBHBLLTOYZQM-GOSISDBHSA-N 0 3 433.557 0.304 20 0 ICADHN CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001596715255 1072518168 /nfs/dbraw/zinc/51/81/68/1072518168.db2.gz YILBHBLLTOYZQM-SFHVURJKSA-N 0 3 433.557 0.304 20 0 ICADHN CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001596723279 1072518995 /nfs/dbraw/zinc/51/89/95/1072518995.db2.gz XHZZFJVGTGIIQO-PMACEKPBSA-N 0 3 433.601 0.913 20 0 ICADHN CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001596723280 1072518967 /nfs/dbraw/zinc/51/89/67/1072518967.db2.gz XHZZFJVGTGIIQO-UXHICEINSA-N 0 3 433.601 0.913 20 0 ICADHN CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001596723281 1072519029 /nfs/dbraw/zinc/51/90/29/1072519029.db2.gz XHZZFJVGTGIIQO-VQTJNVASSA-N 0 3 433.601 0.913 20 0 ICADHN CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001596723282 1072519138 /nfs/dbraw/zinc/51/91/38/1072519138.db2.gz XHZZFJVGTGIIQO-WOJBJXKFSA-N 0 3 433.601 0.913 20 0 ICADHN CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001596736220 1072520006 /nfs/dbraw/zinc/52/00/06/1072520006.db2.gz KAJAPWHVWUNILE-FQEVSTJZSA-N 0 3 427.553 0.949 20 0 ICADHN CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001596736221 1072519953 /nfs/dbraw/zinc/51/99/53/1072519953.db2.gz KAJAPWHVWUNILE-HXUWFJFHSA-N 0 3 427.553 0.949 20 0 ICADHN CC(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001596745636 1072520478 /nfs/dbraw/zinc/52/04/78/1072520478.db2.gz ZSZNRPLGXRIVQJ-UHFFFAOYSA-N 0 3 444.584 0.967 20 0 ICADHN Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)nnn1-c1cccc2c1CCN(C)C2 ZINC001596882764 1072525573 /nfs/dbraw/zinc/52/55/73/1072525573.db2.gz DZDGRCIUKOHTBR-INIZCTEOSA-N 0 3 433.534 0.185 20 0 ICADHN Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)nnn1-c1cccc2c1CCN(C)C2 ZINC001596882765 1072525668 /nfs/dbraw/zinc/52/56/68/1072525668.db2.gz DZDGRCIUKOHTBR-MRXNPFEDSA-N 0 3 433.534 0.185 20 0 ICADHN CNC(=O)CN1CCCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC001596937081 1072530501 /nfs/dbraw/zinc/53/05/01/1072530501.db2.gz XIDNCIVZJSTQNC-UHFFFAOYSA-N 0 3 425.537 0.458 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001597049683 1072534698 /nfs/dbraw/zinc/53/46/98/1072534698.db2.gz CRNNNZPFVCRIHD-AWEZNQCLSA-N 0 3 428.320 0.883 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001597049684 1072534763 /nfs/dbraw/zinc/53/47/63/1072534763.db2.gz CRNNNZPFVCRIHD-CQSZACIVSA-N 0 3 428.320 0.883 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 ZINC001597049733 1072534894 /nfs/dbraw/zinc/53/48/94/1072534894.db2.gz DNVSPAIJXZVSOL-GSHUGGBRSA-N 0 3 436.553 0.777 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 ZINC001597049735 1072534575 /nfs/dbraw/zinc/53/45/75/1072534575.db2.gz DNVSPAIJXZVSOL-PNLZDCPESA-N 0 3 436.553 0.777 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC001597049794 1072534641 /nfs/dbraw/zinc/53/46/41/1072534641.db2.gz FBYGPBOKLIVPIY-LLVKDONJSA-N 0 3 431.278 0.403 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC001597049795 1072534941 /nfs/dbraw/zinc/53/49/41/1072534941.db2.gz FBYGPBOKLIVPIY-NSHDSACASA-N 0 3 431.278 0.403 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001597049996 1072534545 /nfs/dbraw/zinc/53/45/45/1072534545.db2.gz HFFBRIQRGAMUPU-KRWDZBQOSA-N 0 3 449.556 0.572 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001597049997 1072534972 /nfs/dbraw/zinc/53/49/72/1072534972.db2.gz HFFBRIQRGAMUPU-QGZVFWFLSA-N 0 3 449.556 0.572 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001597050445 1072535044 /nfs/dbraw/zinc/53/50/44/1072535044.db2.gz NYJZIUUOONYEOC-INIZCTEOSA-N 0 3 447.540 0.449 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001597050446 1072534792 /nfs/dbraw/zinc/53/47/92/1072534792.db2.gz NYJZIUUOONYEOC-MRXNPFEDSA-N 0 3 447.540 0.449 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050690 1072535080 /nfs/dbraw/zinc/53/50/80/1072535080.db2.gz QKZDAXZUGUCGIO-MOPGFXCFSA-N 0 3 449.596 0.472 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050691 1072534671 /nfs/dbraw/zinc/53/46/71/1072534671.db2.gz QKZDAXZUGUCGIO-OALUTQOASA-N 0 3 449.596 0.472 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050693 1072535010 /nfs/dbraw/zinc/53/50/10/1072535010.db2.gz QKZDAXZUGUCGIO-RBUKOAKNSA-N 0 3 449.596 0.472 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 ZINC001597050694 1072534855 /nfs/dbraw/zinc/53/48/55/1072534855.db2.gz QKZDAXZUGUCGIO-RTBURBONSA-N 0 3 449.596 0.472 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001597051145 1072534606 /nfs/dbraw/zinc/53/46/06/1072534606.db2.gz SRGZRNMUEAUOGM-GOSISDBHSA-N 0 3 430.505 0.135 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001597051150 1072534818 /nfs/dbraw/zinc/53/48/18/1072534818.db2.gz SRGZRNMUEAUOGM-SFHVURJKSA-N 0 3 430.505 0.135 20 0 ICADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2cnccc2N2CCN(C)CC2)cc1 ZINC001597123240 1072538225 /nfs/dbraw/zinc/53/82/25/1072538225.db2.gz VACLKLWGWWFJNA-UHFFFAOYSA-N 0 3 446.533 0.709 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CN(C)CC3(C)C)ccc2F)CC1 ZINC001597312582 1072547010 /nfs/dbraw/zinc/54/70/10/1072547010.db2.gz FMEWPXQXXDSTHN-GOSISDBHSA-N 0 3 440.541 0.749 20 0 ICADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CN(C)CC3(C)C)ccc2F)CC1 ZINC001597312589 1072547121 /nfs/dbraw/zinc/54/71/21/1072547121.db2.gz FMEWPXQXXDSTHN-SFHVURJKSA-N 0 3 440.541 0.749 20 0 ICADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001597316360 1072547634 /nfs/dbraw/zinc/54/76/34/1072547634.db2.gz LWOVRZZUSRKGEU-QGZVFWFLSA-N 0 3 431.585 0.890 20 0 ICADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCn1cncn1 ZINC001597317137 1072547729 /nfs/dbraw/zinc/54/77/29/1072547729.db2.gz ZZFQUKHGMBDFDI-UHFFFAOYSA-N 0 3 429.573 0.903 20 0 ICADHN CC(C)(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNS(C)(=O)=O ZINC001597331632 1072550464 /nfs/dbraw/zinc/55/04/64/1072550464.db2.gz YSXVAQFDQZGXCJ-INIZCTEOSA-N 0 3 428.603 0.574 20 0 ICADHN CC(C)(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNS(C)(=O)=O ZINC001597331633 1072550655 /nfs/dbraw/zinc/55/06/55/1072550655.db2.gz YSXVAQFDQZGXCJ-MRXNPFEDSA-N 0 3 428.603 0.574 20 0 ICADHN CC(C)(C)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)CC1 ZINC001597399041 1072553432 /nfs/dbraw/zinc/55/34/32/1072553432.db2.gz IPXSAVIOMLBCJP-UHFFFAOYSA-N 0 3 447.584 0.684 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001597404256 1072553319 /nfs/dbraw/zinc/55/33/19/1072553319.db2.gz BFNVMNQDYSNUSU-INIZCTEOSA-N 0 3 426.525 0.692 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001597404257 1072553577 /nfs/dbraw/zinc/55/35/77/1072553577.db2.gz BFNVMNQDYSNUSU-MRXNPFEDSA-N 0 3 426.525 0.692 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001597405219 1072554130 /nfs/dbraw/zinc/55/41/30/1072554130.db2.gz VWPWKFTXXPGZQF-INIZCTEOSA-N 0 3 429.587 0.764 20 0 ICADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001597405221 1072554151 /nfs/dbraw/zinc/55/41/51/1072554151.db2.gz VWPWKFTXXPGZQF-MRXNPFEDSA-N 0 3 429.587 0.764 20 0 ICADHN CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)CC1 ZINC001597409857 1072554494 /nfs/dbraw/zinc/55/44/94/1072554494.db2.gz LBUOKJWSHDMYPH-UHFFFAOYSA-N 0 3 427.500 0.702 20 0 ICADHN CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)CC1 ZINC001597410022 1072554546 /nfs/dbraw/zinc/55/45/46/1072554546.db2.gz NRVNCCQAAPIAED-UHFFFAOYSA-N 0 3 445.572 0.495 20 0 ICADHN CCN1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC001597578608 1072564525 /nfs/dbraw/zinc/56/45/25/1072564525.db2.gz AOGPSYDGPFRZJT-UHFFFAOYSA-N 0 3 434.484 0.832 20 0 ICADHN CCN1CCN(C2CN(C(=O)C3(NS(=O)(=O)c4c(C)noc4C)CCCC3)C2)CC1 ZINC001597579207 1072564571 /nfs/dbraw/zinc/56/45/71/1072564571.db2.gz JACZRDIRZNWZOJ-UHFFFAOYSA-N 0 3 439.582 0.731 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)ccc2[nH]c1=O ZINC001597594424 1072565975 /nfs/dbraw/zinc/56/59/75/1072565975.db2.gz CQMHNWGLYQEHIM-FOIQADDNSA-N 0 3 436.534 0.770 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)ccc2[nH]c1=O ZINC001597594425 1072566081 /nfs/dbraw/zinc/56/60/81/1072566081.db2.gz CQMHNWGLYQEHIM-MGPUTAFESA-N 0 3 436.534 0.770 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)ccc2[nH]c1=O ZINC001597594426 1072566015 /nfs/dbraw/zinc/56/60/15/1072566015.db2.gz CQMHNWGLYQEHIM-QRWLVFNGSA-N 0 3 436.534 0.770 20 0 ICADHN CN(C)CCn1c2cc(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)ccc2[nH]c1=O ZINC001597594427 1072565868 /nfs/dbraw/zinc/56/58/68/1072565868.db2.gz CQMHNWGLYQEHIM-YWZLYKJASA-N 0 3 436.534 0.770 20 0 ICADHN CCN1CCN(CCC(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001597675950 1072570667 /nfs/dbraw/zinc/57/06/67/1072570667.db2.gz RNRPVBJLLXAMBG-KRWDZBQOSA-N 0 3 438.569 0.883 20 0 ICADHN CCN1CCN(CCC(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001597675951 1072570431 /nfs/dbraw/zinc/57/04/31/1072570431.db2.gz RNRPVBJLLXAMBG-QGZVFWFLSA-N 0 3 438.569 0.883 20 0 ICADHN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CC(N[C@@H]2CCOC2)C1 ZINC001597695092 1072571152 /nfs/dbraw/zinc/57/11/52/1072571152.db2.gz ROSDFZLNNXEPIN-CYBMUJFWSA-N 0 3 429.926 0.564 20 0 ICADHN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CC(N[C@H]2CCOC2)C1 ZINC001597695094 1072570976 /nfs/dbraw/zinc/57/09/76/1072570976.db2.gz ROSDFZLNNXEPIN-ZDUSSCGKSA-N 0 3 429.926 0.564 20 0 ICADHN NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001597699617 1072571695 /nfs/dbraw/zinc/57/16/95/1072571695.db2.gz DWMJGXACEZJNQJ-MRVPVSSYSA-N 0 3 438.731 0.953 20 0 ICADHN NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1 ZINC001597699618 1072571865 /nfs/dbraw/zinc/57/18/65/1072571865.db2.gz DWMJGXACEZJNQJ-QMMMGPOBSA-N 0 3 438.731 0.953 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001597944703 1072584943 /nfs/dbraw/zinc/58/49/43/1072584943.db2.gz FDWGKNTZAOSKIR-NRFANRHFSA-N 0 3 439.578 0.893 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001597944705 1072584829 /nfs/dbraw/zinc/58/48/29/1072584829.db2.gz FDWGKNTZAOSKIR-OAQYLSRUSA-N 0 3 439.578 0.893 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC001597945435 1072584902 /nfs/dbraw/zinc/58/49/02/1072584902.db2.gz MEHQKEYAECMQAZ-AOMKIAJQSA-N 0 3 435.521 0.862 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC001597945436 1072584851 /nfs/dbraw/zinc/58/48/51/1072584851.db2.gz MEHQKEYAECMQAZ-KSFYIVLOSA-N 0 3 435.521 0.862 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC001597945437 1072585388 /nfs/dbraw/zinc/58/53/88/1072585388.db2.gz MEHQKEYAECMQAZ-OPAMFIHVSA-N 0 3 435.521 0.862 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC001597945438 1072585484 /nfs/dbraw/zinc/58/54/84/1072585484.db2.gz MEHQKEYAECMQAZ-ZHRRBRCNSA-N 0 3 435.521 0.862 20 0 ICADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001597945804 1072585297 /nfs/dbraw/zinc/58/52/97/1072585297.db2.gz XLMMKCALWGRKAF-FQEVSTJZSA-N 0 3 441.550 0.127 20 0 ICADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001597945805 1072585635 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COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1OC ZINC001603337758 1072647534 /nfs/dbraw/zinc/64/75/34/1072647534.db2.gz VYPDFBRBRBABML-HOTGVXAUSA-N 0 3 427.523 0.040 20 0 ICADHN COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1OC ZINC001603337759 1072647268 /nfs/dbraw/zinc/64/72/68/1072647268.db2.gz VYPDFBRBRBABML-HZPDHXFCSA-N 0 3 427.523 0.040 20 0 ICADHN COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1OC ZINC001603337760 1072647442 /nfs/dbraw/zinc/64/74/42/1072647442.db2.gz VYPDFBRBRBABML-JKSUJKDBSA-N 0 3 427.523 0.040 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1=O ZINC001603337917 1072647125 /nfs/dbraw/zinc/64/71/25/1072647125.db2.gz WRORIIFOSMPODD-HOIFWPIMSA-N 0 3 430.505 0.520 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1=O ZINC001603337925 1072647093 /nfs/dbraw/zinc/64/70/93/1072647093.db2.gz WRORIIFOSMPODD-JKSBSHDWSA-N 0 3 430.505 0.520 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1=O ZINC001603337932 1072647307 /nfs/dbraw/zinc/64/73/07/1072647307.db2.gz WRORIIFOSMPODD-JLHGSKIFSA-N 0 3 430.505 0.520 20 0 ICADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1=O ZINC001603337934 1072647498 /nfs/dbraw/zinc/64/74/98/1072647498.db2.gz WRORIIFOSMPODD-YVHKJVDXSA-N 0 3 430.505 0.520 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001603338166 1072647245 /nfs/dbraw/zinc/64/72/45/1072647245.db2.gz YQYBDFUMHIRYKT-MSOLQXFVSA-N 0 3 440.566 0.750 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001603338167 1072647478 /nfs/dbraw/zinc/64/74/78/1072647478.db2.gz YQYBDFUMHIRYKT-QZTJIDSGSA-N 0 3 440.566 0.750 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001603338168 1072647219 /nfs/dbraw/zinc/64/72/19/1072647219.db2.gz YQYBDFUMHIRYKT-ROUUACIJSA-N 0 3 440.566 0.750 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001603338169 1072647329 /nfs/dbraw/zinc/64/73/29/1072647329.db2.gz YQYBDFUMHIRYKT-ZWKOTPCHSA-N 0 3 440.566 0.750 20 0 ICADHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1S(=O)(=O)N1CCOCC1 ZINC001603338223 1072647069 /nfs/dbraw/zinc/64/70/69/1072647069.db2.gz ZENWCWZTTNZRIF-MOPGFXCFSA-N 0 3 437.562 0.687 20 0 ICADHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1S(=O)(=O)N1CCOCC1 ZINC001603338231 1072647353 /nfs/dbraw/zinc/64/73/53/1072647353.db2.gz ZENWCWZTTNZRIF-OALUTQOASA-N 0 3 437.562 0.687 20 0 ICADHN Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1S(=O)(=O)N1CCOCC1 ZINC001603338232 1072647418 /nfs/dbraw/zinc/64/74/18/1072647418.db2.gz ZENWCWZTTNZRIF-RBUKOAKNSA-N 0 3 437.562 0.687 20 0 ICADHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1S(=O)(=O)N1CCOCC1 ZINC001603338233 1072647282 /nfs/dbraw/zinc/64/72/82/1072647282.db2.gz ZENWCWZTTNZRIF-RTBURBONSA-N 0 3 437.562 0.687 20 0 ICADHN CC(C)Cc1nnc(N(C)CCNS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001603356438 1072648056 /nfs/dbraw/zinc/64/80/56/1072648056.db2.gz YDRBQZVHHQADPT-UHFFFAOYSA-N 0 3 429.635 0.488 20 0 ICADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001603489842 1072650273 /nfs/dbraw/zinc/65/02/73/1072650273.db2.gz XRFUZYZVZRJIFR-UHFFFAOYSA-N 0 3 428.603 0.574 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCS(C)(=O)=O ZINC001603656181 1072654958 /nfs/dbraw/zinc/65/49/58/1072654958.db2.gz IHTKAIDJOZRJAZ-KRWDZBQOSA-N 0 3 440.614 0.654 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCS(C)(=O)=O ZINC001603656182 1072654992 /nfs/dbraw/zinc/65/49/92/1072654992.db2.gz IHTKAIDJOZRJAZ-QGZVFWFLSA-N 0 3 440.614 0.654 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)NCC1CC1 ZINC001603656222 1072655005 /nfs/dbraw/zinc/65/50/05/1072655005.db2.gz IRZIPGPEYCAVQS-UHFFFAOYSA-N 0 3 431.585 0.747 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNC(=O)C1CC1 ZINC001603657521 1072655426 /nfs/dbraw/zinc/65/54/26/1072655426.db2.gz SIWADMSZRSKFAP-GOSISDBHSA-N 0 3 431.585 0.746 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNC(=O)C1CC1 ZINC001603657522 1072655481 /nfs/dbraw/zinc/65/54/81/1072655481.db2.gz SIWADMSZRSKFAP-SFHVURJKSA-N 0 3 431.585 0.746 20 0 ICADHN CCOC(=O)N1C[C@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)[C@@H](CO)C1 ZINC001603663109 1072655982 /nfs/dbraw/zinc/65/59/82/1072655982.db2.gz HTRJZWUYRZDLRQ-AEFFLSMTSA-N 0 3 442.520 0.743 20 0 ICADHN CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC001603663110 1072655995 /nfs/dbraw/zinc/65/59/95/1072655995.db2.gz HTRJZWUYRZDLRQ-FUHWJXTLSA-N 0 3 442.520 0.743 20 0 ICADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC001603663111 1072656050 /nfs/dbraw/zinc/65/60/50/1072656050.db2.gz HTRJZWUYRZDLRQ-SJLPKXTDSA-N 0 3 442.520 0.743 20 0 ICADHN CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC001603663112 1072656021 /nfs/dbraw/zinc/65/60/21/1072656021.db2.gz HTRJZWUYRZDLRQ-WMZOPIPTSA-N 0 3 442.520 0.743 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001606589773 1072661085 /nfs/dbraw/zinc/66/10/85/1072661085.db2.gz AKSZAHXPIDIBAI-GOSISDBHSA-N 0 3 434.585 0.917 20 0 ICADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001606589774 1072661091 /nfs/dbraw/zinc/66/10/91/1072661091.db2.gz AKSZAHXPIDIBAI-SFHVURJKSA-N 0 3 434.585 0.917 20 0 ICADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001607464287 1072675579 /nfs/dbraw/zinc/67/55/79/1072675579.db2.gz BVQRKYOSSHVMCF-UHFFFAOYSA-N 0 3 431.545 0.347 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)CC1 ZINC001607514012 1072677906 /nfs/dbraw/zinc/67/79/06/1072677906.db2.gz IHIWGPXVBVZVAC-INIZCTEOSA-N 0 3 442.586 0.068 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)CC1 ZINC001607514015 1072677842 /nfs/dbraw/zinc/67/78/42/1072677842.db2.gz IHIWGPXVBVZVAC-MRXNPFEDSA-N 0 3 442.586 0.068 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001607514393 1072677735 /nfs/dbraw/zinc/67/77/35/1072677735.db2.gz MRNIQGMHVLUYDY-CYBMUJFWSA-N 0 3 431.463 0.686 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001607514394 1072677757 /nfs/dbraw/zinc/67/77/57/1072677757.db2.gz MRNIQGMHVLUYDY-ZDUSSCGKSA-N 0 3 431.463 0.686 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)CC1 ZINC001607514428 1072677897 /nfs/dbraw/zinc/67/78/97/1072677897.db2.gz NIASUQWPWXYQNC-KRWDZBQOSA-N 0 3 433.557 0.256 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)CC1 ZINC001607514429 1072677788 /nfs/dbraw/zinc/67/77/88/1072677788.db2.gz NIASUQWPWXYQNC-QGZVFWFLSA-N 0 3 433.557 0.256 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001607523234 1072678387 /nfs/dbraw/zinc/67/83/87/1072678387.db2.gz SEYXYUORUOCBCI-KRWDZBQOSA-N 0 3 426.587 0.596 20 0 ICADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001607523237 1072678419 /nfs/dbraw/zinc/67/84/19/1072678419.db2.gz SEYXYUORUOCBCI-QGZVFWFLSA-N 0 3 426.587 0.596 20 0 ICADHN CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 ZINC001607547256 1072678973 /nfs/dbraw/zinc/67/89/73/1072678973.db2.gz PJJFTFYDCVBHMK-UHFFFAOYSA-N 0 3 435.598 0.981 20 0 ICADHN Cc1c(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001607889094 1072687297 /nfs/dbraw/zinc/68/72/97/1072687297.db2.gz DTMOLILITWCRFT-GOEBONIOSA-N 0 3 432.550 0.751 20 0 ICADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001608158308 1072693056 /nfs/dbraw/zinc/69/30/56/1072693056.db2.gz CTNROVVXPFYBBZ-GOSISDBHSA-N 0 3 439.630 0.385 20 0 ICADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC4CC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001608158311 1072693076 /nfs/dbraw/zinc/69/30/76/1072693076.db2.gz CTNROVVXPFYBBZ-SFHVURJKSA-N 0 3 439.630 0.385 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCN1CCCC1 ZINC001608200778 1072696048 /nfs/dbraw/zinc/69/60/48/1072696048.db2.gz IUXAVRBFNHKJMR-UHFFFAOYSA-N 0 3 441.602 0.372 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CCn2cccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001608281659 1072698158 /nfs/dbraw/zinc/69/81/58/1072698158.db2.gz NMLUGRFAGBXOLR-UHFFFAOYSA-N 0 3 431.589 0.775 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCN1CCC[C@@H]1C ZINC001608469431 1072709565 /nfs/dbraw/zinc/70/95/65/1072709565.db2.gz MKOUCIUBCUWSDA-HNNXBMFYSA-N 0 3 428.541 0.557 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCN1CCC[C@H]1C ZINC001608469432 1072709480 /nfs/dbraw/zinc/70/94/80/1072709480.db2.gz MKOUCIUBCUWSDA-OAHLLOKOSA-N 0 3 428.541 0.557 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001608469616 1072709684 /nfs/dbraw/zinc/70/96/84/1072709684.db2.gz NXKMODYOBNWGHT-HRCADAONSA-N 0 3 436.513 0.377 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001608469617 1072709432 /nfs/dbraw/zinc/70/94/32/1072709432.db2.gz NXKMODYOBNWGHT-JYJNAYRXSA-N 0 3 436.513 0.377 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001608469618 1072709698 /nfs/dbraw/zinc/70/96/98/1072709698.db2.gz NXKMODYOBNWGHT-OWCLPIDISA-N 0 3 436.513 0.377 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001608469619 1072709598 /nfs/dbraw/zinc/70/95/98/1072709598.db2.gz NXKMODYOBNWGHT-PMPSAXMXSA-N 0 3 436.513 0.377 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(C)COC1 ZINC001608537794 1072713323 /nfs/dbraw/zinc/71/33/23/1072713323.db2.gz AZRVKHVDSNQVGS-INIZCTEOSA-N 0 3 433.557 0.196 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(C)COC1 ZINC001608537795 1072713486 /nfs/dbraw/zinc/71/34/86/1072713486.db2.gz AZRVKHVDSNQVGS-MRXNPFEDSA-N 0 3 433.557 0.196 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(C)(C)O ZINC001608537819 1072713418 /nfs/dbraw/zinc/71/34/18/1072713418.db2.gz CCYSELZUCCKFMG-UHFFFAOYSA-N 0 3 435.573 0.322 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCCCO ZINC001608537821 1072713383 /nfs/dbraw/zinc/71/33/83/1072713383.db2.gz CENSAFRNEPBZBN-KRWDZBQOSA-N 0 3 435.573 0.322 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCCCO ZINC001608537822 1072713518 /nfs/dbraw/zinc/71/35/18/1072713518.db2.gz CENSAFRNEPBZBN-QGZVFWFLSA-N 0 3 435.573 0.322 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOC(C)(C)C ZINC001608538037 1072713442 /nfs/dbraw/zinc/71/34/42/1072713442.db2.gz HPAWRZXRGVUXBI-KRWDZBQOSA-N 0 3 449.600 0.974 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOC(C)(C)C ZINC001608538038 1072713909 /nfs/dbraw/zinc/71/39/09/1072713909.db2.gz HPAWRZXRGVUXBI-QGZVFWFLSA-N 0 3 449.600 0.974 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCN1CCC[C@H]1C ZINC001608538906 1072713879 /nfs/dbraw/zinc/71/38/79/1072713879.db2.gz WYGJFGSGTKEQDK-MSOLQXFVSA-N 0 3 447.584 0.728 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCN1CCC[C@H]1C ZINC001608538908 1072713871 /nfs/dbraw/zinc/71/38/71/1072713871.db2.gz WYGJFGSGTKEQDK-QZTJIDSGSA-N 0 3 447.584 0.728 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCN1CCC[C@@H]1C ZINC001608538911 1072713857 /nfs/dbraw/zinc/71/38/57/1072713857.db2.gz WYGJFGSGTKEQDK-ROUUACIJSA-N 0 3 447.584 0.728 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCN1CCC[C@@H]1C ZINC001608538913 1072713956 /nfs/dbraw/zinc/71/39/56/1072713956.db2.gz WYGJFGSGTKEQDK-ZWKOTPCHSA-N 0 3 447.584 0.728 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCc1ccn(C)n1 ZINC001608578631 1072716715 /nfs/dbraw/zinc/71/67/15/1072716715.db2.gz CLCZYMMKKMMPOD-UHFFFAOYSA-N 0 3 430.557 0.694 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H]1COCCO1 ZINC001608578753 1072716636 /nfs/dbraw/zinc/71/66/36/1072716636.db2.gz GDLHBJIPYKYEOU-FUHWJXTLSA-N 0 3 436.557 0.521 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1COCCO1 ZINC001608578754 1072716581 /nfs/dbraw/zinc/71/65/81/1072716581.db2.gz GDLHBJIPYKYEOU-WMZOPIPTSA-N 0 3 436.557 0.521 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1cnn(C)c1 ZINC001608579150 1072716662 /nfs/dbraw/zinc/71/66/62/1072716662.db2.gz LFNOXANZWZSALS-MRXNPFEDSA-N 0 3 430.557 0.888 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001608579968 1072716688 /nfs/dbraw/zinc/71/66/88/1072716688.db2.gz SOSJJXNJYOZODM-UHFFFAOYSA-N 0 3 436.557 0.259 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001608580151 1072717231 /nfs/dbraw/zinc/71/72/31/1072717231.db2.gz XWKJRPNMXSUKBZ-UHFFFAOYSA-N 0 3 446.600 0.253 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccn(C)n1 ZINC001608580152 1072717182 /nfs/dbraw/zinc/71/71/82/1072717182.db2.gz XXLKYZBKARKNDL-MRXNPFEDSA-N 0 3 430.557 0.888 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCNC(=O)C(C)C ZINC001608592818 1072717755 /nfs/dbraw/zinc/71/77/55/1072717755.db2.gz OCLRJJKVAJPOIE-UHFFFAOYSA-N 0 3 449.600 0.737 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCc1cn[nH]c1 ZINC001608593415 1072718168 /nfs/dbraw/zinc/71/81/68/1072718168.db2.gz YRZHMQIRBKKDNT-UHFFFAOYSA-N 0 3 430.557 0.931 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCN1CCCCC1 ZINC001608604846 1072718785 /nfs/dbraw/zinc/71/87/85/1072718785.db2.gz HGKWQJSTGWVAPC-INIZCTEOSA-N 0 3 441.602 0.372 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001608607251 1072719851 /nfs/dbraw/zinc/71/98/51/1072719851.db2.gz RHADFIFGKKODSM-DLBZAZTESA-N 0 3 433.557 0.074 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001608607252 1072719748 /nfs/dbraw/zinc/71/97/48/1072719748.db2.gz RHADFIFGKKODSM-IAGOWNOFSA-N 0 3 433.557 0.074 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001608607253 1072719892 /nfs/dbraw/zinc/71/98/92/1072719892.db2.gz RHADFIFGKKODSM-IRXDYDNUSA-N 0 3 433.557 0.074 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001608607254 1072719913 /nfs/dbraw/zinc/71/99/13/1072719913.db2.gz RHADFIFGKKODSM-SJORKVTESA-N 0 3 433.557 0.074 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001609513612 1072722949 /nfs/dbraw/zinc/72/29/49/1072722949.db2.gz IUSNWEUHHNKTPX-PMACEKPBSA-N 0 3 438.598 0.849 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001609513613 1072723078 /nfs/dbraw/zinc/72/30/78/1072723078.db2.gz IUSNWEUHHNKTPX-UXHICEINSA-N 0 3 438.598 0.849 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001609513614 1072723039 /nfs/dbraw/zinc/72/30/39/1072723039.db2.gz IUSNWEUHHNKTPX-VQTJNVASSA-N 0 3 438.598 0.849 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001609513615 1072722991 /nfs/dbraw/zinc/72/29/91/1072722991.db2.gz IUSNWEUHHNKTPX-WOJBJXKFSA-N 0 3 438.598 0.849 20 0 ICADHN CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001609792248 1072725380 /nfs/dbraw/zinc/72/53/80/1072725380.db2.gz AOFMLERITQVXPE-UHFFFAOYSA-N 0 3 428.541 0.951 20 0 ICADHN CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001610016191 1072729024 /nfs/dbraw/zinc/72/90/24/1072729024.db2.gz AVUOUSJHFGMNCB-HNNXBMFYSA-N 0 3 441.602 0.478 20 0 ICADHN CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001610016192 1072728950 /nfs/dbraw/zinc/72/89/50/1072728950.db2.gz AVUOUSJHFGMNCB-OAHLLOKOSA-N 0 3 441.602 0.478 20 0 ICADHN CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001610016224 1072728877 /nfs/dbraw/zinc/72/88/77/1072728877.db2.gz BYXSTKNEVCQUSH-UHFFFAOYSA-N 0 3 447.584 0.587 20 0 ICADHN CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001610016961 1072728934 /nfs/dbraw/zinc/72/89/34/1072728934.db2.gz JQCAPBPANHMTID-GOSISDBHSA-N 0 3 448.616 0.546 20 0 ICADHN CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001610016976 1072728977 /nfs/dbraw/zinc/72/89/77/1072728977.db2.gz JQCAPBPANHMTID-SFHVURJKSA-N 0 3 448.616 0.546 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001610055775 1072729998 /nfs/dbraw/zinc/72/99/98/1072729998.db2.gz ILUXBQFYQKLFNG-GOSISDBHSA-N 0 3 442.568 0.551 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001610055776 1072729922 /nfs/dbraw/zinc/72/99/22/1072729922.db2.gz ILUXBQFYQKLFNG-SFHVURJKSA-N 0 3 442.568 0.551 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001610057358 1072730406 /nfs/dbraw/zinc/73/04/06/1072730406.db2.gz ONPLEEXGCKNDNI-KRWDZBQOSA-N 0 3 428.541 0.541 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001610057359 1072730457 /nfs/dbraw/zinc/73/04/57/1072730457.db2.gz ONPLEEXGCKNDNI-QGZVFWFLSA-N 0 3 428.541 0.541 20 0 ICADHN CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001610058013 1072730594 /nfs/dbraw/zinc/73/05/94/1072730594.db2.gz ZEJVJJPQXUBKSC-UHFFFAOYSA-N 0 3 440.552 0.609 20 0 ICADHN Cn1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(I)n1 ZINC001610064461 1072730714 /nfs/dbraw/zinc/73/07/14/1072730714.db2.gz JZYWMARKJTYHAB-GFCCVEGCSA-N 0 3 431.278 0.579 20 0 ICADHN Cn1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(I)n1 ZINC001610064462 1072730631 /nfs/dbraw/zinc/73/06/31/1072730631.db2.gz JZYWMARKJTYHAB-LBPRGKRZSA-N 0 3 431.278 0.579 20 0 ICADHN CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC001610065262 1072730383 /nfs/dbraw/zinc/73/03/83/1072730383.db2.gz QECDDJXLMDXPRD-DLBZAZTESA-N 0 3 436.553 0.507 20 0 ICADHN CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC001610065263 1072730485 /nfs/dbraw/zinc/73/04/85/1072730485.db2.gz QECDDJXLMDXPRD-IAGOWNOFSA-N 0 3 436.553 0.507 20 0 ICADHN CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC001610065264 1072730570 /nfs/dbraw/zinc/73/05/70/1072730570.db2.gz QECDDJXLMDXPRD-IRXDYDNUSA-N 0 3 436.553 0.507 20 0 ICADHN CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC001610065265 1072730370 /nfs/dbraw/zinc/73/03/70/1072730370.db2.gz QECDDJXLMDXPRD-SJORKVTESA-N 0 3 436.553 0.507 20 0 ICADHN Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001610065893 1072730549 /nfs/dbraw/zinc/73/05/49/1072730549.db2.gz WYJUJYKXCFLHMX-AWEZNQCLSA-N 0 3 428.580 0.479 20 0 ICADHN Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001610065894 1072730524 /nfs/dbraw/zinc/73/05/24/1072730524.db2.gz WYJUJYKXCFLHMX-CQSZACIVSA-N 0 3 428.580 0.479 20 0 ICADHN CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001610112127 1072733152 /nfs/dbraw/zinc/73/31/52/1072733152.db2.gz MNWNVFJACZFEPJ-UHFFFAOYSA-N 0 3 447.584 0.474 20 0 ICADHN CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001610305285 1072740544 /nfs/dbraw/zinc/74/05/44/1072740544.db2.gz QWSWARCUAOYEFX-KRWDZBQOSA-N 0 3 426.587 0.642 20 0 ICADHN CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001610305286 1072740608 /nfs/dbraw/zinc/74/06/08/1072740608.db2.gz QWSWARCUAOYEFX-QGZVFWFLSA-N 0 3 426.587 0.642 20 0 ICADHN CC(C)O[C@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001610903919 1072746343 /nfs/dbraw/zinc/74/63/43/1072746343.db2.gz PLWGGAGGIXBEPG-JOCHJYFZSA-N 0 3 449.600 0.281 20 0 ICADHN CC(C)O[C@@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001610903923 1072746493 /nfs/dbraw/zinc/74/64/93/1072746493.db2.gz PLWGGAGGIXBEPG-QFIPXVFZSA-N 0 3 449.600 0.281 20 0 ICADHN Cn1c2ccc(NC(=O)CCC(=O)N3CCN(CC4CCOCC4)CC3)nc2n(C)c1=O ZINC001610925211 1072748211 /nfs/dbraw/zinc/74/82/11/1072748211.db2.gz QWMVWKSZAZFZHI-UHFFFAOYSA-N 0 3 444.536 0.562 20 0 ICADHN CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001611069589 1072755605 /nfs/dbraw/zinc/75/56/05/1072755605.db2.gz AIPREZWPUGNSTI-INIZCTEOSA-N 0 3 444.602 0.614 20 0 ICADHN CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001611069592 1072755661 /nfs/dbraw/zinc/75/56/61/1072755661.db2.gz AIPREZWPUGNSTI-MRXNPFEDSA-N 0 3 444.602 0.614 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cn(C)nc1I ZINC001611094012 1072757674 /nfs/dbraw/zinc/75/76/74/1072757674.db2.gz LWYVSEAFQOSSHJ-GFCCVEGCSA-N 0 3 433.294 0.697 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cn(C)nc1I ZINC001611094013 1072757579 /nfs/dbraw/zinc/75/75/79/1072757579.db2.gz LWYVSEAFQOSSHJ-LBPRGKRZSA-N 0 3 433.294 0.697 20 0 ICADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@@H]1CCN1C1CCOCC1 ZINC001611211408 1072765056 /nfs/dbraw/zinc/76/50/56/1072765056.db2.gz FQNWECQWQLVLCI-INIZCTEOSA-N 0 3 443.591 0.681 20 0 ICADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@H]1CCN1C1CCOCC1 ZINC001611211409 1072765189 /nfs/dbraw/zinc/76/51/89/1072765189.db2.gz FQNWECQWQLVLCI-MRXNPFEDSA-N 0 3 443.591 0.681 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCN2C2CCOCC2)c1 ZINC001611212632 1072765166 /nfs/dbraw/zinc/76/51/66/1072765166.db2.gz QMQKEPOWEOXEQJ-KRWDZBQOSA-N 0 3 440.566 0.248 20 0 ICADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCN2C2CCOCC2)c1 ZINC001611212635 1072765217 /nfs/dbraw/zinc/76/52/17/1072765217.db2.gz QMQKEPOWEOXEQJ-QGZVFWFLSA-N 0 3 440.566 0.248 20 0 ICADHN C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001611345449 1072772168 /nfs/dbraw/zinc/77/21/68/1072772168.db2.gz UKVODRKQGWBUME-FGTMMUONSA-N 0 3 449.600 0.815 20 0 ICADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001611345450 1072772189 /nfs/dbraw/zinc/77/21/89/1072772189.db2.gz UKVODRKQGWBUME-KURKYZTESA-N 0 3 449.600 0.815 20 0 ICADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001611345451 1072772027 /nfs/dbraw/zinc/77/20/27/1072772027.db2.gz UKVODRKQGWBUME-KZNAEPCWSA-N 0 3 449.600 0.815 20 0 ICADHN C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001611345452 1072772089 /nfs/dbraw/zinc/77/20/89/1072772089.db2.gz UKVODRKQGWBUME-SQNIBIBYSA-N 0 3 449.600 0.815 20 0 ICADHN CCN1CCN(C(=O)CNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC001611388128 1072775109 /nfs/dbraw/zinc/77/51/09/1072775109.db2.gz BEWSVOGVSROLFS-UHFFFAOYSA-N 0 3 425.537 0.458 20 0 ICADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCCCC1 ZINC001611396053 1072775052 /nfs/dbraw/zinc/77/50/52/1072775052.db2.gz UBTKLTDYCQLFGI-BRWVUGGUSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)N1CCCCC1 ZINC001611396054 1072775063 /nfs/dbraw/zinc/77/50/63/1072775063.db2.gz UBTKLTDYCQLFGI-IKGGRYGDSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)N1CCCCC1 ZINC001611396055 1072775724 /nfs/dbraw/zinc/77/57/24/1072775724.db2.gz UBTKLTDYCQLFGI-IXDOHACOSA-N 0 3 438.598 0.756 20 0 ICADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCCCC1 ZINC001611396056 1072775759 /nfs/dbraw/zinc/77/57/59/1072775759.db2.gz UBTKLTDYCQLFGI-ZACQAIPSSA-N 0 3 438.598 0.756 20 0 ICADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccnc2I)CC1=O ZINC001611423916 1072776626 /nfs/dbraw/zinc/77/66/26/1072776626.db2.gz KQGUTSDGCSDVDU-GFCCVEGCSA-N 0 3 446.289 0.595 20 0 ICADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccnc2I)CC1=O ZINC001611423917 1072776741 /nfs/dbraw/zinc/77/67/41/1072776741.db2.gz KQGUTSDGCSDVDU-LBPRGKRZSA-N 0 3 446.289 0.595 20 0 ICADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001611444314 1072777256 /nfs/dbraw/zinc/77/72/56/1072777256.db2.gz MYIPYTOYWPEFCR-UHFFFAOYSA-N 0 3 436.534 0.713 20 0 ICADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C ZINC001611480325 1072779218 /nfs/dbraw/zinc/77/92/18/1072779218.db2.gz UHZHMETZBODWFR-HNNXBMFYSA-N 0 3 430.513 0.171 20 0 ICADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C ZINC001611480326 1072779310 /nfs/dbraw/zinc/77/93/10/1072779310.db2.gz UHZHMETZBODWFR-OAHLLOKOSA-N 0 3 430.513 0.171 20 0 ICADHN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001611513452 1072781176 /nfs/dbraw/zinc/78/11/76/1072781176.db2.gz BNLTZKMTIYUVFB-INIZCTEOSA-N 0 3 426.514 0.209 20 0 ICADHN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001611513453 1072781061 /nfs/dbraw/zinc/78/10/61/1072781061.db2.gz BNLTZKMTIYUVFB-MRXNPFEDSA-N 0 3 426.514 0.209 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001611588376 1072788854 /nfs/dbraw/zinc/78/88/54/1072788854.db2.gz POAIINCTDASSPA-UHFFFAOYSA-N 0 3 439.520 0.932 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001611607120 1072791345 /nfs/dbraw/zinc/79/13/45/1072791345.db2.gz NYVMDDUSEXWRLS-CVEARBPZSA-N 0 3 426.587 0.772 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001611607121 1072791197 /nfs/dbraw/zinc/79/11/97/1072791197.db2.gz NYVMDDUSEXWRLS-HOTGVXAUSA-N 0 3 426.587 0.772 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001611607122 1072791328 /nfs/dbraw/zinc/79/13/28/1072791328.db2.gz NYVMDDUSEXWRLS-HZPDHXFCSA-N 0 3 426.587 0.772 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001611607123 1072791386 /nfs/dbraw/zinc/79/13/86/1072791386.db2.gz NYVMDDUSEXWRLS-JKSUJKDBSA-N 0 3 426.587 0.772 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O ZINC001611611162 1072791965 /nfs/dbraw/zinc/79/19/65/1072791965.db2.gz MOIONJBHLPRYKG-BZUAXINKSA-N 0 3 426.587 0.612 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O ZINC001611611163 1072791827 /nfs/dbraw/zinc/79/18/27/1072791827.db2.gz MOIONJBHLPRYKG-OAGGEKHMSA-N 0 3 426.587 0.612 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001611611164 1072791813 /nfs/dbraw/zinc/79/18/13/1072791813.db2.gz MOIONJBHLPRYKG-OWCLPIDISA-N 0 3 426.587 0.612 20 0 ICADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001611611165 1072792035 /nfs/dbraw/zinc/79/20/35/1072792035.db2.gz MOIONJBHLPRYKG-PMPSAXMXSA-N 0 3 426.587 0.612 20 0 ICADHN COc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1S(=O)(=O)NCc1ccccn1 ZINC001611670872 1072808602 /nfs/dbraw/zinc/80/86/02/1072808602.db2.gz AKSOATFKYVOVCJ-KRWDZBQOSA-N 0 3 446.529 0.772 20 0 ICADHN COc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1S(=O)(=O)NCc1ccccn1 ZINC001611670873 1072808397 /nfs/dbraw/zinc/80/83/97/1072808397.db2.gz AKSOATFKYVOVCJ-QGZVFWFLSA-N 0 3 446.529 0.772 20 0 ICADHN Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)nc2n(C)c1=O ZINC001611685798 1072819370 /nfs/dbraw/zinc/81/93/70/1072819370.db2.gz QNAHNZIJPURTGH-CABCVRRESA-N 0 3 430.509 0.048 20 0 ICADHN Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)nc2n(C)c1=O ZINC001611685799 1072819122 /nfs/dbraw/zinc/81/91/22/1072819122.db2.gz QNAHNZIJPURTGH-GJZGRUSLSA-N 0 3 430.509 0.048 20 0 ICADHN Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)nc2n(C)c1=O ZINC001611685800 1072819482 /nfs/dbraw/zinc/81/94/82/1072819482.db2.gz QNAHNZIJPURTGH-HUUCEWRRSA-N 0 3 430.509 0.048 20 0 ICADHN Cn1c2ccc(NC(=O)CCC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)nc2n(C)c1=O ZINC001611685801 1072819307 /nfs/dbraw/zinc/81/93/07/1072819307.db2.gz QNAHNZIJPURTGH-LSDHHAIUSA-N 0 3 430.509 0.048 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccco1 ZINC001611706709 1072834843 /nfs/dbraw/zinc/83/48/43/1072834843.db2.gz DLHZTVCIEAYUBT-HNNXBMFYSA-N 0 3 438.554 0.831 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccco1 ZINC001611706710 1072834785 /nfs/dbraw/zinc/83/47/85/1072834785.db2.gz DLHZTVCIEAYUBT-OAHLLOKOSA-N 0 3 438.554 0.831 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001611707105 1072835370 /nfs/dbraw/zinc/83/53/70/1072835370.db2.gz LSMMMONAPQZLEH-DOTOQJQBSA-N 0 3 442.586 0.368 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001611707106 1072835471 /nfs/dbraw/zinc/83/54/71/1072835471.db2.gz LSMMMONAPQZLEH-NVXWUHKLSA-N 0 3 442.586 0.368 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001611715204 1072844063 /nfs/dbraw/zinc/84/40/63/1072844063.db2.gz BGHXSRPMMORYBT-HNNXBMFYSA-N 0 3 440.545 0.996 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001611715205 1072844172 /nfs/dbraw/zinc/84/41/72/1072844172.db2.gz BGHXSRPMMORYBT-OAHLLOKOSA-N 0 3 440.545 0.996 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCN1CCCC(C)(C)C1 ZINC001611716372 1072846187 /nfs/dbraw/zinc/84/61/87/1072846187.db2.gz VLZNRBXGUTUPEC-HNNXBMFYSA-N 0 3 446.643 0.579 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCN1CCCC(C)(C)C1 ZINC001611716373 1072845926 /nfs/dbraw/zinc/84/59/26/1072845926.db2.gz VLZNRBXGUTUPEC-OAHLLOKOSA-N 0 3 446.643 0.579 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611719397 1072850198 /nfs/dbraw/zinc/85/01/98/1072850198.db2.gz UHJXHNPFXSTQSH-AWEZNQCLSA-N 0 3 439.590 0.391 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611719398 1072850099 /nfs/dbraw/zinc/85/00/99/1072850099.db2.gz UHJXHNPFXSTQSH-CQSZACIVSA-N 0 3 439.590 0.391 20 0 ICADHN Cc1nc(Cc2nnc(N3CCNC(=O)CC3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001612411965 1072884514 /nfs/dbraw/zinc/88/45/14/1072884514.db2.gz GKWUSMJBVQWSCY-UHFFFAOYSA-N 0 3 446.625 0.986 20 0 ICADHN Cc1n[nH]c(CCn2c(-c3cnccn3)nnc2N2CCN(CCOC(C)C)CC2)n1 ZINC001612420687 1072886203 /nfs/dbraw/zinc/88/62/03/1072886203.db2.gz NGRLRBLZAOQHKY-UHFFFAOYSA-N 0 3 426.529 0.951 20 0 ICADHN Cc1nc(CCn2c(-c3cnccn3)nnc2N2CCN(CCOC(C)C)CC2)n[nH]1 ZINC001612420687 1072886190 /nfs/dbraw/zinc/88/61/90/1072886190.db2.gz NGRLRBLZAOQHKY-UHFFFAOYSA-N 0 3 426.529 0.951 20 0 ICADHN Cc1nnc(CCn2c(CC3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)[nH]1 ZINC001612423946 1072886523 /nfs/dbraw/zinc/88/65/23/1072886523.db2.gz TZGVCVZANFOHOF-UHFFFAOYSA-N 0 3 429.573 0.890 20 0 ICADHN Cc1nnc(CCn2c(N3CCN(CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)[nH]1 ZINC001612424478 1072886771 /nfs/dbraw/zinc/88/67/71/1072886771.db2.gz NBYRXWGPDGQKJX-UHFFFAOYSA-N 0 3 429.573 0.989 20 0 ICADHN Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001612448343 1072889035 /nfs/dbraw/zinc/88/90/35/1072889035.db2.gz IYANCXULLWLENW-GOSISDBHSA-N 0 3 430.557 0.780 20 0 ICADHN Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001612448344 1072889151 /nfs/dbraw/zinc/88/91/51/1072889151.db2.gz IYANCXULLWLENW-SFHVURJKSA-N 0 3 430.557 0.780 20 0 ICADHN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001612448369 1072889424 /nfs/dbraw/zinc/88/94/24/1072889424.db2.gz JSZSSDYCKUFQKJ-DOTOQJQBSA-N 0 3 436.586 0.768 20 0 ICADHN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001612448370 1072889360 /nfs/dbraw/zinc/88/93/60/1072889360.db2.gz JSZSSDYCKUFQKJ-NVXWUHKLSA-N 0 3 436.586 0.768 20 0 ICADHN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 ZINC001612448371 1072889117 /nfs/dbraw/zinc/88/91/17/1072889117.db2.gz JSZSSDYCKUFQKJ-RDJZCZTQSA-N 0 3 436.586 0.768 20 0 ICADHN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 ZINC001612448372 1072889764 /nfs/dbraw/zinc/88/97/64/1072889764.db2.gz JSZSSDYCKUFQKJ-WBVHZDCISA-N 0 3 436.586 0.768 20 0 ICADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612502275 1072898768 /nfs/dbraw/zinc/89/87/68/1072898768.db2.gz LFSJITNOEDMULY-UHFFFAOYSA-N 0 3 438.602 0.467 20 0 ICADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)N2CCOCC2)n1 ZINC001612503211 1072899250 /nfs/dbraw/zinc/89/92/50/1072899250.db2.gz ZGYLBJNFQGNDKE-UHFFFAOYSA-N 0 3 444.584 0.777 20 0 ICADHN CCOC(=O)c1ncc(Br)c(N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)n1 ZINC001612506682 1072900211 /nfs/dbraw/zinc/90/02/11/1072900211.db2.gz IVNPYIWTZBQAGT-GFCCVEGCSA-N 0 3 444.330 0.429 20 0 ICADHN CCOC(=O)c1ncc(Br)c(N[C@H]2CC(=O)N(CCN(C)CCOC)C2)n1 ZINC001612506683 1072900146 /nfs/dbraw/zinc/90/01/46/1072900146.db2.gz IVNPYIWTZBQAGT-LBPRGKRZSA-N 0 3 444.330 0.429 20 0 ICADHN Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1CCCO)C2 ZINC001612514268 1072900829 /nfs/dbraw/zinc/90/08/29/1072900829.db2.gz WKNOUAJEMXZOLG-INIZCTEOSA-N 0 3 431.545 0.183 20 0 ICADHN Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1CCCO)C2 ZINC001612514272 1072900935 /nfs/dbraw/zinc/90/09/35/1072900935.db2.gz WKNOUAJEMXZOLG-MRXNPFEDSA-N 0 3 431.545 0.183 20 0 ICADHN Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CCN1CC=CCC1 ZINC001612556243 1072903166 /nfs/dbraw/zinc/90/31/66/1072903166.db2.gz CDWWEOLOUPOHNQ-UHFFFAOYSA-N 0 3 429.569 0.789 20 0 ICADHN Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001612571561 1072904480 /nfs/dbraw/zinc/90/44/80/1072904480.db2.gz DPDVMPYETZIBDV-KRWDZBQOSA-N 0 3 441.602 0.047 20 0 ICADHN Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001612571562 1072904495 /nfs/dbraw/zinc/90/44/95/1072904495.db2.gz DPDVMPYETZIBDV-QGZVFWFLSA-N 0 3 441.602 0.047 20 0 ICADHN Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001612574563 1072904980 /nfs/dbraw/zinc/90/49/80/1072904980.db2.gz ARBAIDAIJPAKEN-KRWDZBQOSA-N 0 3 426.587 0.543 20 0 ICADHN Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001612574564 1072904993 /nfs/dbraw/zinc/90/49/93/1072904993.db2.gz ARBAIDAIJPAKEN-QGZVFWFLSA-N 0 3 426.587 0.543 20 0 ICADHN Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCN1CCc2ccccc2C1 ZINC001612592588 1072906906 /nfs/dbraw/zinc/90/69/06/1072906906.db2.gz NGIVQGVWLXAIAQ-UHFFFAOYSA-N 0 3 439.564 0.818 20 0 ICADHN Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCN(C)Cc1ccccc1 ZINC001612592984 1072907471 /nfs/dbraw/zinc/90/74/71/1072907471.db2.gz YSBZTDTVGLJBBI-UHFFFAOYSA-N 0 3 427.553 0.892 20 0 ICADHN Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001612594100 1072908030 /nfs/dbraw/zinc/90/80/30/1072908030.db2.gz QZUAEAMCLMUOEW-GOSISDBHSA-N 0 3 442.503 0.364 20 0 ICADHN Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001612594101 1072907856 /nfs/dbraw/zinc/90/78/56/1072907856.db2.gz QZUAEAMCLMUOEW-SFHVURJKSA-N 0 3 442.503 0.364 20 0 ICADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001612595630 1072908440 /nfs/dbraw/zinc/90/84/40/1072908440.db2.gz YLMUXBBTOYAFRD-UHFFFAOYSA-N 0 3 443.527 0.900 20 0 ICADHN Cc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001612601589 1072909837 /nfs/dbraw/zinc/90/98/37/1072909837.db2.gz NWJYTOUVWVEQIP-UHFFFAOYSA-N 0 3 441.536 0.151 20 0 ICADHN Cc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCCN1CCOCC1 ZINC001612605638 1072910830 /nfs/dbraw/zinc/91/08/30/1072910830.db2.gz UTTFWYPFKLQWOF-JOCHJYFZSA-N 0 3 449.644 0.930 20 0 ICADHN Cc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCCN1CCOCC1 ZINC001612605640 1072910867 /nfs/dbraw/zinc/91/08/67/1072910867.db2.gz UTTFWYPFKLQWOF-QFIPXVFZSA-N 0 3 449.644 0.930 20 0 ICADHN Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CCN1CC=CCC1 ZINC001612606326 1072911238 /nfs/dbraw/zinc/91/12/38/1072911238.db2.gz WXZZIACSSFVAKT-UHFFFAOYSA-N 0 3 426.587 0.725 20 0 ICADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001612655855 1072917301 /nfs/dbraw/zinc/91/73/01/1072917301.db2.gz ONMNAYIOQZRREA-GOSISDBHSA-N 0 3 440.596 0.957 20 0 ICADHN C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001612655856 1072917372 /nfs/dbraw/zinc/91/73/72/1072917372.db2.gz ONMNAYIOQZRREA-SFHVURJKSA-N 0 3 440.596 0.957 20 0 ICADHN C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)N1CCC[C@@H](C)C1 ZINC001612778580 1072921645 /nfs/dbraw/zinc/92/16/45/1072921645.db2.gz KACHNFHHHYESQW-BZUAXINKSA-N 0 3 446.643 0.577 20 0 ICADHN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)N1CCC[C@@H](C)C1 ZINC001612778581 1072921519 /nfs/dbraw/zinc/92/15/19/1072921519.db2.gz KACHNFHHHYESQW-OAGGEKHMSA-N 0 3 446.643 0.577 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H](C)N1CCC[C@@H](C)C1 ZINC001612778582 1072921580 /nfs/dbraw/zinc/92/15/80/1072921580.db2.gz KACHNFHHHYESQW-OWCLPIDISA-N 0 3 446.643 0.577 20 0 ICADHN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)N1CCC[C@@H](C)C1 ZINC001612778583 1072922004 /nfs/dbraw/zinc/92/20/04/1072922004.db2.gz KACHNFHHHYESQW-PMPSAXMXSA-N 0 3 446.643 0.577 20 0 ICADHN C[C@H]1CCCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001612802580 1072922995 /nfs/dbraw/zinc/92/29/95/1072922995.db2.gz BISXLBHENKSZAT-INIZCTEOSA-N 0 3 441.602 0.231 20 0 ICADHN C[C@@H]1CCCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001612802581 1072922898 /nfs/dbraw/zinc/92/28/98/1072922898.db2.gz BISXLBHENKSZAT-MRXNPFEDSA-N 0 3 441.602 0.231 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001612803696 1072922919 /nfs/dbraw/zinc/92/29/19/1072922919.db2.gz MGHSRMRTTPUFHV-GOSISDBHSA-N 0 3 448.616 0.358 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCN1CCC[C@H](C)C1 ZINC001612803697 1072922949 /nfs/dbraw/zinc/92/29/49/1072922949.db2.gz MGHSRMRTTPUFHV-SFHVURJKSA-N 0 3 448.616 0.358 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 ZINC001612822587 1072924529 /nfs/dbraw/zinc/92/45/29/1072924529.db2.gz LAXHDIYRCJDKDN-INIZCTEOSA-N 0 3 443.618 0.522 20 0 ICADHN CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 ZINC001612822588 1072924474 /nfs/dbraw/zinc/92/44/74/1072924474.db2.gz LAXHDIYRCJDKDN-MRXNPFEDSA-N 0 3 443.618 0.522 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001612868700 1072926283 /nfs/dbraw/zinc/92/62/83/1072926283.db2.gz JDQDTYIGZUHGQI-DLBZAZTESA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001612868701 1072926323 /nfs/dbraw/zinc/92/63/23/1072926323.db2.gz JDQDTYIGZUHGQI-IAGOWNOFSA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001612868702 1072926293 /nfs/dbraw/zinc/92/62/93/1072926293.db2.gz JDQDTYIGZUHGQI-IRXDYDNUSA-N 0 3 438.598 0.975 20 0 ICADHN CC1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001612868703 1072926231 /nfs/dbraw/zinc/92/62/31/1072926231.db2.gz JDQDTYIGZUHGQI-SJORKVTESA-N 0 3 438.598 0.975 20 0 ICADHN CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCC(C)CC1 ZINC001612869743 1072926348 /nfs/dbraw/zinc/92/63/48/1072926348.db2.gz GBKBCVBCSCQVRE-UHFFFAOYSA-N 0 3 441.602 0.230 20 0 ICADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCN1CCC(C)CC1 ZINC001612869948 1072926766 /nfs/dbraw/zinc/92/67/66/1072926766.db2.gz JOQVGJFZLLAOSM-HNNXBMFYSA-N 0 3 432.616 0.189 20 0 ICADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCN1CCC(C)CC1 ZINC001612869949 1072926623 /nfs/dbraw/zinc/92/66/23/1072926623.db2.gz JOQVGJFZLLAOSM-OAHLLOKOSA-N 0 3 432.616 0.189 20 0 ICADHN CC1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001612870215 1072926738 /nfs/dbraw/zinc/92/67/38/1072926738.db2.gz PIMNVQANQUHAFI-INIZCTEOSA-N 0 3 426.525 0.969 20 0 ICADHN CC1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001612870216 1072926793 /nfs/dbraw/zinc/92/67/93/1072926793.db2.gz PIMNVQANQUHAFI-MRXNPFEDSA-N 0 3 426.525 0.969 20 0 ICADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001612878385 1072927766 /nfs/dbraw/zinc/92/77/66/1072927766.db2.gz SNSFCYCRZNPSSW-FOIQADDNSA-N 0 3 435.598 0.618 20 0 ICADHN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001612878386 1072927716 /nfs/dbraw/zinc/92/77/16/1072927716.db2.gz SNSFCYCRZNPSSW-MGPUTAFESA-N 0 3 435.598 0.618 20 0 ICADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001612878387 1072927668 /nfs/dbraw/zinc/92/76/68/1072927668.db2.gz SNSFCYCRZNPSSW-QRWLVFNGSA-N 0 3 435.598 0.618 20 0 ICADHN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001612878388 1072927779 /nfs/dbraw/zinc/92/77/79/1072927779.db2.gz SNSFCYCRZNPSSW-YWZLYKJASA-N 0 3 435.598 0.618 20 0 ICADHN C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001613029676 1072953991 /nfs/dbraw/zinc/95/39/91/1072953991.db2.gz AONVPIKNGRJHEL-HTAPYJJXSA-N 0 3 434.585 0.860 20 0 ICADHN C[C@@H]1OCC[C@]1(O)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001613029678 1072954029 /nfs/dbraw/zinc/95/40/29/1072954029.db2.gz AONVPIKNGRJHEL-JTSKRJEESA-N 0 3 434.585 0.860 20 0 ICADHN C[C@H]1OCC[C@@]1(O)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001613029679 1072954124 /nfs/dbraw/zinc/95/41/24/1072954124.db2.gz AONVPIKNGRJHEL-VGOFRKELSA-N 0 3 434.585 0.860 20 0 ICADHN C[C@H]1OCC[C@]1(O)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001613029680 1072954067 /nfs/dbraw/zinc/95/40/67/1072954067.db2.gz AONVPIKNGRJHEL-VGSWGCGISA-N 0 3 434.585 0.860 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCS(=O)(=O)CC ZINC001613304236 1072965537 /nfs/dbraw/zinc/96/55/37/1072965537.db2.gz DONWMKCNDOBEFU-KRWDZBQOSA-N 0 3 440.614 0.971 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCS(=O)(=O)CC ZINC001613304244 1072965637 /nfs/dbraw/zinc/96/56/37/1072965637.db2.gz DONWMKCNDOBEFU-QGZVFWFLSA-N 0 3 440.614 0.971 20 0 ICADHN CC[C@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCN1CC=CCC1 ZINC001613305151 1072965519 /nfs/dbraw/zinc/96/55/19/1072965519.db2.gz NJVMASXEDCLCIT-KRWDZBQOSA-N 0 3 428.545 0.389 20 0 ICADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCN1CC=CCC1 ZINC001613305152 1072965562 /nfs/dbraw/zinc/96/55/62/1072965562.db2.gz NJVMASXEDCLCIT-QGZVFWFLSA-N 0 3 428.545 0.389 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001613412962 1072970268 /nfs/dbraw/zinc/97/02/68/1072970268.db2.gz FVJXYARUJIYSMQ-BZSNNMDCSA-N 0 3 440.614 0.431 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001613412963 1072970384 /nfs/dbraw/zinc/97/03/84/1072970384.db2.gz FVJXYARUJIYSMQ-KSZLIROESA-N 0 3 440.614 0.431 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001613412964 1072970420 /nfs/dbraw/zinc/97/04/20/1072970420.db2.gz FVJXYARUJIYSMQ-OKZBNKHCSA-N 0 3 440.614 0.431 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001613412965 1072970252 /nfs/dbraw/zinc/97/02/52/1072970252.db2.gz FVJXYARUJIYSMQ-RCCFBDPRSA-N 0 3 440.614 0.431 20 0 ICADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001613415166 1072970930 /nfs/dbraw/zinc/97/09/30/1072970930.db2.gz UIYNKIRTPBRCFV-CVEARBPZSA-N 0 3 438.598 0.722 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001613415167 1072970782 /nfs/dbraw/zinc/97/07/82/1072970782.db2.gz UIYNKIRTPBRCFV-HOTGVXAUSA-N 0 3 438.598 0.722 20 0 ICADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001613415168 1072970964 /nfs/dbraw/zinc/97/09/64/1072970964.db2.gz UIYNKIRTPBRCFV-HZPDHXFCSA-N 0 3 438.598 0.722 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001613415169 1072970889 /nfs/dbraw/zinc/97/08/89/1072970889.db2.gz UIYNKIRTPBRCFV-JKSUJKDBSA-N 0 3 438.598 0.722 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001613415218 1072970943 /nfs/dbraw/zinc/97/09/43/1072970943.db2.gz VAZMEYVHMSCRCB-ABSDTBQOSA-N 0 3 441.598 0.906 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001613415219 1072970796 /nfs/dbraw/zinc/97/07/96/1072970796.db2.gz VAZMEYVHMSCRCB-QKLQHJQFSA-N 0 3 441.598 0.906 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001613415220 1072970914 /nfs/dbraw/zinc/97/09/14/1072970914.db2.gz VAZMEYVHMSCRCB-SQGPQFPESA-N 0 3 441.598 0.906 20 0 ICADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001613415221 1072970762 /nfs/dbraw/zinc/97/07/62/1072970762.db2.gz VAZMEYVHMSCRCB-ZWOKBUDYSA-N 0 3 441.598 0.906 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CC1 ZINC001613583860 1072982326 /nfs/dbraw/zinc/98/23/26/1072982326.db2.gz XSAQAQROKXHJLF-KRWDZBQOSA-N 0 3 447.584 0.464 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CC1 ZINC001613583861 1072982218 /nfs/dbraw/zinc/98/22/18/1072982218.db2.gz XSAQAQROKXHJLF-QGZVFWFLSA-N 0 3 447.584 0.464 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001613585332 1072982725 /nfs/dbraw/zinc/98/27/25/1072982725.db2.gz BJVMQRRWJAJVOY-UHFFFAOYSA-N 0 3 448.616 0.501 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001613586185 1072983242 /nfs/dbraw/zinc/98/32/42/1072983242.db2.gz UKGKJQDXUUMDOY-FQEVSTJZSA-N 0 3 437.614 0.912 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001613586187 1072983166 /nfs/dbraw/zinc/98/31/66/1072983166.db2.gz UKGKJQDXUUMDOY-HXUWFJFHSA-N 0 3 437.614 0.912 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)N(C)C ZINC001613588716 1072983556 /nfs/dbraw/zinc/98/35/56/1072983556.db2.gz QYHOBDOVKFEZIE-UHFFFAOYSA-N 0 3 435.573 0.586 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cnnn1C ZINC001613590896 1072983989 /nfs/dbraw/zinc/98/39/89/1072983989.db2.gz MGCJKDYGSZEWAB-INIZCTEOSA-N 0 3 445.572 0.532 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cnnn1C ZINC001613590897 1072984085 /nfs/dbraw/zinc/98/40/85/1072984085.db2.gz MGCJKDYGSZEWAB-MRXNPFEDSA-N 0 3 445.572 0.532 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)NC(C)C ZINC001613590942 1072984025 /nfs/dbraw/zinc/98/40/25/1072984025.db2.gz NPPFTFXAXPIRCW-KRWDZBQOSA-N 0 3 449.600 0.880 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)NC(C)C ZINC001613590943 1072983958 /nfs/dbraw/zinc/98/39/58/1072983958.db2.gz NPPFTFXAXPIRCW-QGZVFWFLSA-N 0 3 449.600 0.880 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001613591948 1072984881 /nfs/dbraw/zinc/98/48/81/1072984881.db2.gz GITTXBMJJRSWCA-KRWDZBQOSA-N 0 3 448.616 0.406 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001613591949 1072984960 /nfs/dbraw/zinc/98/49/60/1072984960.db2.gz GITTXBMJJRSWCA-QGZVFWFLSA-N 0 3 448.616 0.406 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCCC1 ZINC001613593247 1072986229 /nfs/dbraw/zinc/98/62/29/1072986229.db2.gz ZOWMTAZXSWUWBU-UHFFFAOYSA-N 0 3 441.602 0.374 20 0 ICADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001613594783 1072986570 /nfs/dbraw/zinc/98/65/70/1072986570.db2.gz QJENJBPTEQAJKX-UHFFFAOYSA-N 0 3 448.616 0.549 20 0 ICADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001613914677 1073001115 /nfs/dbraw/zinc/00/11/15/1073001115.db2.gz GFWFIDHPCIIQSN-UHFFFAOYSA-N 0 3 440.556 0.791 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCCN1CCOCC1 ZINC001613943090 1073001583 /nfs/dbraw/zinc/00/15/83/1073001583.db2.gz DMOPHZGFAIDENZ-CTNGQTDRSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCN1CCOCC1 ZINC001613943091 1073001756 /nfs/dbraw/zinc/00/17/56/1073001756.db2.gz DMOPHZGFAIDENZ-FPOVZHCZSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCN1CCOCC1 ZINC001613943092 1073001900 /nfs/dbraw/zinc/00/19/00/1073001900.db2.gz DMOPHZGFAIDENZ-PZJWPPBQSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCN1CCOCC1 ZINC001613943093 1073001644 /nfs/dbraw/zinc/00/16/44/1073001644.db2.gz DMOPHZGFAIDENZ-TZIWHRDSSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCc1cnn(C)n1 ZINC001613943967 1073001677 /nfs/dbraw/zinc/00/16/77/1073001677.db2.gz XQNFZQVZFXPSKZ-FXAWDEMLSA-N 0 3 443.600 0.981 20 0 ICADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCc1cnn(C)n1 ZINC001613943968 1073001802 /nfs/dbraw/zinc/00/18/02/1073001802.db2.gz XQNFZQVZFXPSKZ-PXNSSMCTSA-N 0 3 443.600 0.981 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCCc1cnn(C)n1 ZINC001613943969 1073001543 /nfs/dbraw/zinc/00/15/43/1073001543.db2.gz XQNFZQVZFXPSKZ-XLIONFOSSA-N 0 3 443.600 0.981 20 0 ICADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCc1cnn(C)n1 ZINC001613943970 1073001517 /nfs/dbraw/zinc/00/15/17/1073001517.db2.gz XQNFZQVZFXPSKZ-YLJYHZDGSA-N 0 3 443.600 0.981 20 0 ICADHN CCc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CCN(C)CCOC ZINC001613955598 1073003593 /nfs/dbraw/zinc/00/35/93/1073003593.db2.gz SJCPECBHTAVNAR-UHFFFAOYSA-N 0 3 449.600 0.359 20 0 ICADHN CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001613956294 1073003576 /nfs/dbraw/zinc/00/35/76/1073003576.db2.gz PQYOLRMSKCCWDS-IBGZPJMESA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001613956295 1073003477 /nfs/dbraw/zinc/00/34/77/1073003477.db2.gz PQYOLRMSKCCWDS-LJQANCHMSA-N 0 3 447.628 0.942 20 0 ICADHN CCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001613957107 1073003533 /nfs/dbraw/zinc/00/35/33/1073003533.db2.gz OKGNOKIITBAGBX-GOSISDBHSA-N 0 3 435.617 0.846 20 0 ICADHN CCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001613957108 1073003441 /nfs/dbraw/zinc/00/34/41/1073003441.db2.gz OKGNOKIITBAGBX-SFHVURJKSA-N 0 3 435.617 0.846 20 0 ICADHN CCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001613968069 1073003822 /nfs/dbraw/zinc/00/38/22/1073003822.db2.gz UFYSIHIXXSDOOU-APWZRJJASA-N 0 3 446.600 0.633 20 0 ICADHN CCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001613968073 1073003895 /nfs/dbraw/zinc/00/38/95/1073003895.db2.gz UFYSIHIXXSDOOU-LPHOPBHVSA-N 0 3 446.600 0.633 20 0 ICADHN CCc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001613968075 1073004024 /nfs/dbraw/zinc/00/40/24/1073004024.db2.gz UFYSIHIXXSDOOU-QFBILLFUSA-N 0 3 446.600 0.633 20 0 ICADHN CCc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001613968076 1073004440 /nfs/dbraw/zinc/00/44/40/1073004440.db2.gz UFYSIHIXXSDOOU-VQIMIIECSA-N 0 3 446.600 0.633 20 0 ICADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001613971965 1073004399 /nfs/dbraw/zinc/00/43/99/1073004399.db2.gz PHOWYXLITNFHAN-UHFFFAOYSA-N 0 3 428.603 0.717 20 0 ICADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001613972197 1073004591 /nfs/dbraw/zinc/00/45/91/1073004591.db2.gz WNHXXJRUVIGJQY-UHFFFAOYSA-N 0 3 441.598 0.329 20 0 ICADHN CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCN1CCN(CC)CC1 ZINC001613975395 1073004355 /nfs/dbraw/zinc/00/43/55/1073004355.db2.gz XFTYBJGRLZXJAE-UHFFFAOYSA-N 0 3 441.646 0.728 20 0 ICADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001613976263 1073004850 /nfs/dbraw/zinc/00/48/50/1073004850.db2.gz AIUZJMBTCOCVNZ-GOSISDBHSA-N 0 3 441.646 0.773 20 0 ICADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001613976264 1073004915 /nfs/dbraw/zinc/00/49/15/1073004915.db2.gz AIUZJMBTCOCVNZ-SFHVURJKSA-N 0 3 441.646 0.773 20 0 ICADHN CCc1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001613978270 1073005056 /nfs/dbraw/zinc/00/50/56/1073005056.db2.gz ROCKFSQJTWTRRT-GOSISDBHSA-N 0 3 435.617 0.846 20 0 ICADHN CCc1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001613978271 1073004880 /nfs/dbraw/zinc/00/48/80/1073004880.db2.gz ROCKFSQJTWTRRT-SFHVURJKSA-N 0 3 435.617 0.846 20 0 ICADHN CCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001613984531 1073005456 /nfs/dbraw/zinc/00/54/56/1073005456.db2.gz FBVBQVNULWFHMH-KRWDZBQOSA-N 0 3 440.614 0.797 20 0 ICADHN CCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001613984532 1073005506 /nfs/dbraw/zinc/00/55/06/1073005506.db2.gz FBVBQVNULWFHMH-QGZVFWFLSA-N 0 3 440.614 0.797 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001614016829 1073009866 /nfs/dbraw/zinc/00/98/66/1073009866.db2.gz FBSCAKHFMFOISF-KRWDZBQOSA-N 0 3 426.525 0.126 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001614016833 1073009959 /nfs/dbraw/zinc/00/99/59/1073009959.db2.gz FBSCAKHFMFOISF-QGZVFWFLSA-N 0 3 426.525 0.126 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001614017407 1073009928 /nfs/dbraw/zinc/00/99/28/1073009928.db2.gz NEHHPGFEECPANI-MOPGFXCFSA-N 0 3 433.601 0.694 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001614017408 1073009587 /nfs/dbraw/zinc/00/95/87/1073009587.db2.gz NEHHPGFEECPANI-OALUTQOASA-N 0 3 433.601 0.694 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001614017409 1073009756 /nfs/dbraw/zinc/00/97/56/1073009756.db2.gz NEHHPGFEECPANI-RBUKOAKNSA-N 0 3 433.601 0.694 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001614017410 1073009828 /nfs/dbraw/zinc/00/98/28/1073009828.db2.gz NEHHPGFEECPANI-RTBURBONSA-N 0 3 433.601 0.694 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)NCc1ccco1 ZINC001614017969 1073009620 /nfs/dbraw/zinc/00/96/20/1073009620.db2.gz ZLCMHGRAQPGFHZ-KRWDZBQOSA-N 0 3 429.525 0.493 20 0 ICADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)NCc1ccco1 ZINC001614017970 1073009647 /nfs/dbraw/zinc/00/96/47/1073009647.db2.gz ZLCMHGRAQPGFHZ-QGZVFWFLSA-N 0 3 429.525 0.493 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001614018147 1073010409 /nfs/dbraw/zinc/01/04/09/1073010409.db2.gz FYYYEYTZPHFZEP-IBGZPJMESA-N 0 3 433.601 0.553 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001614018148 1073010355 /nfs/dbraw/zinc/01/03/55/1073010355.db2.gz FYYYEYTZPHFZEP-LJQANCHMSA-N 0 3 433.601 0.553 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1CCN(C(C)=O)CC1 ZINC001614018155 1073010267 /nfs/dbraw/zinc/01/02/67/1073010267.db2.gz GFLIFVHMZHFJNW-UHFFFAOYSA-N 0 3 431.585 0.843 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001614018156 1073010323 /nfs/dbraw/zinc/01/03/23/1073010323.db2.gz GIISDZDOOFFDNL-UHFFFAOYSA-N 0 3 438.598 0.552 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001614018259 1073010446 /nfs/dbraw/zinc/01/04/46/1073010446.db2.gz KGTPWNWXVIWYCM-UHFFFAOYSA-N 0 3 440.614 0.798 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001614018414 1073011000 /nfs/dbraw/zinc/01/10/00/1073011000.db2.gz PKEXQWCDZMKMEG-UHFFFAOYSA-N 0 3 427.553 0.978 20 0 ICADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001614018538 1073011019 /nfs/dbraw/zinc/01/10/19/1073011019.db2.gz UVJQTEGKDWMIOE-UHFFFAOYSA-N 0 3 428.541 0.373 20 0 ICADHN CCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CCN(C)Cc1ccccc1 ZINC001614018587 1073010919 /nfs/dbraw/zinc/01/09/19/1073010919.db2.gz XAIZYBXQKHYHLP-UHFFFAOYSA-N 0 3 438.540 0.308 20 0 ICADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCS(=O)(=O)NC(C)C ZINC001614029931 1073013361 /nfs/dbraw/zinc/01/33/61/1073013361.db2.gz AAWMHXXUJNBTJU-MRXNPFEDSA-N 0 3 428.603 0.858 20 0 ICADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001614030224 1073013325 /nfs/dbraw/zinc/01/33/25/1073013325.db2.gz MCCVFUOSUQHIHX-INIZCTEOSA-N 0 3 441.598 0.470 20 0 ICADHN CCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001614030905 1073013795 /nfs/dbraw/zinc/01/37/95/1073013795.db2.gz JHZSRJNACIPWDL-UHFFFAOYSA-N 0 3 448.660 0.857 20 0 ICADHN CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1nc(C)n[nH]1 ZINC001614036614 1073014827 /nfs/dbraw/zinc/01/48/27/1073014827.db2.gz QUHQRGYRYPJWGJ-GOSISDBHSA-N 0 3 431.589 0.741 20 0 ICADHN CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1n[nH]c(C)n1 ZINC001614036614 1073014812 /nfs/dbraw/zinc/01/48/12/1073014812.db2.gz QUHQRGYRYPJWGJ-GOSISDBHSA-N 0 3 431.589 0.741 20 0 ICADHN CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1nc(C)n[nH]1 ZINC001614036615 1073015377 /nfs/dbraw/zinc/01/53/77/1073015377.db2.gz QUHQRGYRYPJWGJ-SFHVURJKSA-N 0 3 431.589 0.741 20 0 ICADHN CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1n[nH]c(C)n1 ZINC001614036615 1073015369 /nfs/dbraw/zinc/01/53/69/1073015369.db2.gz QUHQRGYRYPJWGJ-SFHVURJKSA-N 0 3 431.589 0.741 20 0 ICADHN CCc1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001614036925 1073015289 /nfs/dbraw/zinc/01/52/89/1073015289.db2.gz AJEWVEHBLNCIHI-INIZCTEOSA-N 0 3 436.582 0.888 20 0 ICADHN CCc1nnc(N2CCN(CCOC)[C@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001614036926 1073015168 /nfs/dbraw/zinc/01/51/68/1073015168.db2.gz AJEWVEHBLNCIHI-MRXNPFEDSA-N 0 3 436.582 0.888 20 0 ICADHN CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001614039331 1073017148 /nfs/dbraw/zinc/01/71/48/1073017148.db2.gz VSTJITBHVICKLL-KRWDZBQOSA-N 0 3 427.619 0.196 20 0 ICADHN CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001614039332 1073017288 /nfs/dbraw/zinc/01/72/88/1073017288.db2.gz VSTJITBHVICKLL-QGZVFWFLSA-N 0 3 427.619 0.196 20 0 ICADHN CCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001614039884 1073017732 /nfs/dbraw/zinc/01/77/32/1073017732.db2.gz IDVWBMGIKBKSIP-HRAATJIYSA-N 0 3 433.557 0.814 20 0 ICADHN CCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001614039885 1073017898 /nfs/dbraw/zinc/01/78/98/1073017898.db2.gz IDVWBMGIKBKSIP-IERDGZPVSA-N 0 3 433.557 0.814 20 0 ICADHN CCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001614039886 1073017975 /nfs/dbraw/zinc/01/79/75/1073017975.db2.gz IDVWBMGIKBKSIP-IIBYNOLFSA-N 0 3 433.557 0.814 20 0 ICADHN CCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001614039887 1073017863 /nfs/dbraw/zinc/01/78/63/1073017863.db2.gz IDVWBMGIKBKSIP-KKSFZXQISA-N 0 3 433.557 0.814 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001614074728 1073023026 /nfs/dbraw/zinc/02/30/26/1073023026.db2.gz AXJAYSQBCHAQGB-CVEARBPZSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001614074729 1073022889 /nfs/dbraw/zinc/02/28/89/1073022889.db2.gz AXJAYSQBCHAQGB-HOTGVXAUSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001614074730 1073022927 /nfs/dbraw/zinc/02/29/27/1073022927.db2.gz AXJAYSQBCHAQGB-HZPDHXFCSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001614074731 1073022985 /nfs/dbraw/zinc/02/29/85/1073022985.db2.gz AXJAYSQBCHAQGB-JKSUJKDBSA-N 0 3 438.598 0.769 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001614075750 1073023216 /nfs/dbraw/zinc/02/32/16/1073023216.db2.gz MNFBSUPQLUFPKO-KSZLIROESA-N 0 3 447.584 0.440 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001614075751 1073023339 /nfs/dbraw/zinc/02/33/39/1073023339.db2.gz MNFBSUPQLUFPKO-KURKYZTESA-N 0 3 447.584 0.440 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001614075752 1073023269 /nfs/dbraw/zinc/02/32/69/1073023269.db2.gz MNFBSUPQLUFPKO-KZNAEPCWSA-N 0 3 447.584 0.440 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001614075753 1073023159 /nfs/dbraw/zinc/02/31/59/1073023159.db2.gz MNFBSUPQLUFPKO-RCCFBDPRSA-N 0 3 447.584 0.440 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001614078690 1073024728 /nfs/dbraw/zinc/02/47/28/1073024728.db2.gz VVRGGEKXWPAQNR-MSOLQXFVSA-N 0 3 431.585 0.888 20 0 ICADHN CC[C@@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001614078691 1073024533 /nfs/dbraw/zinc/02/45/33/1073024533.db2.gz VVRGGEKXWPAQNR-QZTJIDSGSA-N 0 3 431.585 0.888 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001614078692 1073024447 /nfs/dbraw/zinc/02/44/47/1073024447.db2.gz VVRGGEKXWPAQNR-ROUUACIJSA-N 0 3 431.585 0.888 20 0 ICADHN CC[C@H]1C(=O)NCCN1c1nnc(CC2CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001614078693 1073024634 /nfs/dbraw/zinc/02/46/34/1073024634.db2.gz VVRGGEKXWPAQNR-ZWKOTPCHSA-N 0 3 431.585 0.888 20 0 ICADHN CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CCN1CCOC ZINC001614230002 1073031454 /nfs/dbraw/zinc/03/14/54/1073031454.db2.gz FBEBFMYBPAAFHH-AZUAARDMSA-N 0 3 446.600 0.946 20 0 ICADHN CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)CCN1CCOC ZINC001614230003 1073031976 /nfs/dbraw/zinc/03/19/76/1073031976.db2.gz FBEBFMYBPAAFHH-ICSRJNTNSA-N 0 3 446.600 0.946 20 0 ICADHN CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CCN1CCOC ZINC001614230004 1073031929 /nfs/dbraw/zinc/03/19/29/1073031929.db2.gz FBEBFMYBPAAFHH-QUCCMNQESA-N 0 3 446.600 0.946 20 0 ICADHN CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)CCN1CCOC ZINC001614230005 1073031632 /nfs/dbraw/zinc/03/16/32/1073031632.db2.gz FBEBFMYBPAAFHH-UYAOXDASSA-N 0 3 446.600 0.946 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001614718079 1073052574 /nfs/dbraw/zinc/05/25/74/1073052574.db2.gz MZBWXTGLOSZWMZ-CVEARBPZSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001614718081 1073052143 /nfs/dbraw/zinc/05/21/43/1073052143.db2.gz MZBWXTGLOSZWMZ-HOTGVXAUSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001614718082 1073052257 /nfs/dbraw/zinc/05/22/57/1073052257.db2.gz MZBWXTGLOSZWMZ-HZPDHXFCSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001614718083 1073052488 /nfs/dbraw/zinc/05/24/88/1073052488.db2.gz MZBWXTGLOSZWMZ-JKSUJKDBSA-N 0 3 426.587 0.579 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001614718123 1073052213 /nfs/dbraw/zinc/05/22/13/1073052213.db2.gz NUTBDXCWYJOVEE-INIZCTEOSA-N 0 3 442.586 0.801 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 ZINC001614718125 1073052544 /nfs/dbraw/zinc/05/25/44/1073052544.db2.gz NUTBDXCWYJOVEE-MRXNPFEDSA-N 0 3 442.586 0.801 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001614718437 1073052322 /nfs/dbraw/zinc/05/23/22/1073052322.db2.gz USWZPEBJMJUSST-JXFKEZNVSA-N 0 3 438.598 0.976 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001614718439 1073052395 /nfs/dbraw/zinc/05/23/95/1073052395.db2.gz USWZPEBJMJUSST-OXJNMPFZSA-N 0 3 438.598 0.976 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001614718440 1073052359 /nfs/dbraw/zinc/05/23/59/1073052359.db2.gz USWZPEBJMJUSST-OXQOHEQNSA-N 0 3 438.598 0.976 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001614718442 1073052190 /nfs/dbraw/zinc/05/21/90/1073052190.db2.gz USWZPEBJMJUSST-UZLBHIALSA-N 0 3 438.598 0.976 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001614718658 1073052236 /nfs/dbraw/zinc/05/22/36/1073052236.db2.gz RBIFHXKCBPDNQA-MSOLQXFVSA-N 0 3 440.614 0.433 20 0 ICADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001614718659 1073052449 /nfs/dbraw/zinc/05/24/49/1073052449.db2.gz RBIFHXKCBPDNQA-QZTJIDSGSA-N 0 3 440.614 0.433 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001614718660 1073052278 /nfs/dbraw/zinc/05/22/78/1073052278.db2.gz RBIFHXKCBPDNQA-ROUUACIJSA-N 0 3 440.614 0.433 20 0 ICADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001614718661 1073052513 /nfs/dbraw/zinc/05/25/13/1073052513.db2.gz RBIFHXKCBPDNQA-ZWKOTPCHSA-N 0 3 440.614 0.433 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001614833313 1073055709 /nfs/dbraw/zinc/05/57/09/1073055709.db2.gz WQCFGQWQQACEPG-IKGGRYGDSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001614833314 1073055773 /nfs/dbraw/zinc/05/57/73/1073055773.db2.gz WQCFGQWQQACEPG-IXDOHACOSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001614833315 1073055564 /nfs/dbraw/zinc/05/55/64/1073055564.db2.gz WQCFGQWQQACEPG-ULQDDVLXSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001614833316 1073055512 /nfs/dbraw/zinc/05/55/12/1073055512.db2.gz WQCFGQWQQACEPG-YESZJQIVSA-N 0 3 438.598 0.579 20 0 ICADHN CCCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001614843242 1073055741 /nfs/dbraw/zinc/05/57/41/1073055741.db2.gz BBMIOYNHNJGAMK-BZSNNMDCSA-N 0 3 441.598 0.969 20 0 ICADHN CCCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001614843244 1073056081 /nfs/dbraw/zinc/05/60/81/1073056081.db2.gz BBMIOYNHNJGAMK-SQNIBIBYSA-N 0 3 441.598 0.969 20 0 ICADHN CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001614952827 1073062532 /nfs/dbraw/zinc/06/25/32/1073062532.db2.gz KRDJDVZWOGAKPL-HNNXBMFYSA-N 0 3 443.618 0.725 20 0 ICADHN CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001614952828 1073062486 /nfs/dbraw/zinc/06/24/86/1073062486.db2.gz KRDJDVZWOGAKPL-OAHLLOKOSA-N 0 3 443.618 0.725 20 0 ICADHN CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001614954547 1073062945 /nfs/dbraw/zinc/06/29/45/1073062945.db2.gz WTNDOLHHZDTHFQ-UHFFFAOYSA-N 0 3 447.584 0.731 20 0 ICADHN CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001614960120 1073062994 /nfs/dbraw/zinc/06/29/94/1073062994.db2.gz HWFAPPAQOYWZGD-GOSISDBHSA-N 0 3 442.568 0.932 20 0 ICADHN CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001614960124 1073063020 /nfs/dbraw/zinc/06/30/20/1073063020.db2.gz HWFAPPAQOYWZGD-SFHVURJKSA-N 0 3 442.568 0.932 20 0 ICADHN CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001614968480 1073064530 /nfs/dbraw/zinc/06/45/30/1073064530.db2.gz KOWUWUAQKSTPLZ-UHFFFAOYSA-N 0 3 447.584 0.589 20 0 ICADHN CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001614979016 1073066323 /nfs/dbraw/zinc/06/63/23/1073066323.db2.gz ABDNKLMEIMHDRF-UHFFFAOYSA-N 0 3 443.556 0.252 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001614982344 1073067588 /nfs/dbraw/zinc/06/75/88/1073067588.db2.gz YHENVPJLLIXJIW-DOTOQJQBSA-N 0 3 433.557 0.445 20 0 ICADHN CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001614982346 1073067937 /nfs/dbraw/zinc/06/79/37/1073067937.db2.gz YHENVPJLLIXJIW-RDJZCZTQSA-N 0 3 433.557 0.445 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001614984514 1073069206 /nfs/dbraw/zinc/06/92/06/1073069206.db2.gz URIASUYLBYNWRO-KRWDZBQOSA-N 0 3 433.557 0.053 20 0 ICADHN CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001614984515 1073069330 /nfs/dbraw/zinc/06/93/30/1073069330.db2.gz URIASUYLBYNWRO-QGZVFWFLSA-N 0 3 433.557 0.053 20 0 ICADHN CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001614986219 1073069597 /nfs/dbraw/zinc/06/95/97/1073069597.db2.gz JZFPKQPFQBGPHC-IBGZPJMESA-N 0 3 427.553 0.949 20 0 ICADHN CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001614986222 1073069655 /nfs/dbraw/zinc/06/96/55/1073069655.db2.gz JZFPKQPFQBGPHC-LJQANCHMSA-N 0 3 427.553 0.949 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001614993329 1073071168 /nfs/dbraw/zinc/07/11/68/1073071168.db2.gz XLVVYNUWXWVLLB-DLBZAZTESA-N 0 3 433.557 0.399 20 0 ICADHN CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001614993330 1073071220 /nfs/dbraw/zinc/07/12/20/1073071220.db2.gz XLVVYNUWXWVLLB-IAGOWNOFSA-N 0 3 433.557 0.399 20 0 ICADHN CCCS(=O)(=O)NC1CCN(c2nnc(C)n2CCCN2CCN(CC)CC2)CC1 ZINC001615046732 1073072547 /nfs/dbraw/zinc/07/25/47/1073072547.db2.gz FYJMAMCYDVZGSJ-UHFFFAOYSA-N 0 3 441.646 0.912 20 0 ICADHN CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001615089208 1073073495 /nfs/dbraw/zinc/07/34/95/1073073495.db2.gz LIHARQLCJQRKJZ-UHFFFAOYSA-N 0 3 433.557 0.293 20 0 ICADHN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001615090808 1073074148 /nfs/dbraw/zinc/07/41/48/1073074148.db2.gz SOPJNBULFFPORZ-UHFFFAOYSA-N 0 3 435.573 0.443 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001615095940 1073074451 /nfs/dbraw/zinc/07/44/51/1073074451.db2.gz KZCDNMYIFMZGRP-UHFFFAOYSA-N 0 3 440.552 0.563 20 0 ICADHN CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001615099047 1073074873 /nfs/dbraw/zinc/07/48/73/1073074873.db2.gz NKVFYTCGTONTBL-UHFFFAOYSA-N 0 3 428.541 0.762 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001615356346 1073088182 /nfs/dbraw/zinc/08/81/82/1073088182.db2.gz BQRIBTXCUHGBLF-ROUUACIJSA-N 0 3 442.630 0.679 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001615356352 1073088227 /nfs/dbraw/zinc/08/82/27/1073088227.db2.gz BQRIBTXCUHGBLF-ZWKOTPCHSA-N 0 3 442.630 0.679 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001615357848 1073088319 /nfs/dbraw/zinc/08/83/19/1073088319.db2.gz LRRGCLKWTCYYFZ-HOTGVXAUSA-N 0 3 428.603 0.871 20 0 ICADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001615357851 1073088265 /nfs/dbraw/zinc/08/82/65/1073088265.db2.gz LRRGCLKWTCYYFZ-JKSUJKDBSA-N 0 3 428.603 0.871 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001615410700 1073089508 /nfs/dbraw/zinc/08/95/08/1073089508.db2.gz BPRTYJNRVZCYNW-KRWDZBQOSA-N 0 3 440.614 0.827 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001615410701 1073089710 /nfs/dbraw/zinc/08/97/10/1073089710.db2.gz BPRTYJNRVZCYNW-QGZVFWFLSA-N 0 3 440.614 0.827 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001615411249 1073089337 /nfs/dbraw/zinc/08/93/37/1073089337.db2.gz LOCUTVGSIZSPFD-INIZCTEOSA-N 0 3 448.572 0.380 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)F)CC1 ZINC001615411824 1073089470 /nfs/dbraw/zinc/08/94/70/1073089470.db2.gz SQHMILSBJAMXAK-UHFFFAOYSA-N 0 3 433.479 0.969 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn[nH]c2)CC1 ZINC001615411835 1073089679 /nfs/dbraw/zinc/08/96/79/1073089679.db2.gz TXBQVFLGLQXPLM-UHFFFAOYSA-N 0 3 445.572 0.373 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2nncn2C)CC1 ZINC001615413399 1073089629 /nfs/dbraw/zinc/08/96/29/1073089629.db2.gz BXGNKPXZIUOWDF-UHFFFAOYSA-N 0 3 438.540 0.507 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001615413591 1073089740 /nfs/dbraw/zinc/08/97/40/1073089740.db2.gz GAQPALODOABXMO-UHFFFAOYSA-N 0 3 427.553 0.919 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001615414195 1073089392 /nfs/dbraw/zinc/08/93/92/1073089392.db2.gz LXURSTRRXBCQBZ-UHFFFAOYSA-N 0 3 426.587 0.544 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSC)CC1 ZINC001615415466 1073090023 /nfs/dbraw/zinc/09/00/23/1073090023.db2.gz AEYYBLIMUUCVJD-INIZCTEOSA-N 0 3 437.614 0.973 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSC)CC1 ZINC001615415467 1073090253 /nfs/dbraw/zinc/09/02/53/1073090253.db2.gz AEYYBLIMUUCVJD-MRXNPFEDSA-N 0 3 437.614 0.973 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001615415515 1073089906 /nfs/dbraw/zinc/08/99/06/1073089906.db2.gz CEBXPOZTFJSUAC-UHFFFAOYSA-N 0 3 441.602 0.037 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccn(C)n2)CC1 ZINC001615415522 1073090205 /nfs/dbraw/zinc/09/02/05/1073090205.db2.gz CHVSWOISBLIGFS-UHFFFAOYSA-N 0 3 440.556 0.451 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CCS(C)(=O)=O)CC1 ZINC001615415577 1073090099 /nfs/dbraw/zinc/09/00/99/1073090099.db2.gz DPBPUVPOSCWWFO-UHFFFAOYSA-N 0 3 426.587 0.581 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2COCCO2)CC1 ZINC001615416054 1073090114 /nfs/dbraw/zinc/09/01/14/1073090114.db2.gz SNDAEQCOVHRZIL-LJQANCHMSA-N 0 3 443.552 0.746 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO2)CC1 ZINC001615416075 1073090071 /nfs/dbraw/zinc/09/00/71/1073090071.db2.gz UFATZJHONUXPRA-QGZVFWFLSA-N 0 3 428.541 0.905 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCC(=O)N2CCOCC2)CC1 ZINC001615416082 1073090087 /nfs/dbraw/zinc/09/00/87/1073090087.db2.gz UNQHOTHFOIPLID-UHFFFAOYSA-N 0 3 447.584 0.395 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCC2)CC1 ZINC001615416102 1073090132 /nfs/dbraw/zinc/09/01/32/1073090132.db2.gz VJHZRYDKOYZFJH-UHFFFAOYSA-N 0 3 430.557 0.584 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2COCCO2)CC1 ZINC001615416174 1073089872 /nfs/dbraw/zinc/08/98/72/1073089872.db2.gz XNWMOURSCVYSKV-KRWDZBQOSA-N 0 3 431.541 0.679 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2COCCO2)CC1 ZINC001615416175 1073090150 /nfs/dbraw/zinc/09/01/50/1073090150.db2.gz XNWMOURSCVYSKV-QGZVFWFLSA-N 0 3 431.541 0.679 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nncn2C)CC1 ZINC001615416233 1073090727 /nfs/dbraw/zinc/09/07/27/1073090727.db2.gz ZHXCNFXCHBLLHY-UHFFFAOYSA-N 0 3 426.529 0.440 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001615416243 1073090756 /nfs/dbraw/zinc/09/07/56/1073090756.db2.gz ZRFQINQRPHHXNC-FGTMMUONSA-N 0 3 447.584 0.645 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001615416244 1073090697 /nfs/dbraw/zinc/09/06/97/1073090697.db2.gz ZRFQINQRPHHXNC-KZNAEPCWSA-N 0 3 447.584 0.645 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2)CC1 ZINC001615416312 1073090864 /nfs/dbraw/zinc/09/08/64/1073090864.db2.gz CMHKPTFTBNMRMJ-IBGZPJMESA-N 0 3 444.584 0.944 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2)CC1 ZINC001615416313 1073090479 /nfs/dbraw/zinc/09/04/79/1073090479.db2.gz CMHKPTFTBNMRMJ-LJQANCHMSA-N 0 3 444.584 0.944 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(C)cn2)CC1 ZINC001615416332 1073090497 /nfs/dbraw/zinc/09/04/97/1073090497.db2.gz CWTNLIZZHKWKJY-IBGZPJMESA-N 0 3 444.584 0.978 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(C)cn2)CC1 ZINC001615416333 1073090810 /nfs/dbraw/zinc/09/08/10/1073090810.db2.gz CWTNLIZZHKWKJY-LJQANCHMSA-N 0 3 444.584 0.978 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2nnc(C)s2)CC1 ZINC001615416344 1073090784 /nfs/dbraw/zinc/09/07/84/1073090784.db2.gz DFOHWBDVQMQMEE-INIZCTEOSA-N 0 3 448.597 0.981 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nnc(C)s2)CC1 ZINC001615416345 1073090516 /nfs/dbraw/zinc/09/05/16/1073090516.db2.gz DFOHWBDVQMQMEE-MRXNPFEDSA-N 0 3 448.597 0.981 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2nnn(C)n2)CC1 ZINC001615416389 1073090590 /nfs/dbraw/zinc/09/05/90/1073090590.db2.gz FWOCDNUNYFRFMQ-UHFFFAOYSA-N 0 3 444.588 0.573 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)F)CC1 ZINC001615416467 1073090937 /nfs/dbraw/zinc/09/09/37/1073090937.db2.gz AOYCVULYRXIICJ-UHFFFAOYSA-N 0 3 445.490 0.953 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(C)=O)CC1 ZINC001615416568 1073090452 /nfs/dbraw/zinc/09/04/52/1073090452.db2.gz HOEFKBAHQVVEMR-GOSISDBHSA-N 0 3 435.573 0.299 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(C)=O)CC1 ZINC001615416569 1073090837 /nfs/dbraw/zinc/09/08/37/1073090837.db2.gz HOEFKBAHQVVEMR-SFHVURJKSA-N 0 3 435.573 0.299 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001615416955 1073090620 /nfs/dbraw/zinc/09/06/20/1073090620.db2.gz NHKSZLBNJYMQLM-UHFFFAOYSA-N 0 3 449.600 0.326 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[S@](=O)CC)CC1 ZINC001615417067 1073090537 /nfs/dbraw/zinc/09/05/37/1073090537.db2.gz LSVLJJUJZAZXIQ-BJLXPSRBSA-N 0 3 440.614 0.889 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[S@@](=O)CC)CC1 ZINC001615417068 1073090918 /nfs/dbraw/zinc/09/09/18/1073090918.db2.gz LSVLJJUJZAZXIQ-ZQHDKMAOSA-N 0 3 440.614 0.889 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001615417197 1073090421 /nfs/dbraw/zinc/09/04/21/1073090421.db2.gz OEKRFNWCYADEIA-JOCHJYFZSA-N 0 3 433.601 0.945 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001615417198 1073090892 /nfs/dbraw/zinc/09/08/92/1073090892.db2.gz OEKRFNWCYADEIA-QFIPXVFZSA-N 0 3 433.601 0.945 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001615417380 1073090565 /nfs/dbraw/zinc/09/05/65/1073090565.db2.gz QHZBCNLNZIXFMS-IBGZPJMESA-N 0 3 447.628 0.942 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001615417383 1073090665 /nfs/dbraw/zinc/09/06/65/1073090665.db2.gz QHZBCNLNZIXFMS-LJQANCHMSA-N 0 3 447.628 0.942 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001615417396 1073091429 /nfs/dbraw/zinc/09/14/29/1073091429.db2.gz QICMOHZCPYIQMY-VGOFRKELSA-N 0 3 447.584 0.598 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001615417399 1073091283 /nfs/dbraw/zinc/09/12/83/1073091283.db2.gz QICMOHZCPYIQMY-VGSWGCGISA-N 0 3 447.584 0.598 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(C)O)CC1 ZINC001615417607 1073091328 /nfs/dbraw/zinc/09/13/28/1073091328.db2.gz RXCQSRCIONNTCX-UHFFFAOYSA-N 0 3 449.600 0.552 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)COC2)CC1 ZINC001615417633 1073091095 /nfs/dbraw/zinc/09/10/95/1073091095.db2.gz SOXIGIIZMMQEFT-UHFFFAOYSA-N 0 3 447.584 0.427 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NC(C)C)CC1 ZINC001615417757 1073091134 /nfs/dbraw/zinc/09/11/34/1073091134.db2.gz WMNVGUUMDKEJNN-GOSISDBHSA-N 0 3 449.600 0.687 20 0 ICADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NC(C)C)CC1 ZINC001615417758 1073091488 /nfs/dbraw/zinc/09/14/88/1073091488.db2.gz WMNVGUUMDKEJNN-SFHVURJKSA-N 0 3 449.600 0.687 20 0 ICADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CCN(C(=O)CN3CCCC3)CC1)OC2=O ZINC001615422901 1073091225 /nfs/dbraw/zinc/09/12/25/1073091225.db2.gz MXVNIXGNZBDCOC-KRWDZBQOSA-N 0 3 436.553 0.779 20 0 ICADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCN(C(=O)CN3CCCC3)CC1)OC2=O ZINC001615422903 1073091370 /nfs/dbraw/zinc/09/13/70/1073091370.db2.gz MXVNIXGNZBDCOC-QGZVFWFLSA-N 0 3 436.553 0.779 20 0 ICADHN CCN(CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 ZINC001615453965 1073093851 /nfs/dbraw/zinc/09/38/51/1073093851.db2.gz VAUZKLFPRCRKDD-CQSZACIVSA-N 0 3 438.554 0.971 20 0 ICADHN CCN(CCCn1c(C)nnc1N1CCN(CC2CCOCC2)CC1)S(C)(=O)=O ZINC001615619519 1073096476 /nfs/dbraw/zinc/09/64/76/1073096476.db2.gz LXTWLRSQDWXSPW-UHFFFAOYSA-N 0 3 428.603 0.807 20 0 ICADHN CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001615647286 1073099597 /nfs/dbraw/zinc/09/95/97/1073099597.db2.gz YDRPRLSVSQJRGT-JXFKEZNVSA-N 0 3 438.598 0.975 20 0 ICADHN CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001615647287 1073099984 /nfs/dbraw/zinc/09/99/84/1073099984.db2.gz YDRPRLSVSQJRGT-OXJNMPFZSA-N 0 3 438.598 0.975 20 0 ICADHN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001615647288 1073099838 /nfs/dbraw/zinc/09/98/38/1073099838.db2.gz YDRPRLSVSQJRGT-OXQOHEQNSA-N 0 3 438.598 0.975 20 0 ICADHN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001615647289 1073100068 /nfs/dbraw/zinc/10/00/68/1073100068.db2.gz YDRPRLSVSQJRGT-UZLBHIALSA-N 0 3 438.598 0.975 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C ZINC001615652090 1073100531 /nfs/dbraw/zinc/10/05/31/1073100531.db2.gz MOVPXTIAKUCOGC-CVEARBPZSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C ZINC001615652091 1073100665 /nfs/dbraw/zinc/10/06/65/1073100665.db2.gz MOVPXTIAKUCOGC-HOTGVXAUSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C ZINC001615652092 1073100655 /nfs/dbraw/zinc/10/06/55/1073100655.db2.gz MOVPXTIAKUCOGC-HZPDHXFCSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C ZINC001615652093 1073100464 /nfs/dbraw/zinc/10/04/64/1073100464.db2.gz MOVPXTIAKUCOGC-JKSUJKDBSA-N 0 3 439.586 0.124 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001615652209 1073100484 /nfs/dbraw/zinc/10/04/84/1073100484.db2.gz PIAGQPOYXMQEPV-AEFFLSMTSA-N 0 3 440.614 0.968 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C ZINC001615652210 1073100503 /nfs/dbraw/zinc/10/05/03/1073100503.db2.gz PIAGQPOYXMQEPV-FUHWJXTLSA-N 0 3 440.614 0.968 20 0 ICADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001615652211 1073100586 /nfs/dbraw/zinc/10/05/86/1073100586.db2.gz PIAGQPOYXMQEPV-SJLPKXTDSA-N 0 3 440.614 0.968 20 0 ICADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C ZINC001615652212 1073101241 /nfs/dbraw/zinc/10/12/41/1073101241.db2.gz PIAGQPOYXMQEPV-WMZOPIPTSA-N 0 3 440.614 0.968 20 0 ICADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C1CCCC1 ZINC001615669595 1073102211 /nfs/dbraw/zinc/10/22/11/1073102211.db2.gz GCYYZQPEHRGWKU-INIZCTEOSA-N 0 3 426.587 0.975 20 0 ICADHN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C1CCCC1 ZINC001615669596 1073102266 /nfs/dbraw/zinc/10/22/66/1073102266.db2.gz GCYYZQPEHRGWKU-MRXNPFEDSA-N 0 3 426.587 0.975 20 0 ICADHN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001615672183 1073103380 /nfs/dbraw/zinc/10/33/80/1073103380.db2.gz TWWOLPWFVORXFI-KRWDZBQOSA-N 0 3 442.630 0.679 20 0 ICADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001615672184 1073103363 /nfs/dbraw/zinc/10/33/63/1073103363.db2.gz TWWOLPWFVORXFI-QGZVFWFLSA-N 0 3 442.630 0.679 20 0 ICADHN CCN1C(=O)[C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCN(C)CCOC)CCN2C1=O ZINC001615678152 1073109123 /nfs/dbraw/zinc/10/91/23/1073109123.db2.gz XIVRWCMQPAEJAA-DLBZAZTESA-N 0 3 449.556 0.571 20 0 ICADHN CCN1C(=O)[C@H]2CN(c3nnc([C@H]4CCCCO4)n3CCN(C)CCOC)CCN2C1=O ZINC001615678153 1073109067 /nfs/dbraw/zinc/10/90/67/1073109067.db2.gz XIVRWCMQPAEJAA-IAGOWNOFSA-N 0 3 449.556 0.571 20 0 ICADHN CCN1C(=O)[C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCN(C)CCOC)CCN2C1=O ZINC001615678154 1073109028 /nfs/dbraw/zinc/10/90/28/1073109028.db2.gz XIVRWCMQPAEJAA-IRXDYDNUSA-N 0 3 449.556 0.571 20 0 ICADHN CCN1C(=O)[C@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCN(C)CCOC)CCN2C1=O ZINC001615678155 1073109149 /nfs/dbraw/zinc/10/91/49/1073109149.db2.gz XIVRWCMQPAEJAA-SJORKVTESA-N 0 3 449.556 0.571 20 0 ICADHN CN(CCNC(=O)C1CCN(Cc2nnc3c(=O)n(C)ccn23)CC1)Cc1ccccc1 ZINC001615699573 1073110608 /nfs/dbraw/zinc/11/06/08/1073110608.db2.gz BRHDVPUJKNDHAU-UHFFFAOYSA-N 0 3 437.548 0.888 20 0 ICADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001615732584 1073113936 /nfs/dbraw/zinc/11/39/36/1073113936.db2.gz PRPSESQXONJJNO-INIZCTEOSA-N 0 3 431.545 0.235 20 0 ICADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001615732585 1073113997 /nfs/dbraw/zinc/11/39/97/1073113997.db2.gz PRPSESQXONJJNO-MRXNPFEDSA-N 0 3 431.545 0.235 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001615752200 1073115893 /nfs/dbraw/zinc/11/58/93/1073115893.db2.gz CUJGRKDUWNFQHX-DRMAHVMPSA-N 0 3 446.618 0.595 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001615752201 1073115734 /nfs/dbraw/zinc/11/57/34/1073115734.db2.gz CUJGRKDUWNFQHX-FPXQBCRKSA-N 0 3 446.618 0.595 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001615752202 1073115663 /nfs/dbraw/zinc/11/56/63/1073115663.db2.gz CUJGRKDUWNFQHX-IUVQAAGXSA-N 0 3 446.618 0.595 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001615752203 1073115863 /nfs/dbraw/zinc/11/58/63/1073115863.db2.gz CUJGRKDUWNFQHX-PASDCYSWSA-N 0 3 446.618 0.595 20 0 ICADHN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001615753140 1073115768 /nfs/dbraw/zinc/11/57/68/1073115768.db2.gz JISINSPTKQCTCJ-ILXRZTDVSA-N 0 3 439.590 0.467 20 0 ICADHN CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001615753141 1073115879 /nfs/dbraw/zinc/11/58/79/1073115879.db2.gz JISINSPTKQCTCJ-KKUMJFAQSA-N 0 3 439.590 0.467 20 0 ICADHN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001615753142 1073115831 /nfs/dbraw/zinc/11/58/31/1073115831.db2.gz JISINSPTKQCTCJ-QLFBSQMISA-N 0 3 439.590 0.467 20 0 ICADHN CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001615753143 1073115680 /nfs/dbraw/zinc/11/56/80/1073115680.db2.gz JISINSPTKQCTCJ-SOUVJXGZSA-N 0 3 439.590 0.467 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001615753902 1073115714 /nfs/dbraw/zinc/11/57/14/1073115714.db2.gz NASXDCSVRHBMSF-HRCADAONSA-N 0 3 438.602 0.897 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001615753903 1073116346 /nfs/dbraw/zinc/11/63/46/1073116346.db2.gz NASXDCSVRHBMSF-JYJNAYRXSA-N 0 3 438.602 0.897 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001615753904 1073116315 /nfs/dbraw/zinc/11/63/15/1073116315.db2.gz NASXDCSVRHBMSF-OWCLPIDISA-N 0 3 438.602 0.897 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001615753905 1073116194 /nfs/dbraw/zinc/11/61/94/1073116194.db2.gz NASXDCSVRHBMSF-PMPSAXMXSA-N 0 3 438.602 0.897 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615754939 1073116160 /nfs/dbraw/zinc/11/61/60/1073116160.db2.gz LXIVAOHLXYJETF-JYJNAYRXSA-N 0 3 446.556 0.421 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615754940 1073116070 /nfs/dbraw/zinc/11/60/70/1073116070.db2.gz LXIVAOHLXYJETF-OAGGEKHMSA-N 0 3 446.556 0.421 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615754941 1073116237 /nfs/dbraw/zinc/11/62/37/1073116237.db2.gz LXIVAOHLXYJETF-PMPSAXMXSA-N 0 3 446.556 0.421 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615754942 1073116300 /nfs/dbraw/zinc/11/63/00/1073116300.db2.gz LXIVAOHLXYJETF-XHSDSOJGSA-N 0 3 446.556 0.421 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@H]1C ZINC001615755223 1073116049 /nfs/dbraw/zinc/11/60/49/1073116049.db2.gz YKFVRNKSMJRILC-ILXRZTDVSA-N 0 3 429.591 0.332 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001615755224 1073116034 /nfs/dbraw/zinc/11/60/34/1073116034.db2.gz YKFVRNKSMJRILC-KKUMJFAQSA-N 0 3 429.591 0.332 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@H]1C ZINC001615755225 1073116261 /nfs/dbraw/zinc/11/62/61/1073116261.db2.gz YKFVRNKSMJRILC-QLFBSQMISA-N 0 3 429.591 0.332 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001615755226 1073116366 /nfs/dbraw/zinc/11/63/66/1073116366.db2.gz YKFVRNKSMJRILC-SOUVJXGZSA-N 0 3 429.591 0.332 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615755399 1073116385 /nfs/dbraw/zinc/11/63/85/1073116385.db2.gz ZZJXJSKSAMFZLC-ILXRZTDVSA-N 0 3 429.591 0.286 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615755402 1073116283 /nfs/dbraw/zinc/11/62/83/1073116283.db2.gz ZZJXJSKSAMFZLC-KKUMJFAQSA-N 0 3 429.591 0.286 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615755404 1073116091 /nfs/dbraw/zinc/11/60/91/1073116091.db2.gz ZZJXJSKSAMFZLC-QLFBSQMISA-N 0 3 429.591 0.286 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615755407 1073116218 /nfs/dbraw/zinc/11/62/18/1073116218.db2.gz ZZJXJSKSAMFZLC-SOUVJXGZSA-N 0 3 429.591 0.286 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)C[C@@H]1C ZINC001615755829 1073116115 /nfs/dbraw/zinc/11/61/15/1073116115.db2.gz RCBNPLRGRVIANO-CKJXQJPGSA-N 0 3 429.525 0.996 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C[C@@H]1C ZINC001615755835 1073116336 /nfs/dbraw/zinc/11/63/36/1073116336.db2.gz RCBNPLRGRVIANO-QYWGDWMGSA-N 0 3 429.525 0.996 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)C[C@H]1C ZINC001615755836 1073116870 /nfs/dbraw/zinc/11/68/70/1073116870.db2.gz RCBNPLRGRVIANO-VWKPWSFCSA-N 0 3 429.525 0.996 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001615755837 1073117033 /nfs/dbraw/zinc/11/70/33/1073117033.db2.gz RCBNPLRGRVIANO-XFQAVAEZSA-N 0 3 429.525 0.996 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766184 1073117008 /nfs/dbraw/zinc/11/70/08/1073117008.db2.gz ZXLQXKLMCYENJY-MSOLQXFVSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001615766185 1073116904 /nfs/dbraw/zinc/11/69/04/1073116904.db2.gz ZXLQXKLMCYENJY-QZTJIDSGSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766187 1073116949 /nfs/dbraw/zinc/11/69/49/1073116949.db2.gz ZXLQXKLMCYENJY-ROUUACIJSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001615766189 1073117052 /nfs/dbraw/zinc/11/70/52/1073117052.db2.gz ZXLQXKLMCYENJY-ZWKOTPCHSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615767322 1073116916 /nfs/dbraw/zinc/11/69/16/1073116916.db2.gz GKWRRUNJNDRJMI-VSZNYVQBSA-N 0 3 440.614 0.982 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001615767323 1073116842 /nfs/dbraw/zinc/11/68/42/1073116842.db2.gz GKWRRUNJNDRJMI-WNRNVDISSA-N 0 3 440.614 0.982 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001615767324 1073116813 /nfs/dbraw/zinc/11/68/13/1073116813.db2.gz GKWRRUNJNDRJMI-XLAORIBOSA-N 0 3 440.614 0.982 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615767325 1073116959 /nfs/dbraw/zinc/11/69/59/1073116959.db2.gz GKWRRUNJNDRJMI-XMTFNYHQSA-N 0 3 440.614 0.982 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615768075 1073117021 /nfs/dbraw/zinc/11/70/21/1073117021.db2.gz LFUDWVCFRPKNAU-FJIDUMEYSA-N 0 3 447.584 0.643 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615768077 1073116825 /nfs/dbraw/zinc/11/68/25/1073116825.db2.gz LFUDWVCFRPKNAU-OWSLCNJRSA-N 0 3 447.584 0.643 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615768079 1073116857 /nfs/dbraw/zinc/11/68/57/1073116857.db2.gz LFUDWVCFRPKNAU-XDNAFOTISA-N 0 3 447.584 0.643 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615768081 1073116932 /nfs/dbraw/zinc/11/69/32/1073116932.db2.gz LFUDWVCFRPKNAU-XSLAGTTESA-N 0 3 447.584 0.643 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001615769543 1073117644 /nfs/dbraw/zinc/11/76/44/1073117644.db2.gz SZDQUVAMRGCBLV-IKGGRYGDSA-N 0 3 433.557 0.397 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001615769544 1073117699 /nfs/dbraw/zinc/11/76/99/1073117699.db2.gz SZDQUVAMRGCBLV-IXDOHACOSA-N 0 3 433.557 0.397 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001615769545 1073117773 /nfs/dbraw/zinc/11/77/73/1073117773.db2.gz SZDQUVAMRGCBLV-ULQDDVLXSA-N 0 3 433.557 0.397 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001615769546 1073117831 /nfs/dbraw/zinc/11/78/31/1073117831.db2.gz SZDQUVAMRGCBLV-YESZJQIVSA-N 0 3 433.557 0.397 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@@H]1C ZINC001615769604 1073117792 /nfs/dbraw/zinc/11/77/92/1073117792.db2.gz SIFFFQKHFKRENV-HRCADAONSA-N 0 3 442.586 0.055 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@@H]1C ZINC001615769608 1073117676 /nfs/dbraw/zinc/11/76/76/1073117676.db2.gz SIFFFQKHFKRENV-JYJNAYRXSA-N 0 3 442.586 0.055 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@H]1C ZINC001615769610 1073117768 /nfs/dbraw/zinc/11/77/68/1073117768.db2.gz SIFFFQKHFKRENV-OWCLPIDISA-N 0 3 442.586 0.055 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C[C@H]1C ZINC001615769611 1073117708 /nfs/dbraw/zinc/11/77/08/1073117708.db2.gz SIFFFQKHFKRENV-PMPSAXMXSA-N 0 3 442.586 0.055 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615775246 1073118561 /nfs/dbraw/zinc/11/85/61/1073118561.db2.gz LVGBZEPJSDANLO-JYJNAYRXSA-N 0 3 446.556 0.308 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615775247 1073118417 /nfs/dbraw/zinc/11/84/17/1073118417.db2.gz LVGBZEPJSDANLO-OAGGEKHMSA-N 0 3 446.556 0.308 20 0 ICADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001615775248 1073118512 /nfs/dbraw/zinc/11/85/12/1073118512.db2.gz LVGBZEPJSDANLO-PMPSAXMXSA-N 0 3 446.556 0.308 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001615775249 1073118303 /nfs/dbraw/zinc/11/83/03/1073118303.db2.gz LVGBZEPJSDANLO-XHSDSOJGSA-N 0 3 446.556 0.308 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001615778981 1073118481 /nfs/dbraw/zinc/11/84/81/1073118481.db2.gz YQFSDYMQUVUGCR-NCOADZHNSA-N 0 3 444.602 0.470 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001615778982 1073118593 /nfs/dbraw/zinc/11/85/93/1073118593.db2.gz YQFSDYMQUVUGCR-QAETUUGQSA-N 0 3 444.602 0.470 20 0 ICADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001615778983 1073118446 /nfs/dbraw/zinc/11/84/46/1073118446.db2.gz YQFSDYMQUVUGCR-QZWWFDLISA-N 0 3 444.602 0.470 20 0 ICADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001615778984 1073118378 /nfs/dbraw/zinc/11/83/78/1073118378.db2.gz YQFSDYMQUVUGCR-YVSFHVDLSA-N 0 3 444.602 0.470 20 0 ICADHN CCN1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCNC(=O)C2)C1 ZINC001615790007 1073119790 /nfs/dbraw/zinc/11/97/90/1073119790.db2.gz ORPRVVHLUIPSTM-HNNXBMFYSA-N 0 3 432.550 0.627 20 0 ICADHN CCN1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCNC(=O)C2)C1 ZINC001615790009 1073119908 /nfs/dbraw/zinc/11/99/08/1073119908.db2.gz ORPRVVHLUIPSTM-OAHLLOKOSA-N 0 3 432.550 0.627 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615797166 1073120932 /nfs/dbraw/zinc/12/09/32/1073120932.db2.gz CBLLWQXQRDXTSI-KRWDZBQOSA-N 0 3 435.573 0.632 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615797168 1073121647 /nfs/dbraw/zinc/12/16/47/1073121647.db2.gz CBLLWQXQRDXTSI-QGZVFWFLSA-N 0 3 435.573 0.632 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615799084 1073121672 /nfs/dbraw/zinc/12/16/72/1073121672.db2.gz NEDJQZCASMZBGB-INIZCTEOSA-N 0 3 439.586 0.080 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001615799099 1073121659 /nfs/dbraw/zinc/12/16/59/1073121659.db2.gz NEDJQZCASMZBGB-MRXNPFEDSA-N 0 3 439.586 0.080 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001615799152 1073121694 /nfs/dbraw/zinc/12/16/94/1073121694.db2.gz GVPHDERXBROHSQ-KRWDZBQOSA-N 0 3 434.589 0.111 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001615799153 1073121541 /nfs/dbraw/zinc/12/15/41/1073121541.db2.gz GVPHDERXBROHSQ-QGZVFWFLSA-N 0 3 434.589 0.111 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615800653 1073121600 /nfs/dbraw/zinc/12/16/00/1073121600.db2.gz XYQNAKWDJJYNPQ-BRWVUGGUSA-N 0 3 434.541 0.359 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001615800656 1073121520 /nfs/dbraw/zinc/12/15/20/1073121520.db2.gz XYQNAKWDJJYNPQ-IXDOHACOSA-N 0 3 434.541 0.359 20 0 ICADHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615800659 1073121612 /nfs/dbraw/zinc/12/16/12/1073121612.db2.gz XYRHZVYTOZFGOD-GOSISDBHSA-N 0 3 447.584 0.730 20 0 ICADHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001615800662 1073122271 /nfs/dbraw/zinc/12/22/71/1073122271.db2.gz XYRHZVYTOZFGOD-SFHVURJKSA-N 0 3 447.584 0.730 20 0 ICADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 ZINC001615813601 1073122683 /nfs/dbraw/zinc/12/26/83/1073122683.db2.gz HWCNXFZEOFSBET-GOSISDBHSA-N 0 3 447.584 0.684 20 0 ICADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 ZINC001615813603 1073122784 /nfs/dbraw/zinc/12/27/84/1073122784.db2.gz HWCNXFZEOFSBET-SFHVURJKSA-N 0 3 447.584 0.684 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836224 1073127817 /nfs/dbraw/zinc/12/78/17/1073127817.db2.gz CSEQOBDWOAGZMC-CVEARBPZSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836225 1073127651 /nfs/dbraw/zinc/12/76/51/1073127651.db2.gz CSEQOBDWOAGZMC-HOTGVXAUSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836226 1073127747 /nfs/dbraw/zinc/12/77/47/1073127747.db2.gz CSEQOBDWOAGZMC-HZPDHXFCSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSCC2)CC1 ZINC001615836227 1073127877 /nfs/dbraw/zinc/12/78/77/1073127877.db2.gz CSEQOBDWOAGZMC-JKSUJKDBSA-N 0 3 445.659 0.468 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001615836621 1073128353 /nfs/dbraw/zinc/12/83/53/1073128353.db2.gz IGPMXFUCSKZBOE-KRWDZBQOSA-N 0 3 429.573 0.738 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001615836622 1073128442 /nfs/dbraw/zinc/12/84/42/1073128442.db2.gz IGPMXFUCSKZBOE-QGZVFWFLSA-N 0 3 429.573 0.738 20 0 ICADHN CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001615836648 1073128330 /nfs/dbraw/zinc/12/83/30/1073128330.db2.gz IYAKOVVBNVMPME-IBGZPJMESA-N 0 3 434.633 0.603 20 0 ICADHN CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001615836649 1073128514 /nfs/dbraw/zinc/12/85/14/1073128514.db2.gz IYAKOVVBNVMPME-LJQANCHMSA-N 0 3 434.633 0.603 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837238 1073128534 /nfs/dbraw/zinc/12/85/34/1073128534.db2.gz NAJJFMYBDRBMGW-AEFFLSMTSA-N 0 3 427.619 0.378 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837246 1073128484 /nfs/dbraw/zinc/12/84/84/1073128484.db2.gz NAJJFMYBDRBMGW-FUHWJXTLSA-N 0 3 427.619 0.378 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837248 1073128553 /nfs/dbraw/zinc/12/85/53/1073128553.db2.gz NAJJFMYBDRBMGW-SJLPKXTDSA-N 0 3 427.619 0.378 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001615837250 1073128411 /nfs/dbraw/zinc/12/84/11/1073128411.db2.gz NAJJFMYBDRBMGW-WMZOPIPTSA-N 0 3 427.619 0.378 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615841622 1073128989 /nfs/dbraw/zinc/12/89/89/1073128989.db2.gz DBOZCCUDKHPXRT-MSOLQXFVSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001615841623 1073129157 /nfs/dbraw/zinc/12/91/57/1073129157.db2.gz DBOZCCUDKHPXRT-QZTJIDSGSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615841624 1073129147 /nfs/dbraw/zinc/12/91/47/1073129147.db2.gz DBOZCCUDKHPXRT-ROUUACIJSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001615841625 1073129030 /nfs/dbraw/zinc/12/90/30/1073129030.db2.gz DBOZCCUDKHPXRT-ZWKOTPCHSA-N 0 3 428.585 0.977 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615841712 1073129183 /nfs/dbraw/zinc/12/91/83/1073129183.db2.gz FBWKHAJSJHRXDT-DLBZAZTESA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001615841713 1073129110 /nfs/dbraw/zinc/12/91/10/1073129110.db2.gz FBWKHAJSJHRXDT-IAGOWNOFSA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615841714 1073129075 /nfs/dbraw/zinc/12/90/75/1073129075.db2.gz FBWKHAJSJHRXDT-IRXDYDNUSA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001615841715 1073129202 /nfs/dbraw/zinc/12/92/02/1073129202.db2.gz FBWKHAJSJHRXDT-SJORKVTESA-N 0 3 427.557 0.428 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615841834 1073129009 /nfs/dbraw/zinc/12/90/09/1073129009.db2.gz GXJBUVGMRHTTNM-HKUYNNGSSA-N 0 3 442.568 0.317 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615841835 1073129136 /nfs/dbraw/zinc/12/91/36/1073129136.db2.gz GXJBUVGMRHTTNM-IEBWSBKVSA-N 0 3 442.568 0.317 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615841836 1073129171 /nfs/dbraw/zinc/12/91/71/1073129171.db2.gz GXJBUVGMRHTTNM-MJGOQNOKSA-N 0 3 442.568 0.317 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615841837 1073129097 /nfs/dbraw/zinc/12/90/97/1073129097.db2.gz GXJBUVGMRHTTNM-PKOBYXMFSA-N 0 3 442.568 0.317 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615842094 1073130060 /nfs/dbraw/zinc/13/00/60/1073130060.db2.gz JWPOKVQDTCEMFB-KRWDZBQOSA-N 0 3 439.630 0.653 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001615842096 1073129749 /nfs/dbraw/zinc/12/97/49/1073129749.db2.gz JWPOKVQDTCEMFB-QGZVFWFLSA-N 0 3 439.630 0.653 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615842463 1073129835 /nfs/dbraw/zinc/12/98/35/1073129835.db2.gz FDYVGJPEFDOIKX-GOSISDBHSA-N 0 3 428.585 0.862 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(=O)NC)CC1 ZINC001615842465 1073130021 /nfs/dbraw/zinc/13/00/21/1073130021.db2.gz FDYVGJPEFDOIKX-SFHVURJKSA-N 0 3 428.585 0.862 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615842659 1073130003 /nfs/dbraw/zinc/13/00/03/1073130003.db2.gz OIMVMSPZPFJNFK-BHIYHBOVSA-N 0 3 434.585 0.932 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615842660 1073129884 /nfs/dbraw/zinc/12/98/84/1073129884.db2.gz OIMVMSPZPFJNFK-QXAKKESOSA-N 0 3 434.585 0.932 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615842843 1073129902 /nfs/dbraw/zinc/12/99/02/1073129902.db2.gz HVIMPIZIBFYMNC-GOSISDBHSA-N 0 3 426.569 0.568 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001615842844 1073129804 /nfs/dbraw/zinc/12/98/04/1073129804.db2.gz HVIMPIZIBFYMNC-SFHVURJKSA-N 0 3 426.569 0.568 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615843133 1073129915 /nfs/dbraw/zinc/12/99/15/1073129915.db2.gz KPHXCXHKILVLPJ-MOPGFXCFSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001615843137 1073129869 /nfs/dbraw/zinc/12/98/69/1073129869.db2.gz KPHXCXHKILVLPJ-OALUTQOASA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615843139 1073129928 /nfs/dbraw/zinc/12/99/28/1073129928.db2.gz KPHXCXHKILVLPJ-RBUKOAKNSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001615843141 1073129982 /nfs/dbraw/zinc/12/99/82/1073129982.db2.gz KPHXCXHKILVLPJ-RTBURBONSA-N 0 3 440.596 0.957 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615843291 1073130577 /nfs/dbraw/zinc/13/05/77/1073130577.db2.gz LOHXGZOOTQVYSM-GUDVDZBRSA-N 0 3 436.601 0.863 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001615843292 1073130518 /nfs/dbraw/zinc/13/05/18/1073130518.db2.gz LOHXGZOOTQVYSM-IPMKNSEASA-N 0 3 436.601 0.863 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615843401 1073130707 /nfs/dbraw/zinc/13/07/07/1073130707.db2.gz UZNUKEJQGYNJOU-GOSISDBHSA-N 0 3 444.584 0.594 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615843402 1073130764 /nfs/dbraw/zinc/13/07/64/1073130764.db2.gz UZNUKEJQGYNJOU-SFHVURJKSA-N 0 3 444.584 0.594 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001615843443 1073130664 /nfs/dbraw/zinc/13/06/64/1073130664.db2.gz VVNFNRYWKCUMDP-KRWDZBQOSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001615843444 1073130692 /nfs/dbraw/zinc/13/06/92/1073130692.db2.gz VVNFNRYWKCUMDP-QGZVFWFLSA-N 0 3 441.584 0.724 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615843457 1073130720 /nfs/dbraw/zinc/13/07/20/1073130720.db2.gz WGIMFTAZFFKQTP-GOSISDBHSA-N 0 3 441.584 0.828 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615843458 1073130624 /nfs/dbraw/zinc/13/06/24/1073130624.db2.gz WGIMFTAZFFKQTP-SFHVURJKSA-N 0 3 441.584 0.828 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001615843465 1073130734 /nfs/dbraw/zinc/13/07/34/1073130734.db2.gz WJANNSPDWWTUMI-MSOLQXFVSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001615843466 1073130780 /nfs/dbraw/zinc/13/07/80/1073130780.db2.gz WJANNSPDWWTUMI-QZTJIDSGSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001615843467 1073130551 /nfs/dbraw/zinc/13/05/51/1073130551.db2.gz WJANNSPDWWTUMI-ROUUACIJSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001615843468 1073130639 /nfs/dbraw/zinc/13/06/39/1073130639.db2.gz WJANNSPDWWTUMI-ZWKOTPCHSA-N 0 3 443.600 0.762 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615843510 1073130603 /nfs/dbraw/zinc/13/06/03/1073130603.db2.gz WZWSSXITGHFAER-HKUYNNGSSA-N 0 3 444.584 0.641 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615843511 1073130748 /nfs/dbraw/zinc/13/07/48/1073130748.db2.gz WZWSSXITGHFAER-IEBWSBKVSA-N 0 3 444.584 0.641 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001615843512 1073131673 /nfs/dbraw/zinc/13/16/73/1073131673.db2.gz WZWSSXITGHFAER-MJGOQNOKSA-N 0 3 444.584 0.641 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001615843513 1073131389 /nfs/dbraw/zinc/13/13/89/1073131389.db2.gz WZWSSXITGHFAER-PKOBYXMFSA-N 0 3 444.584 0.641 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001615843810 1073131785 /nfs/dbraw/zinc/13/17/85/1073131785.db2.gz YHPUGUSAOMWLDC-GOSISDBHSA-N 0 3 443.600 0.970 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001615843811 1073131530 /nfs/dbraw/zinc/13/15/30/1073131530.db2.gz YHPUGUSAOMWLDC-SFHVURJKSA-N 0 3 443.600 0.970 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615844637 1073131757 /nfs/dbraw/zinc/13/17/57/1073131757.db2.gz GXSLCVFMGCXHFA-DLBZAZTESA-N 0 3 434.589 0.127 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615844639 1073131736 /nfs/dbraw/zinc/13/17/36/1073131736.db2.gz GXSLCVFMGCXHFA-IAGOWNOFSA-N 0 3 434.589 0.127 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615844642 1073131463 /nfs/dbraw/zinc/13/14/63/1073131463.db2.gz GXSLCVFMGCXHFA-IRXDYDNUSA-N 0 3 434.589 0.127 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615844644 1073131702 /nfs/dbraw/zinc/13/17/02/1073131702.db2.gz GXSLCVFMGCXHFA-SJORKVTESA-N 0 3 434.589 0.127 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615845244 1073131510 /nfs/dbraw/zinc/13/15/10/1073131510.db2.gz XJTWPNZOIQASPT-FDDCHVKYSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615845245 1073131768 /nfs/dbraw/zinc/13/17/68/1073131768.db2.gz XJTWPNZOIQASPT-JPYJTQIMSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615845246 1073131622 /nfs/dbraw/zinc/13/16/22/1073131622.db2.gz XJTWPNZOIQASPT-MBSDFSHPSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001615845247 1073131444 /nfs/dbraw/zinc/13/14/44/1073131444.db2.gz XJTWPNZOIQASPT-WZONZLPQSA-N 0 3 440.596 0.992 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615845473 1073131429 /nfs/dbraw/zinc/13/14/29/1073131429.db2.gz YXCZZGFAIMTEIB-CEXWTWQISA-N 0 3 449.600 0.497 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001615845475 1073131569 /nfs/dbraw/zinc/13/15/69/1073131569.db2.gz YXCZZGFAIMTEIB-GUDVDZBRSA-N 0 3 449.600 0.497 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615845477 1073132294 /nfs/dbraw/zinc/13/22/94/1073132294.db2.gz YXCZZGFAIMTEIB-QRVBRYPASA-N 0 3 449.600 0.497 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615845479 1073132115 /nfs/dbraw/zinc/13/21/15/1073132115.db2.gz YXCZZGFAIMTEIB-QYZOEREBSA-N 0 3 449.600 0.497 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845485 1073132429 /nfs/dbraw/zinc/13/24/29/1073132429.db2.gz ZEQNLHXZTBQWJU-MOPGFXCFSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845492 1073132483 /nfs/dbraw/zinc/13/24/83/1073132483.db2.gz ZEQNLHXZTBQWJU-OALUTQOASA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845493 1073132273 /nfs/dbraw/zinc/13/22/73/1073132273.db2.gz ZEQNLHXZTBQWJU-RBUKOAKNSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001615845494 1073132229 /nfs/dbraw/zinc/13/22/29/1073132229.db2.gz ZEQNLHXZTBQWJU-RTBURBONSA-N 0 3 433.601 0.867 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001615845791 1073132467 /nfs/dbraw/zinc/13/24/67/1073132467.db2.gz QUYWFFPYSICGRD-KRWDZBQOSA-N 0 3 445.543 0.958 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001615845792 1073132394 /nfs/dbraw/zinc/13/23/94/1073132394.db2.gz QUYWFFPYSICGRD-QGZVFWFLSA-N 0 3 445.543 0.958 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)C2)CC1 ZINC001615846054 1073132198 /nfs/dbraw/zinc/13/21/98/1073132198.db2.gz UMRRZPOIABHBDB-KRWDZBQOSA-N 0 3 445.543 0.958 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)C2)CC1 ZINC001615846055 1073132506 /nfs/dbraw/zinc/13/25/06/1073132506.db2.gz UMRRZPOIABHBDB-QGZVFWFLSA-N 0 3 445.543 0.958 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615846620 1073132409 /nfs/dbraw/zinc/13/24/09/1073132409.db2.gz ZEXNEXTZMFIMQX-HKUYNNGSSA-N 0 3 445.616 0.866 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615846621 1073132133 /nfs/dbraw/zinc/13/21/33/1073132133.db2.gz ZEXNEXTZMFIMQX-IEBWSBKVSA-N 0 3 445.616 0.866 20 0 ICADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001615846622 1073132255 /nfs/dbraw/zinc/13/22/55/1073132255.db2.gz ZEXNEXTZMFIMQX-MJGOQNOKSA-N 0 3 445.616 0.866 20 0 ICADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001615846623 1073132448 /nfs/dbraw/zinc/13/24/48/1073132448.db2.gz ZEXNEXTZMFIMQX-PKOBYXMFSA-N 0 3 445.616 0.866 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001615874554 1073135860 /nfs/dbraw/zinc/13/58/60/1073135860.db2.gz FMMAHRUHFNXENB-KRWDZBQOSA-N 0 3 441.646 0.731 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001615874555 1073136608 /nfs/dbraw/zinc/13/66/08/1073136608.db2.gz FMMAHRUHFNXENB-QGZVFWFLSA-N 0 3 441.646 0.731 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001615875498 1073136706 /nfs/dbraw/zinc/13/67/06/1073136706.db2.gz OIARUOGNWPXTEC-GOSISDBHSA-N 0 3 441.646 0.947 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3CCCNS(=O)(=O)CC)C2)CC1 ZINC001615875509 1073136586 /nfs/dbraw/zinc/13/65/86/1073136586.db2.gz 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CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCC[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001615877162 1073138184 /nfs/dbraw/zinc/13/81/84/1073138184.db2.gz UFCQUZYVJVOKES-ROUUACIJSA-N 0 3 446.600 0.681 20 0 ICADHN CCN1CCN([C@H]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615877907 1073138063 /nfs/dbraw/zinc/13/80/63/1073138063.db2.gz XQBLPLITYVLRND-KRWDZBQOSA-N 0 3 425.603 0.311 20 0 ICADHN CCN1CCN([C@@H]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001615877908 1073139125 /nfs/dbraw/zinc/13/91/25/1073139125.db2.gz XQBLPLITYVLRND-QGZVFWFLSA-N 0 3 425.603 0.311 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001615878809 1073139071 /nfs/dbraw/zinc/13/90/71/1073139071.db2.gz FNWCMUFBSPSLIC-KRWDZBQOSA-N 0 3 434.589 0.016 20 0 ICADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001615878810 1073139040 /nfs/dbraw/zinc/13/90/40/1073139040.db2.gz FNWCMUFBSPSLIC-QGZVFWFLSA-N 0 3 434.589 0.016 20 0 ICADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001615878827 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/nfs/dbraw/zinc/22/71/60/1073227160.db2.gz ZGTFZQPJPDZTFP-SLFFLAALSA-N 0 3 436.601 0.959 20 0 ICADHN CCOCc1nnc(N2CCC(OCC(N)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001616816258 1073228548 /nfs/dbraw/zinc/22/85/48/1073228548.db2.gz URZKGCOFPPXJGM-UHFFFAOYSA-N 0 3 437.589 0.311 20 0 ICADHN CCOCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CCCN1CCN(CC)CC1 ZINC001616819708 1073228352 /nfs/dbraw/zinc/22/83/52/1073228352.db2.gz YDRMOBWRVWAOSI-UHFFFAOYSA-N 0 3 442.630 0.856 20 0 ICADHN NS(=O)(=O)C1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001616880552 1073232001 /nfs/dbraw/zinc/23/20/01/1073232001.db2.gz LJSQGZYRBDEHKY-UHFFFAOYSA-N 0 3 444.579 0.553 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNC(=O)C(C)(C)C ZINC001616896579 1073233677 /nfs/dbraw/zinc/23/36/77/1073233677.db2.gz DEFSLQVYCVETQU-KRWDZBQOSA-N 0 3 449.600 0.720 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCc1nc(C)no1 ZINC001616896615 1073233845 /nfs/dbraw/zinc/23/38/45/1073233845.db2.gz DDZVTQVEVFWQMB-UHFFFAOYSA-N 0 3 446.556 0.883 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNC(=O)C(C)(C)C ZINC001616896673 1073233794 /nfs/dbraw/zinc/23/37/94/1073233794.db2.gz DEFSLQVYCVETQU-QGZVFWFLSA-N 0 3 449.600 0.720 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[S@](=O)CC ZINC001616896703 1073233756 /nfs/dbraw/zinc/23/37/56/1073233756.db2.gz FIONZKXFTAAFBJ-GDLZYMKVSA-N 0 3 426.587 0.328 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[S@@](=O)CC ZINC001616896704 1073233742 /nfs/dbraw/zinc/23/37/42/1073233742.db2.gz FIONZKXFTAAFBJ-LJAQVGFWSA-N 0 3 426.587 0.328 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001616896710 1073233822 /nfs/dbraw/zinc/23/38/22/1073233822.db2.gz FPITWYZJUDBDMV-KRWDZBQOSA-N 0 3 447.584 0.474 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001616896719 1073233698 /nfs/dbraw/zinc/23/36/98/1073233698.db2.gz FPITWYZJUDBDMV-QGZVFWFLSA-N 0 3 447.584 0.474 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001616896776 1073233861 /nfs/dbraw/zinc/23/38/61/1073233861.db2.gz GECKAMCWEPMWQS-UHFFFAOYSA-N 0 3 435.573 0.331 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1nccnc1C ZINC001616897061 1073234155 /nfs/dbraw/zinc/23/41/55/1073234155.db2.gz IWFQEMHXSDEPJE-IBGZPJMESA-N 0 3 442.568 0.899 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1nccnc1C ZINC001616897064 1073234452 /nfs/dbraw/zinc/23/44/52/1073234452.db2.gz IWFQEMHXSDEPJE-LJQANCHMSA-N 0 3 442.568 0.899 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(OC)CCOC1 ZINC001616897293 1073234367 /nfs/dbraw/zinc/23/43/67/1073234367.db2.gz LZQCJPBFPXYXMP-NRFANRHFSA-N 0 3 436.557 0.365 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(OC)CCOC1 ZINC001616897298 1073234185 /nfs/dbraw/zinc/23/41/85/1073234185.db2.gz LZQCJPBFPXYXMP-OAQYLSRUSA-N 0 3 436.557 0.365 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001616897522 1073234269 /nfs/dbraw/zinc/23/42/69/1073234269.db2.gz NXEOEJFUXGOJCE-KSZLIROESA-N 0 3 436.557 0.097 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001616897523 1073234478 /nfs/dbraw/zinc/23/44/78/1073234478.db2.gz NXEOEJFUXGOJCE-RCCFBDPRSA-N 0 3 436.557 0.097 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1nnc(C)s1 ZINC001616897827 1073234819 /nfs/dbraw/zinc/23/48/19/1073234819.db2.gz PYESRRQGUZZWJD-UHFFFAOYSA-N 0 3 448.597 0.962 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCNC(=O)C(C)C ZINC001616897865 1073234847 /nfs/dbraw/zinc/23/48/47/1073234847.db2.gz SOWHDWGGWOMLTL-GOSISDBHSA-N 0 3 449.600 0.720 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCNC(=O)C(C)C ZINC001616897866 1073234787 /nfs/dbraw/zinc/23/47/87/1073234787.db2.gz SOWHDWGGWOMLTL-SFHVURJKSA-N 0 3 449.600 0.720 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)NC(C)(C)C ZINC001616898176 1073235366 /nfs/dbraw/zinc/23/53/66/1073235366.db2.gz XOOWHVQUWUSAJC-KRWDZBQOSA-N 0 3 449.600 0.862 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)NC(C)(C)C ZINC001616898182 1073235341 /nfs/dbraw/zinc/23/53/41/1073235341.db2.gz XOOWHVQUWUSAJC-QGZVFWFLSA-N 0 3 449.600 0.862 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@]1(O)CCSC1 ZINC001616898576 1073235235 /nfs/dbraw/zinc/23/52/35/1073235235.db2.gz ZUPMAVWEGPQYEM-FQEVSTJZSA-N 0 3 440.614 0.673 20 0 ICADHN CCOCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@]1(O)CCSC1 ZINC001616898578 1073235262 /nfs/dbraw/zinc/23/52/62/1073235262.db2.gz ZUPMAVWEGPQYEM-HXUWFJFHSA-N 0 3 440.614 0.673 20 0 ICADHN CCOCc1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616918257 1073237683 /nfs/dbraw/zinc/23/76/83/1073237683.db2.gz WDVFULFPAWLDKZ-IBGZPJMESA-N 0 3 445.616 0.901 20 0 ICADHN CCOCc1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616918262 1073237657 /nfs/dbraw/zinc/23/76/57/1073237657.db2.gz WDVFULFPAWLDKZ-LJQANCHMSA-N 0 3 445.616 0.901 20 0 ICADHN CCOCc1nnc(N2CCN(C3CCOCC3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001616926364 1073238783 /nfs/dbraw/zinc/23/87/83/1073238783.db2.gz JHPGMBMMTPAWIY-UHFFFAOYSA-N 0 3 449.600 0.280 20 0 ICADHN CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001616941144 1073240769 /nfs/dbraw/zinc/24/07/69/1073240769.db2.gz QQTBQWMBMGZYBS-KRWDZBQOSA-N 0 3 436.557 0.255 20 0 ICADHN CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001616941145 1073240955 /nfs/dbraw/zinc/24/09/55/1073240955.db2.gz QQTBQWMBMGZYBS-QGZVFWFLSA-N 0 3 436.557 0.255 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616946006 1073242545 /nfs/dbraw/zinc/24/25/45/1073242545.db2.gz BNKPIJWXTIXFNH-MSOLQXFVSA-N 0 3 434.589 0.397 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616946009 1073242430 /nfs/dbraw/zinc/24/24/30/1073242430.db2.gz BNKPIJWXTIXFNH-QZTJIDSGSA-N 0 3 434.589 0.397 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616946013 1073242456 /nfs/dbraw/zinc/24/24/56/1073242456.db2.gz BNKPIJWXTIXFNH-ROUUACIJSA-N 0 3 434.589 0.397 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616946018 1073242565 /nfs/dbraw/zinc/24/25/65/1073242565.db2.gz BNKPIJWXTIXFNH-ZWKOTPCHSA-N 0 3 434.589 0.397 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCCN1CCN(CC)CC1 ZINC001616948874 1073243002 /nfs/dbraw/zinc/24/30/02/1073243002.db2.gz PIUIWPHPMZFMQJ-NRFANRHFSA-N 0 3 435.573 0.873 20 0 ICADHN CCOCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCCN1CCN(CC)CC1 ZINC001616948878 1073242909 /nfs/dbraw/zinc/24/29/09/1073242909.db2.gz PIUIWPHPMZFMQJ-OAQYLSRUSA-N 0 3 435.573 0.873 20 0 ICADHN CCOCc1nnc(N2CCNC(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001616949109 1073243407 /nfs/dbraw/zinc/24/34/07/1073243407.db2.gz XYMFFMXTVUYNCN-UHFFFAOYSA-N 0 3 428.537 0.756 20 0 ICADHN CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616967484 1073244704 /nfs/dbraw/zinc/24/47/04/1073244704.db2.gz FTOGDWRZFJGJTA-HKUYNNGSSA-N 0 3 437.589 0.182 20 0 ICADHN CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616967485 1073244799 /nfs/dbraw/zinc/24/47/99/1073244799.db2.gz FTOGDWRZFJGJTA-IEBWSBKVSA-N 0 3 437.589 0.182 20 0 ICADHN CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616967486 1073244732 /nfs/dbraw/zinc/24/47/32/1073244732.db2.gz FTOGDWRZFJGJTA-MJGOQNOKSA-N 0 3 437.589 0.182 20 0 ICADHN CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616967487 1073244645 /nfs/dbraw/zinc/24/46/45/1073244645.db2.gz FTOGDWRZFJGJTA-PKOBYXMFSA-N 0 3 437.589 0.182 20 0 ICADHN CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001616970079 1073245263 /nfs/dbraw/zinc/24/52/63/1073245263.db2.gz XBPPLGPJKZWXLY-GOSISDBHSA-N 0 3 437.589 0.182 20 0 ICADHN CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001616970080 1073245543 /nfs/dbraw/zinc/24/55/43/1073245543.db2.gz XBPPLGPJKZWXLY-SFHVURJKSA-N 0 3 437.589 0.182 20 0 ICADHN CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001616981492 1073246051 /nfs/dbraw/zinc/24/60/51/1073246051.db2.gz VNERSNRANVBOJC-OTWHNJEPSA-N 0 3 433.601 0.803 20 0 ICADHN CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001616981497 1073246006 /nfs/dbraw/zinc/24/60/06/1073246006.db2.gz VNERSNRANVBOJC-QRVBRYPASA-N 0 3 433.601 0.803 20 0 ICADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC001616983172 1073245972 /nfs/dbraw/zinc/24/59/72/1073245972.db2.gz HYZTWZSYSQDGIU-AEFFLSMTSA-N 0 3 427.590 0.794 20 0 ICADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC001616983176 1073246037 /nfs/dbraw/zinc/24/60/37/1073246037.db2.gz HYZTWZSYSQDGIU-WMZOPIPTSA-N 0 3 427.590 0.794 20 0 ICADHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001617096126 1073250775 /nfs/dbraw/zinc/25/07/75/1073250775.db2.gz NBMCNIATGIZFJW-KRWDZBQOSA-N 0 3 440.566 0.886 20 0 ICADHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001617096127 1073250862 /nfs/dbraw/zinc/25/08/62/1073250862.db2.gz NBMCNIATGIZFJW-QGZVFWFLSA-N 0 3 440.566 0.886 20 0 ICADHN CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001617197900 1073257471 /nfs/dbraw/zinc/25/74/71/1073257471.db2.gz VSTGXPHWSZCWKU-UHFFFAOYSA-N 0 3 444.584 0.921 20 0 ICADHN CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)CC1 ZINC001617211252 1073259641 /nfs/dbraw/zinc/25/96/41/1073259641.db2.gz BVEOBBWVSFSDFT-UHFFFAOYSA-N 0 3 431.585 0.935 20 0 ICADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC001617213316 1073260168 /nfs/dbraw/zinc/26/01/68/1073260168.db2.gz JZGHKGGOXMHNDQ-KDURUIRLSA-N 0 3 446.596 0.935 20 0 ICADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC001617215441 1073260090 /nfs/dbraw/zinc/26/00/90/1073260090.db2.gz INUYVJWCXBJTNZ-UHFFFAOYSA-N 0 3 439.310 0.524 20 0 ICADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001617215812 1073260203 /nfs/dbraw/zinc/26/02/03/1073260203.db2.gz KZIWEBVVTLJAHL-UHFFFAOYSA-N 0 3 440.566 0.108 20 0 ICADHN CO[C@@H]1C[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001617217628 1073260143 /nfs/dbraw/zinc/26/01/43/1073260143.db2.gz UGQFSHHHYKRYHX-RTBURBONSA-N 0 3 434.537 0.891 20 0 ICADHN CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001617221997 1073260715 /nfs/dbraw/zinc/26/07/15/1073260715.db2.gz CQUWVNCQUSHANM-UHFFFAOYSA-N 0 3 446.600 0.948 20 0 ICADHN CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@@H]1CC ZINC001617222987 1073260581 /nfs/dbraw/zinc/26/05/81/1073260581.db2.gz OETNLHSJZNOVFT-DLBZAZTESA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@@H]1CC ZINC001617222987 1073260578 /nfs/dbraw/zinc/26/05/78/1073260578.db2.gz OETNLHSJZNOVFT-DLBZAZTESA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@H]1CC ZINC001617223002 1073260828 /nfs/dbraw/zinc/26/08/28/1073260828.db2.gz OETNLHSJZNOVFT-IAGOWNOFSA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@H]1CC ZINC001617223002 1073260821 /nfs/dbraw/zinc/26/08/21/1073260821.db2.gz OETNLHSJZNOVFT-IAGOWNOFSA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@@H]1CC ZINC001617223004 1073260644 /nfs/dbraw/zinc/26/06/44/1073260644.db2.gz OETNLHSJZNOVFT-IRXDYDNUSA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@@H]1CC ZINC001617223004 1073260639 /nfs/dbraw/zinc/26/06/39/1073260639.db2.gz OETNLHSJZNOVFT-IRXDYDNUSA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)C[C@H]1CC ZINC001617223006 1073261050 /nfs/dbraw/zinc/26/10/50/1073261050.db2.gz OETNLHSJZNOVFT-SJORKVTESA-N 0 3 445.572 0.836 20 0 ICADHN CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)C[C@H]1CC ZINC001617223006 1073261035 /nfs/dbraw/zinc/26/10/35/1073261035.db2.gz OETNLHSJZNOVFT-SJORKVTESA-N 0 3 445.572 0.836 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001617298706 1073271132 /nfs/dbraw/zinc/27/11/32/1073271132.db2.gz GORQJENPJXMUSY-KRWDZBQOSA-N 0 3 442.630 0.679 20 0 ICADHN CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001617298713 1073271222 /nfs/dbraw/zinc/27/12/22/1073271222.db2.gz GORQJENPJXMUSY-QGZVFWFLSA-N 0 3 442.630 0.679 20 0 ICADHN CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001617325111 1073278025 /nfs/dbraw/zinc/27/80/25/1073278025.db2.gz GSDHVEJYPVKGDI-KRWDZBQOSA-N 0 3 440.614 0.654 20 0 ICADHN CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001617325212 1073278055 /nfs/dbraw/zinc/27/80/55/1073278055.db2.gz GSDHVEJYPVKGDI-QGZVFWFLSA-N 0 3 440.614 0.654 20 0 ICADHN COC(=O)CC1(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCS(=O)(=O)CC1 ZINC001617352528 1073283340 /nfs/dbraw/zinc/28/33/40/1073283340.db2.gz KHHJSXRTTCHXRH-HNNXBMFYSA-N 0 3 440.518 0.411 20 0 ICADHN COC(=O)CC1(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCS(=O)(=O)CC1 ZINC001617352529 1073283466 /nfs/dbraw/zinc/28/34/66/1073283466.db2.gz KHHJSXRTTCHXRH-OAHLLOKOSA-N 0 3 440.518 0.411 20 0 ICADHN COC(=O)CC1(NCCOCCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)CC1 ZINC001617352729 1073283511 /nfs/dbraw/zinc/28/35/11/1073283511.db2.gz MRIKAAVRVLOIAF-UHFFFAOYSA-N 0 3 438.502 0.399 20 0 ICADHN CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001617383431 1073292810 /nfs/dbraw/zinc/29/28/10/1073292810.db2.gz JUOOIKOSKGVBDD-UHFFFAOYSA-N 0 3 441.602 0.085 20 0 ICADHN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 ZINC001617406643 1073302425 /nfs/dbraw/zinc/30/24/25/1073302425.db2.gz UHLYZNGFBZJBGV-FYCBBRDGSA-N 0 3 446.643 0.722 20 0 ICADHN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 ZINC001617406644 1073302469 /nfs/dbraw/zinc/30/24/69/1073302469.db2.gz UHLYZNGFBZJBGV-JMLKKNOCSA-N 0 3 446.643 0.722 20 0 ICADHN CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 ZINC001617406645 1073302282 /nfs/dbraw/zinc/30/22/82/1073302282.db2.gz UHLYZNGFBZJBGV-LMGGTIKBSA-N 0 3 446.643 0.722 20 0 ICADHN CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 ZINC001617406646 1073302235 /nfs/dbraw/zinc/30/22/35/1073302235.db2.gz UHLYZNGFBZJBGV-XWBFJWKOSA-N 0 3 446.643 0.722 20 0 ICADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)C1(O)CCOCC1 ZINC001617428214 1073304540 /nfs/dbraw/zinc/30/45/40/1073304540.db2.gz CNYCXKWFKLAGCP-DLBZAZTESA-N 0 3 429.558 0.774 20 0 ICADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C[C@@H](O)C1(O)CCOCC1 ZINC001617428219 1073304476 /nfs/dbraw/zinc/30/44/76/1073304476.db2.gz CNYCXKWFKLAGCP-IAGOWNOFSA-N 0 3 429.558 0.774 20 0 ICADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C[C@H](O)C1(O)CCOCC1 ZINC001617428220 1073304634 /nfs/dbraw/zinc/30/46/34/1073304634.db2.gz CNYCXKWFKLAGCP-IRXDYDNUSA-N 0 3 429.558 0.774 20 0 ICADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C[C@H](O)C1(O)CCOCC1 ZINC001617428221 1073304486 /nfs/dbraw/zinc/30/44/86/1073304486.db2.gz CNYCXKWFKLAGCP-SJORKVTESA-N 0 3 429.558 0.774 20 0 ICADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@H]1CCN1C1CCOCC1)c2=O ZINC001617549417 1073310541 /nfs/dbraw/zinc/31/05/41/1073310541.db2.gz JKJGBYPFNBDJAV-GFCCVEGCSA-N 0 3 439.314 0.262 20 0 ICADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@H]1CCN1C1CCOCC1)c2=O ZINC001617549418 1073310566 /nfs/dbraw/zinc/31/05/66/1073310566.db2.gz JKJGBYPFNBDJAV-LBPRGKRZSA-N 0 3 439.314 0.262 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CO)CC1 ZINC001617573295 1073311696 /nfs/dbraw/zinc/31/16/96/1073311696.db2.gz JCACKIPGRFZJMW-MSOLQXFVSA-N 0 3 447.584 0.381 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CO)CC1 ZINC001617573313 1073311573 /nfs/dbraw/zinc/31/15/73/1073311573.db2.gz JCACKIPGRFZJMW-QZTJIDSGSA-N 0 3 447.584 0.381 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CO)CC1 ZINC001617573315 1073311756 /nfs/dbraw/zinc/31/17/56/1073311756.db2.gz JCACKIPGRFZJMW-ROUUACIJSA-N 0 3 447.584 0.381 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CO)CC1 ZINC001617573321 1073311555 /nfs/dbraw/zinc/31/15/55/1073311555.db2.gz JCACKIPGRFZJMW-ZWKOTPCHSA-N 0 3 447.584 0.381 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001617573453 1073311603 /nfs/dbraw/zinc/31/16/03/1073311603.db2.gz JSEBICKNZUMLER-GOSISDBHSA-N 0 3 447.584 0.393 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001617573455 1073311842 /nfs/dbraw/zinc/31/18/42/1073311842.db2.gz JSEBICKNZUMLER-SFHVURJKSA-N 0 3 447.584 0.393 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCCCO2)nnc1N1CCNC(=O)CC1 ZINC001617573633 1073311626 /nfs/dbraw/zinc/31/16/26/1073311626.db2.gz KHWRRRMIZADKMG-MSOLQXFVSA-N 0 3 447.584 0.789 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCCO2)nnc1N1CCNC(=O)CC1 ZINC001617573634 1073311655 /nfs/dbraw/zinc/31/16/55/1073311655.db2.gz KHWRRRMIZADKMG-QZTJIDSGSA-N 0 3 447.584 0.789 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCCO2)nnc1N1CCNC(=O)CC1 ZINC001617573635 1073311866 /nfs/dbraw/zinc/31/18/66/1073311866.db2.gz KHWRRRMIZADKMG-ROUUACIJSA-N 0 3 447.584 0.789 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCCO2)nnc1N1CCNC(=O)CC1 ZINC001617573636 1073311712 /nfs/dbraw/zinc/31/17/12/1073311712.db2.gz KHWRRRMIZADKMG-ZWKOTPCHSA-N 0 3 447.584 0.789 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)C1 ZINC001617574132 1073311516 /nfs/dbraw/zinc/31/15/16/1073311516.db2.gz OUDMVQSTOVDRFN-DLBZAZTESA-N 0 3 433.557 0.051 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)C1 ZINC001617574140 1073311812 /nfs/dbraw/zinc/31/18/12/1073311812.db2.gz OUDMVQSTOVDRFN-IAGOWNOFSA-N 0 3 433.557 0.051 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)C1 ZINC001617574142 1073311531 /nfs/dbraw/zinc/31/15/31/1073311531.db2.gz OUDMVQSTOVDRFN-IRXDYDNUSA-N 0 3 433.557 0.051 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)C1 ZINC001617574144 1073311780 /nfs/dbraw/zinc/31/17/80/1073311780.db2.gz OUDMVQSTOVDRFN-SJORKVTESA-N 0 3 433.557 0.051 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1C(=O)N1CCCC1 ZINC001617575189 1073312194 /nfs/dbraw/zinc/31/21/94/1073312194.db2.gz GNLFHZJUDONTCN-INIZCTEOSA-N 0 3 443.556 0.934 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1C(=O)N1CCCC1 ZINC001617575190 1073312245 /nfs/dbraw/zinc/31/22/45/1073312245.db2.gz GNLFHZJUDONTCN-MRXNPFEDSA-N 0 3 443.556 0.934 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCOC1 ZINC001617575362 1073312502 /nfs/dbraw/zinc/31/25/02/1073312502.db2.gz JJKNBPCNYKGCPW-MSOLQXFVSA-N 0 3 447.584 0.568 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCOC1 ZINC001617575363 1073312210 /nfs/dbraw/zinc/31/22/10/1073312210.db2.gz JJKNBPCNYKGCPW-QZTJIDSGSA-N 0 3 447.584 0.568 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCOC1 ZINC001617575364 1073312376 /nfs/dbraw/zinc/31/23/76/1073312376.db2.gz JJKNBPCNYKGCPW-ROUUACIJSA-N 0 3 447.584 0.568 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCOC1 ZINC001617575365 1073312445 /nfs/dbraw/zinc/31/24/45/1073312445.db2.gz JJKNBPCNYKGCPW-ZWKOTPCHSA-N 0 3 447.584 0.568 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CCC(=O)N1 ZINC001617576563 1073312486 /nfs/dbraw/zinc/31/24/86/1073312486.db2.gz XZHILOJTZRGBOF-CABCVRRESA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCC(=O)N1 ZINC001617576564 1073312473 /nfs/dbraw/zinc/31/24/73/1073312473.db2.gz XZHILOJTZRGBOF-GJZGRUSLSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CCC(=O)N1 ZINC001617576566 1073312148 /nfs/dbraw/zinc/31/21/48/1073312148.db2.gz XZHILOJTZRGBOF-HUUCEWRRSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCC(=O)N1 ZINC001617576568 1073312272 /nfs/dbraw/zinc/31/22/72/1073312272.db2.gz XZHILOJTZRGBOF-LSDHHAIUSA-N 0 3 429.529 0.649 20 0 ICADHN CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001617594188 1073314488 /nfs/dbraw/zinc/31/44/88/1073314488.db2.gz BSFQEIGRYMLZNL-UHFFFAOYSA-N 0 3 433.557 0.293 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001617599949 1073315846 /nfs/dbraw/zinc/31/58/46/1073315846.db2.gz IAQYZFCHCSLPAU-KRWDZBQOSA-N 0 3 433.557 0.256 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001617599955 1073315742 /nfs/dbraw/zinc/31/57/42/1073315742.db2.gz IAQYZFCHCSLPAU-QGZVFWFLSA-N 0 3 433.557 0.256 20 0 ICADHN CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001617600818 1073316311 /nfs/dbraw/zinc/31/63/11/1073316311.db2.gz OEIHUTYMIKWSPY-GOSISDBHSA-N 0 3 442.568 0.505 20 0 ICADHN CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001617600819 1073316219 /nfs/dbraw/zinc/31/62/19/1073316219.db2.gz OEIHUTYMIKWSPY-SFHVURJKSA-N 0 3 442.568 0.505 20 0 ICADHN CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001617600844 1073316352 /nfs/dbraw/zinc/31/63/52/1073316352.db2.gz ORICNRYZKJARAM-GOSISDBHSA-N 0 3 440.552 0.561 20 0 ICADHN CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001617600847 1073316384 /nfs/dbraw/zinc/31/63/84/1073316384.db2.gz ORICNRYZKJARAM-SFHVURJKSA-N 0 3 440.552 0.561 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001617600941 1073316287 /nfs/dbraw/zinc/31/62/87/1073316287.db2.gz MYWDAOFUNZMGKS-GOSISDBHSA-N 0 3 447.584 0.395 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001617600942 1073316759 /nfs/dbraw/zinc/31/67/59/1073316759.db2.gz MYWDAOFUNZMGKS-SFHVURJKSA-N 0 3 447.584 0.395 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001617601039 1073316809 /nfs/dbraw/zinc/31/68/09/1073316809.db2.gz OODXUXSXNLDQEP-KRWDZBQOSA-N 0 3 433.557 0.256 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001617601041 1073316745 /nfs/dbraw/zinc/31/67/45/1073316745.db2.gz OODXUXSXNLDQEP-QGZVFWFLSA-N 0 3 433.557 0.256 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001617601994 1073317022 /nfs/dbraw/zinc/31/70/22/1073317022.db2.gz WQTJDFFXZFQDHS-MSOLQXFVSA-N 0 3 447.584 0.741 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001617601995 1073317217 /nfs/dbraw/zinc/31/72/17/1073317217.db2.gz WQTJDFFXZFQDHS-QZTJIDSGSA-N 0 3 447.584 0.741 20 0 ICADHN CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001617601996 1073317245 /nfs/dbraw/zinc/31/72/45/1073317245.db2.gz WQTJDFFXZFQDHS-ROUUACIJSA-N 0 3 447.584 0.741 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001617601997 1073317111 /nfs/dbraw/zinc/31/71/11/1073317111.db2.gz WQTJDFFXZFQDHS-ZWKOTPCHSA-N 0 3 447.584 0.741 20 0 ICADHN CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001617607646 1073317853 /nfs/dbraw/zinc/31/78/53/1073317853.db2.gz NWLNHPKATRLZEU-QGZVFWFLSA-N 0 3 433.557 0.352 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001617617023 1073319729 /nfs/dbraw/zinc/31/97/29/1073319729.db2.gz VXCQLAPVHPBLHS-UHFFFAOYSA-N 0 3 427.553 0.901 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001617619227 1073319519 /nfs/dbraw/zinc/31/95/19/1073319519.db2.gz IYOBPSJPINCOPZ-GOSISDBHSA-N 0 3 440.552 0.095 20 0 ICADHN CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001617619229 1073319672 /nfs/dbraw/zinc/31/96/72/1073319672.db2.gz IYOBPSJPINCOPZ-SFHVURJKSA-N 0 3 440.552 0.095 20 0 ICADHN CN(C)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001617627267 1073322845 /nfs/dbraw/zinc/32/28/45/1073322845.db2.gz XBSWSTCNECSSID-UHFFFAOYSA-N 0 3 446.644 0.782 20 0 ICADHN CNS(=O)(=O)c1ccc(CN[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 ZINC001617668184 1073325051 /nfs/dbraw/zinc/32/50/51/1073325051.db2.gz OTDSLLQGFVZBGT-IBGZPJMESA-N 0 3 434.566 0.905 20 0 ICADHN CNS(=O)(=O)c1ccc(CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 ZINC001617668185 1073325135 /nfs/dbraw/zinc/32/51/35/1073325135.db2.gz OTDSLLQGFVZBGT-LJQANCHMSA-N 0 3 434.566 0.905 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617682610 1073326326 /nfs/dbraw/zinc/32/63/26/1073326326.db2.gz DUZVQQHJWIJEAK-CABCVRRESA-N 0 3 426.587 0.470 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617682611 1073326212 /nfs/dbraw/zinc/32/62/12/1073326212.db2.gz DUZVQQHJWIJEAK-HUUCEWRRSA-N 0 3 426.587 0.470 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001617682858 1073326247 /nfs/dbraw/zinc/32/62/47/1073326247.db2.gz GSUFKTKFTXUVCW-DLBZAZTESA-N 0 3 440.614 0.289 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001617682859 1073326363 /nfs/dbraw/zinc/32/63/63/1073326363.db2.gz GSUFKTKFTXUVCW-IAGOWNOFSA-N 0 3 440.614 0.289 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001617682860 1073326271 /nfs/dbraw/zinc/32/62/71/1073326271.db2.gz GSUFKTKFTXUVCW-IRXDYDNUSA-N 0 3 440.614 0.289 20 0 ICADHN CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001617682861 1073326377 /nfs/dbraw/zinc/32/63/77/1073326377.db2.gz GSUFKTKFTXUVCW-SJORKVTESA-N 0 3 440.614 0.289 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001617708285 1073329481 /nfs/dbraw/zinc/32/94/81/1073329481.db2.gz CDPAEDXTGHBSFJ-KRWDZBQOSA-N 0 3 449.581 0.390 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001617708286 1073329403 /nfs/dbraw/zinc/32/94/03/1073329403.db2.gz CDPAEDXTGHBSFJ-QGZVFWFLSA-N 0 3 449.581 0.390 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001617708960 1073329782 /nfs/dbraw/zinc/32/97/82/1073329782.db2.gz JMYUBQYZOMWVDY-UHFFFAOYSA-N 0 3 426.587 0.596 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001617709329 1073329620 /nfs/dbraw/zinc/32/96/20/1073329620.db2.gz LYACFWIDUBJITC-UHFFFAOYSA-N 0 3 449.581 0.533 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001617710320 1073330596 /nfs/dbraw/zinc/33/05/96/1073330596.db2.gz ZJXMCXUQWQAFAB-GOSISDBHSA-N 0 3 448.593 0.995 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001617710321 1073330525 /nfs/dbraw/zinc/33/05/25/1073330525.db2.gz ZJXMCXUQWQAFAB-SFHVURJKSA-N 0 3 448.593 0.995 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC2CC2)CC1 ZINC001617711981 1073330914 /nfs/dbraw/zinc/33/09/14/1073330914.db2.gz HZWXELVFNMNQKN-UHFFFAOYSA-N 0 3 433.582 0.687 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001617713496 1073331148 /nfs/dbraw/zinc/33/11/48/1073331148.db2.gz STRUEHYTEKNABD-KRWDZBQOSA-N 0 3 442.630 0.917 20 0 ICADHN CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001617713497 1073331286 /nfs/dbraw/zinc/33/12/86/1073331286.db2.gz STRUEHYTEKNABD-QGZVFWFLSA-N 0 3 442.630 0.917 20 0 ICADHN Cc1c(C(=O)NCCS(=O)(=O)N2CCCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC001617739453 1073333174 /nfs/dbraw/zinc/33/31/74/1073333174.db2.gz DOEVIETTXZWCRZ-UHFFFAOYSA-N 0 3 432.550 0.719 20 0 ICADHN CN(c1nnc(-c2cnn(C)c2)n1CCN1CC=CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC001617743267 1073333569 /nfs/dbraw/zinc/33/35/69/1073333569.db2.gz XMWVESQIIBZMOY-UHFFFAOYSA-N 0 3 448.597 0.801 20 0 ICADHN CN(C)C1(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001617743313 1073333513 /nfs/dbraw/zinc/33/35/13/1073333513.db2.gz YBZXWYQTXYWEIE-INIZCTEOSA-N 0 3 437.570 0.413 20 0 ICADHN CN(C)C1(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001617743321 1073333525 /nfs/dbraw/zinc/33/35/25/1073333525.db2.gz YBZXWYQTXYWEIE-MRXNPFEDSA-N 0 3 437.570 0.413 20 0 ICADHN CN1CCN(CCNC(=O)Cn2nc(Br)c(Br)n2)CC1(C)C ZINC001617744384 1073333953 /nfs/dbraw/zinc/33/39/53/1073333953.db2.gz LXROERYIMDHMEO-UHFFFAOYSA-N 0 3 438.168 0.945 20 0 ICADHN CN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617745968 1073333800 /nfs/dbraw/zinc/33/38/00/1073333800.db2.gz PEUUPLYFGZZORJ-CVEARBPZSA-N 0 3 438.598 0.975 20 0 ICADHN CN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617745971 1073333761 /nfs/dbraw/zinc/33/37/61/1073333761.db2.gz PEUUPLYFGZZORJ-HOTGVXAUSA-N 0 3 438.598 0.975 20 0 ICADHN CN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617745972 1073333837 /nfs/dbraw/zinc/33/38/37/1073333837.db2.gz PEUUPLYFGZZORJ-HZPDHXFCSA-N 0 3 438.598 0.975 20 0 ICADHN CN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617745974 1073334001 /nfs/dbraw/zinc/33/40/01/1073334001.db2.gz PEUUPLYFGZZORJ-JKSUJKDBSA-N 0 3 438.598 0.975 20 0 ICADHN CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC001617813157 1073343477 /nfs/dbraw/zinc/34/34/77/1073343477.db2.gz CKDXVJVUOZCZHG-UHFFFAOYSA-N 0 3 431.562 0.897 20 0 ICADHN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001617858970 1073345127 /nfs/dbraw/zinc/34/51/27/1073345127.db2.gz MXTGYHVPVNNTKN-FQEVSTJZSA-N 0 3 446.548 0.496 20 0 ICADHN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001617858971 1073345046 /nfs/dbraw/zinc/34/50/46/1073345046.db2.gz MXTGYHVPVNNTKN-HXUWFJFHSA-N 0 3 446.548 0.496 20 0 ICADHN CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 ZINC001617974436 1073351863 /nfs/dbraw/zinc/35/18/63/1073351863.db2.gz AHUQFXHUQCPHQO-RDJZCZTQSA-N 0 3 447.598 0.932 20 0 ICADHN CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 ZINC001617974437 1073351965 /nfs/dbraw/zinc/35/19/65/1073351965.db2.gz AHUQFXHUQCPHQO-WBVHZDCISA-N 0 3 447.598 0.932 20 0 ICADHN COc1cccc([C@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)N2CCCC2)c1 ZINC001618073935 1073358056 /nfs/dbraw/zinc/35/80/56/1073358056.db2.gz UFJVZQAMHDFINZ-KRWDZBQOSA-N 0 3 429.477 0.400 20 0 ICADHN COc1cccc([C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)N2CCCC2)c1 ZINC001618073941 1073358147 /nfs/dbraw/zinc/35/81/47/1073358147.db2.gz UFJVZQAMHDFINZ-QGZVFWFLSA-N 0 3 429.477 0.400 20 0 ICADHN COCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CCOCC1 ZINC001618083939 1073358654 /nfs/dbraw/zinc/35/86/54/1073358654.db2.gz IGOUPKXNZLUSNZ-UHFFFAOYSA-N 0 3 439.578 0.922 20 0 ICADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001618177407 1073365218 /nfs/dbraw/zinc/36/52/18/1073365218.db2.gz CXVJFPHRIDBFLO-INIZCTEOSA-N 0 3 430.571 0.930 20 0 ICADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001618177408 1073365438 /nfs/dbraw/zinc/36/54/38/1073365438.db2.gz CXVJFPHRIDBFLO-MRXNPFEDSA-N 0 3 430.571 0.930 20 0 ICADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC001618183502 1073365774 /nfs/dbraw/zinc/36/57/74/1073365774.db2.gz FUAURVJDCUYSKT-MRXNPFEDSA-N 0 3 446.529 0.359 20 0 ICADHN CCN(CC)CC[C@H](CO)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001618204462 1073366943 /nfs/dbraw/zinc/36/69/43/1073366943.db2.gz DKKNUZLJWSUBAI-CVEARBPZSA-N 0 3 435.587 0.620 20 0 ICADHN CCN(CC)CC[C@@H](CO)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001618204468 1073366938 /nfs/dbraw/zinc/36/69/38/1073366938.db2.gz DKKNUZLJWSUBAI-HOTGVXAUSA-N 0 3 435.587 0.620 20 0 ICADHN CCN(CC)CC[C@H](CO)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001618204470 1073366824 /nfs/dbraw/zinc/36/68/24/1073366824.db2.gz DKKNUZLJWSUBAI-HZPDHXFCSA-N 0 3 435.587 0.620 20 0 ICADHN CCN(CC)CC[C@@H](CO)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001618204472 1073366950 /nfs/dbraw/zinc/36/69/50/1073366950.db2.gz DKKNUZLJWSUBAI-JKSUJKDBSA-N 0 3 435.587 0.620 20 0 ICADHN CN(C)C1(Cn2c(-c3cnccn3)nnc2N(C)CCCS(C)(=O)=O)CCOCC1 ZINC001618254615 1073369526 /nfs/dbraw/zinc/36/95/26/1073369526.db2.gz CBKNFSDFBJPKAQ-UHFFFAOYSA-N 0 3 437.570 0.717 20 0 ICADHN CN(CCn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)Cc1ccc(F)cc1 ZINC001618283681 1073371678 /nfs/dbraw/zinc/37/16/78/1073371678.db2.gz BAUWLXPXLRZSEA-UHFFFAOYSA-N 0 3 429.500 0.608 20 0 ICADHN CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001618312298 1073377272 /nfs/dbraw/zinc/37/72/72/1073377272.db2.gz YUKQIHJTPILPDK-DLBZAZTESA-N 0 3 449.581 0.518 20 0 ICADHN CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001618312299 1073377148 /nfs/dbraw/zinc/37/71/48/1073377148.db2.gz YUKQIHJTPILPDK-IAGOWNOFSA-N 0 3 449.581 0.518 20 0 ICADHN CN(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001618312301 1073377561 /nfs/dbraw/zinc/37/75/61/1073377561.db2.gz YUKQIHJTPILPDK-IRXDYDNUSA-N 0 3 449.581 0.518 20 0 ICADHN CN(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 ZINC001618312303 1073377584 /nfs/dbraw/zinc/37/75/84/1073377584.db2.gz YUKQIHJTPILPDK-SJORKVTESA-N 0 3 449.581 0.518 20 0 ICADHN CN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001618354084 1073379878 /nfs/dbraw/zinc/37/98/78/1073379878.db2.gz ARIIGLCRHMYHOK-UHFFFAOYSA-N 0 3 449.625 0.771 20 0 ICADHN Cn1cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC(F)(F)F)cn1 ZINC001618397904 1073385107 /nfs/dbraw/zinc/38/51/07/1073385107.db2.gz VYJLPEMIBOLADN-UHFFFAOYSA-N 0 3 426.447 0.985 20 0 ICADHN CC(C)N(CCCNC(=O)CNC1(C(N)=O)C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC001618446022 1073389523 /nfs/dbraw/zinc/38/95/23/1073389523.db2.gz HKJRXBMGYUHLNP-UHFFFAOYSA-N 0 3 428.599 0.433 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 ZINC001618474048 1073397919 /nfs/dbraw/zinc/39/79/19/1073397919.db2.gz CWLXDQHPHNRPHF-KRWDZBQOSA-N 0 3 431.585 0.845 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 ZINC001618474049 1073398026 /nfs/dbraw/zinc/39/80/26/1073398026.db2.gz CWLXDQHPHNRPHF-QGZVFWFLSA-N 0 3 431.585 0.845 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001618474584 1073398056 /nfs/dbraw/zinc/39/80/56/1073398056.db2.gz GSJVXMJPUNLFOZ-IAGOWNOFSA-N 0 3 431.585 0.888 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001618474585 1073397849 /nfs/dbraw/zinc/39/78/49/1073397849.db2.gz GSJVXMJPUNLFOZ-SJORKVTESA-N 0 3 431.585 0.888 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001618475250 1073398754 /nfs/dbraw/zinc/39/87/54/1073398754.db2.gz LUDQUYYYRKKUDX-HNNXBMFYSA-N 0 3 439.511 0.355 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 ZINC001618475251 1073398459 /nfs/dbraw/zinc/39/84/59/1073398459.db2.gz LUDQUYYYRKKUDX-OAHLLOKOSA-N 0 3 439.511 0.355 20 0 ICADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)CC1 ZINC001618476107 1073399107 /nfs/dbraw/zinc/39/91/07/1073399107.db2.gz UYDFGHJGMOTYHD-HNNXBMFYSA-N 0 3 426.587 0.363 20 0 ICADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)CC1 ZINC001618476115 1073399271 /nfs/dbraw/zinc/39/92/71/1073399271.db2.gz UYDFGHJGMOTYHD-OAHLLOKOSA-N 0 3 426.587 0.363 20 0 ICADHN CN(C)CCSc1nc(CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cs1 ZINC001618476205 1073399359 /nfs/dbraw/zinc/39/93/59/1073399359.db2.gz PRZKWWWMOUOUHB-HNNXBMFYSA-N 0 3 441.623 0.389 20 0 ICADHN CN(C)CCSc1nc(CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cs1 ZINC001618476207 1073399229 /nfs/dbraw/zinc/39/92/29/1073399229.db2.gz PRZKWWWMOUOUHB-OAHLLOKOSA-N 0 3 441.623 0.389 20 0 ICADHN O=C(CN1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001618484061 1073403703 /nfs/dbraw/zinc/40/37/03/1073403703.db2.gz DSUTYYYDAHTYCW-GOSISDBHSA-N 0 3 447.561 0.352 20 0 ICADHN O=C(CN1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001618484062 1073403610 /nfs/dbraw/zinc/40/36/10/1073403610.db2.gz DSUTYYYDAHTYCW-SFHVURJKSA-N 0 3 447.561 0.352 20 0 ICADHN CN1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1(C)C ZINC001618488324 1073405390 /nfs/dbraw/zinc/40/53/90/1073405390.db2.gz JYODFPGGVTYCJC-KRWDZBQOSA-N 0 3 440.614 0.433 20 0 ICADHN CN1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCOCC2)CC1(C)C ZINC001618488327 1073405322 /nfs/dbraw/zinc/40/53/22/1073405322.db2.gz JYODFPGGVTYCJC-QGZVFWFLSA-N 0 3 440.614 0.433 20 0 ICADHN CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618488512 1073406441 /nfs/dbraw/zinc/40/64/41/1073406441.db2.gz NTRXFCMRPIEDRS-UHFFFAOYSA-N 0 3 440.596 0.992 20 0 ICADHN CN1CCN(CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489187 1073406642 /nfs/dbraw/zinc/40/66/42/1073406642.db2.gz TYOZYIIPJZDUJT-MRXNPFEDSA-N 0 3 427.557 0.463 20 0 ICADHN CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)CC1(C)C ZINC001618489263 1073406518 /nfs/dbraw/zinc/40/65/18/1073406518.db2.gz UQJBTQWPVPIQIN-UHFFFAOYSA-N 0 3 446.600 0.128 20 0 ICADHN CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489380 1073406490 /nfs/dbraw/zinc/40/64/90/1073406490.db2.gz YEGJLJLNCYSWET-IBGZPJMESA-N 0 3 440.596 0.992 20 0 ICADHN CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001618489381 1073406077 /nfs/dbraw/zinc/40/60/77/1073406077.db2.gz YEGJLJLNCYSWET-LJQANCHMSA-N 0 3 440.596 0.992 20 0 ICADHN CN1CCN(CCn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001618489632 1073406323 /nfs/dbraw/zinc/40/63/23/1073406323.db2.gz ZZUAQNRUGKSSEV-IBGZPJMESA-N 0 3 440.596 0.992 20 0 ICADHN Cn1nnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001618494834 1073407559 /nfs/dbraw/zinc/40/75/59/1073407559.db2.gz RPFUGPUVCAHZDZ-UHFFFAOYSA-N 0 3 430.561 0.644 20 0 ICADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001618501430 1073409855 /nfs/dbraw/zinc/40/98/55/1073409855.db2.gz WAVIDOZZRCLWKN-KBXCAEBGSA-N 0 3 445.969 0.691 20 0 ICADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001618501431 1073409744 /nfs/dbraw/zinc/40/97/44/1073409744.db2.gz WAVIDOZZRCLWKN-KSSFIOAISA-N 0 3 445.969 0.691 20 0 ICADHN CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001618508752 1073410600 /nfs/dbraw/zinc/41/06/00/1073410600.db2.gz FCYVQBUXWWCTJJ-UHFFFAOYSA-N 0 3 442.568 0.790 20 0 ICADHN COc1ccc(NC(=O)CNC(C)(C)CN2CCOCC2)cc1S(=O)(=O)N(C)C ZINC001618547685 1073421762 /nfs/dbraw/zinc/42/17/62/1073421762.db2.gz NKIWAXOGYJZDEB-UHFFFAOYSA-N 0 3 428.555 0.584 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001618553773 1073422562 /nfs/dbraw/zinc/42/25/62/1073422562.db2.gz GRNACEUGNJOFQK-BBWFWOEESA-N 0 3 440.614 0.730 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001618553774 1073422577 /nfs/dbraw/zinc/42/25/77/1073422577.db2.gz GRNACEUGNJOFQK-BRWVUGGUSA-N 0 3 440.614 0.730 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001618553775 1073422658 /nfs/dbraw/zinc/42/26/58/1073422658.db2.gz GRNACEUGNJOFQK-GVDBMIGSSA-N 0 3 440.614 0.730 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001618553776 1073422675 /nfs/dbraw/zinc/42/26/75/1073422675.db2.gz GRNACEUGNJOFQK-ZACQAIPSSA-N 0 3 440.614 0.730 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001618557164 1073423772 /nfs/dbraw/zinc/42/37/72/1073423772.db2.gz UWDYKUOGHRXXQZ-CVEARBPZSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001618557167 1073423679 /nfs/dbraw/zinc/42/36/79/1073423679.db2.gz UWDYKUOGHRXXQZ-HOTGVXAUSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001618557171 1073423939 /nfs/dbraw/zinc/42/39/39/1073423939.db2.gz UWDYKUOGHRXXQZ-HZPDHXFCSA-N 0 3 440.614 0.873 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001618557173 1073423607 /nfs/dbraw/zinc/42/36/07/1073423607.db2.gz UWDYKUOGHRXXQZ-JKSUJKDBSA-N 0 3 440.614 0.873 20 0 ICADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@H](O)c1ccccc1Br ZINC001618559564 1073424507 /nfs/dbraw/zinc/42/45/07/1073424507.db2.gz VJRDZMPAJPXAHE-AWEZNQCLSA-N 0 3 436.310 0.862 20 0 ICADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@@H](O)c1ccccc1Br ZINC001618559565 1073424366 /nfs/dbraw/zinc/42/43/66/1073424366.db2.gz VJRDZMPAJPXAHE-CQSZACIVSA-N 0 3 436.310 0.862 20 0 ICADHN CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001618564357 1073425780 /nfs/dbraw/zinc/42/57/80/1073425780.db2.gz OREGMRLDXGPUNS-JOCHJYFZSA-N 0 3 448.616 0.405 20 0 ICADHN CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001618564359 1073425957 /nfs/dbraw/zinc/42/59/57/1073425957.db2.gz OREGMRLDXGPUNS-QFIPXVFZSA-N 0 3 448.616 0.405 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001618565943 1073426542 /nfs/dbraw/zinc/42/65/42/1073426542.db2.gz XPGIOBLWBQQYEY-FGTMMUONSA-N 0 3 449.600 0.891 20 0 ICADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001618565945 1073427266 /nfs/dbraw/zinc/42/72/66/1073427266.db2.gz XPGIOBLWBQQYEY-KZNAEPCWSA-N 0 3 449.600 0.891 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001618565946 1073427304 /nfs/dbraw/zinc/42/73/04/1073427304.db2.gz XPGIOBLWBQQYEY-OKZBNKHCSA-N 0 3 449.600 0.891 20 0 ICADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001618565948 1073427233 /nfs/dbraw/zinc/42/72/33/1073427233.db2.gz XPGIOBLWBQQYEY-RCCFBDPRSA-N 0 3 449.600 0.891 20 0 ICADHN Cc1nnc([C@@H]2CCN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)[nH]1 ZINC001618600209 1073436575 /nfs/dbraw/zinc/43/65/75/1073436575.db2.gz YIBGJTBJACQGDE-GOSISDBHSA-N 0 3 432.550 0.577 20 0 ICADHN Cc1nc([C@@H]2CCN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)n[nH]1 ZINC001618600209 1073436564 /nfs/dbraw/zinc/43/65/64/1073436564.db2.gz YIBGJTBJACQGDE-GOSISDBHSA-N 0 3 432.550 0.577 20 0 ICADHN Cc1nnc([C@H]2CCN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)[nH]1 ZINC001618600210 1073436510 /nfs/dbraw/zinc/43/65/10/1073436510.db2.gz YIBGJTBJACQGDE-SFHVURJKSA-N 0 3 432.550 0.577 20 0 ICADHN Cc1nc([C@H]2CCN(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)n[nH]1 ZINC001618600210 1073436503 /nfs/dbraw/zinc/43/65/03/1073436503.db2.gz YIBGJTBJACQGDE-SFHVURJKSA-N 0 3 432.550 0.577 20 0 ICADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN[C@H](C)C3(OC)CCOCC3)C2=O)cc1 ZINC001618638097 1073444717 /nfs/dbraw/zinc/44/47/17/1073444717.db2.gz UFQBATMBLHSWJH-JLTOFOAXSA-N 0 3 434.493 0.667 20 0 ICADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN[C@@H](C)C3(OC)CCOCC3)C2=O)cc1 ZINC001618638098 1073444993 /nfs/dbraw/zinc/44/49/93/1073444993.db2.gz UFQBATMBLHSWJH-VBKZILBWSA-N 0 3 434.493 0.667 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@H](C)C3(OC)CCOCC3)C2=O)cc1 ZINC001618638099 1073444754 /nfs/dbraw/zinc/44/47/54/1073444754.db2.gz UFQBATMBLHSWJH-VLIAUNLRSA-N 0 3 434.493 0.667 20 0 ICADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@@H](C)C3(OC)CCOCC3)C2=O)cc1 ZINC001618638100 1073444824 /nfs/dbraw/zinc/44/48/24/1073444824.db2.gz UFQBATMBLHSWJH-XOBRGWDASA-N 0 3 434.493 0.667 20 0 ICADHN CNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001618670539 1073452644 /nfs/dbraw/zinc/45/26/44/1073452644.db2.gz AEBZLBJLPWDBDG-GOSISDBHSA-N 0 3 433.601 0.770 20 0 ICADHN CNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001618670543 1073452683 /nfs/dbraw/zinc/45/26/83/1073452683.db2.gz AEBZLBJLPWDBDG-SFHVURJKSA-N 0 3 433.601 0.770 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H](C)C[C@H](CO)C3)CC2)c1 ZINC001618671342 1073452544 /nfs/dbraw/zinc/45/25/44/1073452544.db2.gz YRYJKSQZYGTMHM-AEFFLSMTSA-N 0 3 437.562 0.672 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H](CO)C[C@H](C)C3)CC2)c1 ZINC001618671345 1073452718 /nfs/dbraw/zinc/45/27/18/1073452718.db2.gz YRYJKSQZYGTMHM-FUHWJXTLSA-N 0 3 437.562 0.672 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@H](C)C[C@@H](CO)C3)CC2)c1 ZINC001618671348 1073452567 /nfs/dbraw/zinc/45/25/67/1073452567.db2.gz YRYJKSQZYGTMHM-SJLPKXTDSA-N 0 3 437.562 0.672 20 0 ICADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C[C@@H](C)C[C@H](CO)C3)CC2)c1 ZINC001618671351 1073452614 /nfs/dbraw/zinc/45/26/14/1073452614.db2.gz YRYJKSQZYGTMHM-WMZOPIPTSA-N 0 3 437.562 0.672 20 0 ICADHN CNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001618672022 1073453388 /nfs/dbraw/zinc/45/33/88/1073453388.db2.gz LUJKFFLLBBFRAF-INIZCTEOSA-N 0 3 440.614 0.730 20 0 ICADHN CNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001618672025 1073453366 /nfs/dbraw/zinc/45/33/66/1073453366.db2.gz LUJKFFLLBBFRAF-MRXNPFEDSA-N 0 3 440.614 0.730 20 0 ICADHN CNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CCOC)CC1 ZINC001618678900 1073454431 /nfs/dbraw/zinc/45/44/31/1073454431.db2.gz OFOXZMWBXHVHQX-UHFFFAOYSA-N 0 3 432.573 0.680 20 0 ICADHN COc1ccc(NC(=O)c2ccnn2CCN(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC001618705336 1073476082 /nfs/dbraw/zinc/47/60/82/1073476082.db2.gz AZIAJNIYZSBAHV-UHFFFAOYSA-N 0 3 437.522 0.727 20 0 ICADHN COc1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001618706778 1073477040 /nfs/dbraw/zinc/47/70/40/1073477040.db2.gz VLXMEADVRJIICL-UHFFFAOYSA-N 0 3 439.534 0.765 20 0 ICADHN O=C(NC1CCN(CCOCCN2C(=O)c3ccccc3C2=O)CC1)N1CCOCC1 ZINC001618740966 1073486346 /nfs/dbraw/zinc/48/63/46/1073486346.db2.gz ODKDNKWTJPTDQD-UHFFFAOYSA-N 0 3 430.505 0.805 20 0 ICADHN CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001618743162 1073487035 /nfs/dbraw/zinc/48/70/35/1073487035.db2.gz VBXIQXTWKIZHBR-UHFFFAOYSA-N 0 3 429.573 0.724 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001618772426 1073495504 /nfs/dbraw/zinc/49/55/04/1073495504.db2.gz ZOCZGRJWDVSHSC-HNNXBMFYSA-N 0 3 426.587 0.627 20 0 ICADHN CNC(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001618772427 1073495576 /nfs/dbraw/zinc/49/55/76/1073495576.db2.gz ZOCZGRJWDVSHSC-OAHLLOKOSA-N 0 3 426.587 0.627 20 0 ICADHN CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618796440 1073500640 /nfs/dbraw/zinc/50/06/40/1073500640.db2.gz VHYZDCOHDZMPPT-KRWDZBQOSA-N 0 3 426.525 0.219 20 0 ICADHN CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618796442 1073500683 /nfs/dbraw/zinc/50/06/83/1073500683.db2.gz VHYZDCOHDZMPPT-QGZVFWFLSA-N 0 3 426.525 0.219 20 0 ICADHN CNC(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001618799006 1073501171 /nfs/dbraw/zinc/50/11/71/1073501171.db2.gz AZYDNDMYUWHVIY-KRWDZBQOSA-N 0 3 427.557 0.476 20 0 ICADHN CNC(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001618799008 1073501126 /nfs/dbraw/zinc/50/11/26/1073501126.db2.gz AZYDNDMYUWHVIY-QGZVFWFLSA-N 0 3 427.557 0.476 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618801878 1073503123 /nfs/dbraw/zinc/50/31/23/1073503123.db2.gz UOZHNZDZCBWNRY-DLBZAZTESA-N 0 3 433.557 0.399 20 0 ICADHN CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618801879 1073503005 /nfs/dbraw/zinc/50/30/05/1073503005.db2.gz UOZHNZDZCBWNRY-IAGOWNOFSA-N 0 3 433.557 0.399 20 0 ICADHN CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618801880 1073503760 /nfs/dbraw/zinc/50/37/60/1073503760.db2.gz UOZHNZDZCBWNRY-IRXDYDNUSA-N 0 3 433.557 0.399 20 0 ICADHN CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618801881 1073503685 /nfs/dbraw/zinc/50/36/85/1073503685.db2.gz UOZHNZDZCBWNRY-SJORKVTESA-N 0 3 433.557 0.399 20 0 ICADHN CNC(=O)CCn1c(CC(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001618805586 1073504961 /nfs/dbraw/zinc/50/49/61/1073504961.db2.gz MTGWZTBCVRHBMU-HKUYNNGSSA-N 0 3 433.601 0.992 20 0 ICADHN CNC(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001618805590 1073505222 /nfs/dbraw/zinc/50/52/22/1073505222.db2.gz MTGWZTBCVRHBMU-IEBWSBKVSA-N 0 3 433.601 0.992 20 0 ICADHN CNC(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001618805593 1073505140 /nfs/dbraw/zinc/50/51/40/1073505140.db2.gz MTGWZTBCVRHBMU-MJGOQNOKSA-N 0 3 433.601 0.992 20 0 ICADHN CNC(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001618805596 1073505027 /nfs/dbraw/zinc/50/50/27/1073505027.db2.gz MTGWZTBCVRHBMU-PKOBYXMFSA-N 0 3 433.601 0.992 20 0 ICADHN CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618809358 1073507009 /nfs/dbraw/zinc/50/70/09/1073507009.db2.gz LWZJVJHWOAGJRD-GOSISDBHSA-N 0 3 440.552 0.143 20 0 ICADHN CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618809359 1073506861 /nfs/dbraw/zinc/50/68/61/1073506861.db2.gz LWZJVJHWOAGJRD-SFHVURJKSA-N 0 3 440.552 0.143 20 0 ICADHN CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001618812344 1073508037 /nfs/dbraw/zinc/50/80/37/1073508037.db2.gz KSJLGUZPFLOLHV-UHFFFAOYSA-N 0 3 433.557 0.085 20 0 ICADHN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001618818937 1073509465 /nfs/dbraw/zinc/50/94/65/1073509465.db2.gz BWYLTFVWSVRWNQ-AOIWGVFYSA-N 0 3 436.557 0.297 20 0 ICADHN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001618818940 1073509487 /nfs/dbraw/zinc/50/94/87/1073509487.db2.gz BWYLTFVWSVRWNQ-LNLFQRSKSA-N 0 3 436.557 0.297 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001618820918 1073509849 /nfs/dbraw/zinc/50/98/49/1073509849.db2.gz UETYMBFZFQBRPR-KRWDZBQOSA-N 0 3 434.589 0.998 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001618820920 1073509819 /nfs/dbraw/zinc/50/98/19/1073509819.db2.gz UETYMBFZFQBRPR-QGZVFWFLSA-N 0 3 434.589 0.998 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)CC1 ZINC001618823789 1073511267 /nfs/dbraw/zinc/51/12/67/1073511267.db2.gz ITPPGGFTAPVVSP-INIZCTEOSA-N 0 3 441.540 0.871 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)CC1 ZINC001618823791 1073511051 /nfs/dbraw/zinc/51/10/51/1073511051.db2.gz ITPPGGFTAPVVSP-MRXNPFEDSA-N 0 3 441.540 0.871 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001618833541 1073515095 /nfs/dbraw/zinc/51/50/95/1073515095.db2.gz OMAUMDYAKXPFHF-GOSISDBHSA-N 0 3 446.600 0.950 20 0 ICADHN CNC(=O)N1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001618833542 1073515173 /nfs/dbraw/zinc/51/51/73/1073515173.db2.gz OMAUMDYAKXPFHF-SFHVURJKSA-N 0 3 446.600 0.950 20 0 ICADHN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001618838899 1073519542 /nfs/dbraw/zinc/51/95/42/1073519542.db2.gz KRUKEMKBKRZKBL-UHFFFAOYSA-N 0 3 427.575 0.030 20 0 ICADHN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001618839008 1073519465 /nfs/dbraw/zinc/51/94/65/1073519465.db2.gz OAXYPKWYHHNALC-UHFFFAOYSA-N 0 3 443.618 0.524 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001618842820 1073524124 /nfs/dbraw/zinc/52/41/24/1073524124.db2.gz GSPBFNFKDNXTPY-INIZCTEOSA-N 0 3 435.554 0.048 20 0 ICADHN CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001618842821 1073524296 /nfs/dbraw/zinc/52/42/96/1073524296.db2.gz GSPBFNFKDNXTPY-MRXNPFEDSA-N 0 3 435.554 0.048 20 0 ICADHN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001618845281 1073529337 /nfs/dbraw/zinc/52/93/37/1073529337.db2.gz YAWLZBFAXWDAQG-HOTGVXAUSA-N 0 3 442.586 0.021 20 0 ICADHN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001618845282 1073529239 /nfs/dbraw/zinc/52/92/39/1073529239.db2.gz YAWLZBFAXWDAQG-JKSUJKDBSA-N 0 3 442.586 0.021 20 0 ICADHN CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001618845819 1073530458 /nfs/dbraw/zinc/53/04/58/1073530458.db2.gz QNRZWCIFWYBHJH-UHFFFAOYSA-N 0 3 433.582 0.878 20 0 ICADHN CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001618846133 1073530950 /nfs/dbraw/zinc/53/09/50/1073530950.db2.gz BFYWMVBLJSFWLW-UHFFFAOYSA-N 0 3 426.587 0.328 20 0 ICADHN COC(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001618861187 1073537719 /nfs/dbraw/zinc/53/77/19/1073537719.db2.gz QNJQMAWMWZFTSD-INIZCTEOSA-N 0 3 435.573 0.442 20 0 ICADHN COC(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001618861190 1073537660 /nfs/dbraw/zinc/53/76/60/1073537660.db2.gz QNJQMAWMWZFTSD-MRXNPFEDSA-N 0 3 435.573 0.442 20 0 ICADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001618869879 1073539224 /nfs/dbraw/zinc/53/92/24/1073539224.db2.gz JUWZHMZRANRDIE-QUCCMNQESA-N 0 3 435.546 0.833 20 0 ICADHN COC(=O)C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C[C@H]1O ZINC001618883389 1073543791 /nfs/dbraw/zinc/54/37/91/1073543791.db2.gz RATGPVPGXXKNFE-HZPDHXFCSA-N 0 3 443.508 0.381 20 0 ICADHN COC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001618891957 1073548142 /nfs/dbraw/zinc/54/81/42/1073548142.db2.gz FCNABWVXJOVRRR-KRWDZBQOSA-N 0 3 449.556 0.249 20 0 ICADHN COC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001618891958 1073547894 /nfs/dbraw/zinc/54/78/94/1073547894.db2.gz FCNABWVXJOVRRR-QGZVFWFLSA-N 0 3 449.556 0.249 20 0 ICADHN COC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)CC1 ZINC001618892168 1073548067 /nfs/dbraw/zinc/54/80/67/1073548067.db2.gz MCZPZHBMMGAVGA-UHFFFAOYSA-N 0 3 428.497 0.910 20 0 ICADHN COC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001618898494 1073549755 /nfs/dbraw/zinc/54/97/55/1073549755.db2.gz GLMNMLFYAOUCGY-UHFFFAOYSA-N 0 3 443.556 0.650 20 0 ICADHN COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001618908479 1073552495 /nfs/dbraw/zinc/55/24/95/1073552495.db2.gz SILRJCUKAPQRAY-UHFFFAOYSA-N 0 3 447.584 0.684 20 0 ICADHN CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618929615 1073554039 /nfs/dbraw/zinc/55/40/39/1073554039.db2.gz VATIFBRIJJYSQS-DLBZAZTESA-N 0 3 433.557 0.292 20 0 ICADHN CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618929617 1073554180 /nfs/dbraw/zinc/55/41/80/1073554180.db2.gz VATIFBRIJJYSQS-IAGOWNOFSA-N 0 3 433.557 0.292 20 0 ICADHN CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618929618 1073554127 /nfs/dbraw/zinc/55/41/27/1073554127.db2.gz VATIFBRIJJYSQS-IRXDYDNUSA-N 0 3 433.557 0.292 20 0 ICADHN CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618929620 1073554086 /nfs/dbraw/zinc/55/40/86/1073554086.db2.gz VATIFBRIJJYSQS-SJORKVTESA-N 0 3 433.557 0.292 20 0 ICADHN CO[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001618943089 1073556776 /nfs/dbraw/zinc/55/67/76/1073556776.db2.gz XOEVJLXJUKCMNN-DLBZAZTESA-N 0 3 444.602 0.424 20 0 ICADHN CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001618943090 1073556743 /nfs/dbraw/zinc/55/67/43/1073556743.db2.gz XOEVJLXJUKCMNN-IAGOWNOFSA-N 0 3 444.602 0.424 20 0 ICADHN CO[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001618943091 1073556923 /nfs/dbraw/zinc/55/69/23/1073556923.db2.gz XOEVJLXJUKCMNN-IRXDYDNUSA-N 0 3 444.602 0.424 20 0 ICADHN CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001618943092 1073556989 /nfs/dbraw/zinc/55/69/89/1073556989.db2.gz XOEVJLXJUKCMNN-SJORKVTESA-N 0 3 444.602 0.424 20 0 ICADHN CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001618943175 1073556943 /nfs/dbraw/zinc/55/69/43/1073556943.db2.gz YVXJASZSXWQUBV-CVEARBPZSA-N 0 3 444.602 0.566 20 0 ICADHN CO[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001618943176 1073557009 /nfs/dbraw/zinc/55/70/09/1073557009.db2.gz YVXJASZSXWQUBV-HOTGVXAUSA-N 0 3 444.602 0.566 20 0 ICADHN CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001618943177 1073556880 /nfs/dbraw/zinc/55/68/80/1073556880.db2.gz YVXJASZSXWQUBV-HZPDHXFCSA-N 0 3 444.602 0.566 20 0 ICADHN CO[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001618943178 1073556913 /nfs/dbraw/zinc/55/69/13/1073556913.db2.gz YVXJASZSXWQUBV-JKSUJKDBSA-N 0 3 444.602 0.566 20 0 ICADHN CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618946141 1073556810 /nfs/dbraw/zinc/55/68/10/1073556810.db2.gz CXMMAQSBZAAVAA-DLBZAZTESA-N 0 3 433.557 0.178 20 0 ICADHN CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001618946142 1073556703 /nfs/dbraw/zinc/55/67/03/1073556703.db2.gz CXMMAQSBZAAVAA-IAGOWNOFSA-N 0 3 433.557 0.178 20 0 ICADHN CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618946143 1073556967 /nfs/dbraw/zinc/55/69/67/1073556967.db2.gz CXMMAQSBZAAVAA-IRXDYDNUSA-N 0 3 433.557 0.178 20 0 ICADHN CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001618946144 1073557354 /nfs/dbraw/zinc/55/73/54/1073557354.db2.gz CXMMAQSBZAAVAA-SJORKVTESA-N 0 3 433.557 0.178 20 0 ICADHN CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC001618966806 1073557889 /nfs/dbraw/zinc/55/78/89/1073557889.db2.gz AONWXLMPUXDXIB-MSOLQXFVSA-N 0 3 447.584 0.584 20 0 ICADHN CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC001618966808 1073557850 /nfs/dbraw/zinc/55/78/50/1073557850.db2.gz AONWXLMPUXDXIB-QZTJIDSGSA-N 0 3 447.584 0.584 20 0 ICADHN CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC001618966810 1073557990 /nfs/dbraw/zinc/55/79/90/1073557990.db2.gz AONWXLMPUXDXIB-ROUUACIJSA-N 0 3 447.584 0.584 20 0 ICADHN CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC001618966813 1073558049 /nfs/dbraw/zinc/55/80/49/1073558049.db2.gz AONWXLMPUXDXIB-ZWKOTPCHSA-N 0 3 447.584 0.584 20 0 ICADHN CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC001618967492 1073558074 /nfs/dbraw/zinc/55/80/74/1073558074.db2.gz HCYWDPYWZVXFIF-GOSISDBHSA-N 0 3 449.600 0.832 20 0 ICADHN CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC001618967493 1073557909 /nfs/dbraw/zinc/55/79/09/1073557909.db2.gz HCYWDPYWZVXFIF-SFHVURJKSA-N 0 3 449.600 0.832 20 0 ICADHN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001618995196 1073561369 /nfs/dbraw/zinc/56/13/69/1073561369.db2.gz HPUMVQBYCNTNKL-BZUAXINKSA-N 0 3 440.541 0.633 20 0 ICADHN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001618995197 1073561145 /nfs/dbraw/zinc/56/11/45/1073561145.db2.gz HPUMVQBYCNTNKL-OAGGEKHMSA-N 0 3 440.541 0.633 20 0 ICADHN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001618995198 1073561225 /nfs/dbraw/zinc/56/12/25/1073561225.db2.gz HPUMVQBYCNTNKL-OWCLPIDISA-N 0 3 440.541 0.633 20 0 ICADHN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001618995199 1073561058 /nfs/dbraw/zinc/56/10/58/1073561058.db2.gz HPUMVQBYCNTNKL-PMPSAXMXSA-N 0 3 440.541 0.633 20 0 ICADHN COC1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001619036557 1073564353 /nfs/dbraw/zinc/56/43/53/1073564353.db2.gz ILAVQBRYJCENAI-INIZCTEOSA-N 0 3 429.525 0.997 20 0 ICADHN COC1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)C1 ZINC001619036558 1073564460 /nfs/dbraw/zinc/56/44/60/1073564460.db2.gz ILAVQBRYJCENAI-MRXNPFEDSA-N 0 3 429.525 0.997 20 0 ICADHN COC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001619041677 1073565007 /nfs/dbraw/zinc/56/50/07/1073565007.db2.gz SBXGZIRPGILYPE-INIZCTEOSA-N 0 3 440.614 0.431 20 0 ICADHN COC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001619041678 1073565697 /nfs/dbraw/zinc/56/56/97/1073565697.db2.gz SBXGZIRPGILYPE-MRXNPFEDSA-N 0 3 440.614 0.431 20 0 ICADHN COC1(C)CN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001619042756 1073566054 /nfs/dbraw/zinc/56/60/54/1073566054.db2.gz JAMKTKNNQZLLML-KRWDZBQOSA-N 0 3 447.584 0.568 20 0 ICADHN COC1(C)CN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001619042757 1073566156 /nfs/dbraw/zinc/56/61/56/1073566156.db2.gz JAMKTKNNQZLLML-QGZVFWFLSA-N 0 3 447.584 0.568 20 0 ICADHN CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462906 1073588995 /nfs/dbraw/zinc/58/89/95/1073588995.db2.gz NNEMZTSLNYCALW-DOMZBBRYSA-N 0 3 429.505 0.988 20 0 ICADHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462907 1073588832 /nfs/dbraw/zinc/58/88/32/1073588832.db2.gz NNEMZTSLNYCALW-IUODEOHRSA-N 0 3 429.505 0.988 20 0 ICADHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462908 1073588919 /nfs/dbraw/zinc/58/89/19/1073588919.db2.gz NNEMZTSLNYCALW-SWLSCSKDSA-N 0 3 429.505 0.988 20 0 ICADHN CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001619462909 1073588744 /nfs/dbraw/zinc/58/87/44/1073588744.db2.gz NNEMZTSLNYCALW-WFASDCNBSA-N 0 3 429.505 0.988 20 0 ICADHN COCC(=O)N1CCN(c2nnc(C3CCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001619549718 1073599075 /nfs/dbraw/zinc/59/90/75/1073599075.db2.gz LWHJBMLWVJEAPE-UHFFFAOYSA-N 0 3 433.601 0.867 20 0 ICADHN COCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC2)CC1 ZINC001619552781 1073599458 /nfs/dbraw/zinc/59/94/58/1073599458.db2.gz QRBCYVNRAXAZKQ-UHFFFAOYSA-N 0 3 433.557 0.341 20 0 ICADHN COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001619574449 1073601760 /nfs/dbraw/zinc/60/17/60/1073601760.db2.gz SIJZNCHTKZWEPL-DLBZAZTESA-N 0 3 435.573 0.442 20 0 ICADHN COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001619574450 1073601779 /nfs/dbraw/zinc/60/17/79/1073601779.db2.gz SIJZNCHTKZWEPL-IAGOWNOFSA-N 0 3 435.573 0.442 20 0 ICADHN COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001619574478 1073601804 /nfs/dbraw/zinc/60/18/04/1073601804.db2.gz SIJZNCHTKZWEPL-IRXDYDNUSA-N 0 3 435.573 0.442 20 0 ICADHN COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001619574479 1073601747 /nfs/dbraw/zinc/60/17/47/1073601747.db2.gz SIJZNCHTKZWEPL-SJORKVTESA-N 0 3 435.573 0.442 20 0 ICADHN COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001619609384 1073608712 /nfs/dbraw/zinc/60/87/12/1073608712.db2.gz ZBLHSUKAIPUCLU-FGTMMUONSA-N 0 3 436.557 0.534 20 0 ICADHN COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001619609385 1073608857 /nfs/dbraw/zinc/60/88/57/1073608857.db2.gz ZBLHSUKAIPUCLU-KZNAEPCWSA-N 0 3 436.557 0.534 20 0 ICADHN COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001619609386 1073608789 /nfs/dbraw/zinc/60/87/89/1073608789.db2.gz ZBLHSUKAIPUCLU-OKZBNKHCSA-N 0 3 436.557 0.534 20 0 ICADHN COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001619609387 1073608641 /nfs/dbraw/zinc/60/86/41/1073608641.db2.gz ZBLHSUKAIPUCLU-RCCFBDPRSA-N 0 3 436.557 0.534 20 0 ICADHN COC[C@@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001619609914 1073609433 /nfs/dbraw/zinc/60/94/33/1073609433.db2.gz JFRCLGRYMJSCSA-CABCVRRESA-N 0 3 448.565 0.174 20 0 ICADHN COC[C@@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001619609915 1073609495 /nfs/dbraw/zinc/60/94/95/1073609495.db2.gz JFRCLGRYMJSCSA-GJZGRUSLSA-N 0 3 448.565 0.174 20 0 ICADHN COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001619609916 1073609541 /nfs/dbraw/zinc/60/95/41/1073609541.db2.gz JFRCLGRYMJSCSA-HUUCEWRRSA-N 0 3 448.565 0.174 20 0 ICADHN COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001619609917 1073609453 /nfs/dbraw/zinc/60/94/53/1073609453.db2.gz JFRCLGRYMJSCSA-LSDHHAIUSA-N 0 3 448.565 0.174 20 0 ICADHN CN(C)C(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001620617993 1072038377 /nfs/dbraw/zinc/03/83/77/1072038377.db2.gz VMQWHPGUWRNFBT-INIZCTEOSA-N 0 3 440.541 0.459 20 0 ICADHN CN(C)C(=O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001620617994 1072038465 /nfs/dbraw/zinc/03/84/65/1072038465.db2.gz VMQWHPGUWRNFBT-MRXNPFEDSA-N 0 3 440.541 0.459 20 0 ICADHN O=S(=O)(CCNCc1ccnn1-c1ccncc1)N1CCN(c2ccccn2)CC1 ZINC001620725005 1072038950 /nfs/dbraw/zinc/03/89/50/1072038950.db2.gz SESQMAWQUGLNOK-UHFFFAOYSA-N 0 3 427.534 0.904 20 0 ICADHN Cn1cc(S(=O)(=O)N2CCC(NCc3ccc(S(N)(=O)=O)cc3F)CC2)cn1 ZINC001620810654 1072039675 /nfs/dbraw/zinc/03/96/75/1072039675.db2.gz WPODLSBTINHUPP-UHFFFAOYSA-N 0 3 431.515 0.150 20 0 ICADHN COc1cc(CNC[C@]2(CO)COCC3(CCC3)N2C)cc(Cl)c1OCC(N)=O ZINC001621010287 1072630380 /nfs/dbraw/zinc/63/03/80/1072630380.db2.gz HEZXWAUQXXQAMO-FQEVSTJZSA-N 0 3 427.929 0.918 20 0 ICADHN COc1cc(CNC[C@@]2(CO)COCC3(CCC3)N2C)cc(Cl)c1OCC(N)=O ZINC001621010288 1072630229 /nfs/dbraw/zinc/63/02/29/1072630229.db2.gz HEZXWAUQXXQAMO-HXUWFJFHSA-N 0 3 427.929 0.918 20 0 ICADHN Cn1cc(CNCCCN2CCCS2(=O)=O)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001621025799 1072630366 /nfs/dbraw/zinc/63/03/66/1072630366.db2.gz HNTCABXIQKLLTK-UHFFFAOYSA-N 0 3 431.518 0.732 20 0 ICADHN CCc1ncc(CNC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)n1S(=O)(=O)N(C)C ZINC001621321666 1072657411 /nfs/dbraw/zinc/65/74/11/1072657411.db2.gz IMNBCCNYSHJIJE-MQVJKMGUSA-N 0 3 426.587 0.273 20 0 ICADHN COCCn1cc(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CC2=O)cn1 ZINC001626212614 1072877663 /nfs/dbraw/zinc/87/76/63/1072877663.db2.gz VHGDMBPEQSLWRS-INIZCTEOSA-N 0 3 437.541 0.614 20 0 ICADHN COCCn1cc(N2C[C@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CC2=O)cn1 ZINC001626212615 1072877824 /nfs/dbraw/zinc/87/78/24/1072877824.db2.gz VHGDMBPEQSLWRS-MRXNPFEDSA-N 0 3 437.541 0.614 20 0 ICADHN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1 ZINC001626215946 1073055524 /nfs/dbraw/zinc/05/55/24/1073055524.db2.gz DOMZNVOZRARYEX-HNNXBMFYSA-N 0 3 443.566 0.691 20 0 ICADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1 ZINC001626215947 1073055613 /nfs/dbraw/zinc/05/56/13/1073055613.db2.gz DOMZNVOZRARYEX-OAHLLOKOSA-N 0 3 443.566 0.691 20 0 ICADHN