smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389287 718824472 /nfs/dbraw/zinc/82/44/72/718824472.db2.gz HCSBEPNZHSRGSJ-DLBZAZTESA-N 0 3 429.590 1.969 20 0 IDADHN O=C(COCc1nnn2c1CN(c1ncccc1CN1CCCC1)CCC2)N1CCCC1 ZINC001164638795 719259465 /nfs/dbraw/zinc/25/94/65/719259465.db2.gz PIZYPFGMEBFGMH-UHFFFAOYSA-N 0 3 439.564 1.818 20 0 IDADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CCCN4CC(=O)NC)CC3)nn2)C1 ZINC001164689337 719741215 /nfs/dbraw/zinc/74/12/15/719741215.db2.gz BMUUNLJCBXEFAC-GOSISDBHSA-N 0 3 444.580 1.437 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164690052 719748936 /nfs/dbraw/zinc/74/89/36/719748936.db2.gz RHYZFTUOBOCSAY-UHFFFAOYSA-N 0 3 449.603 1.984 20 0 IDADHN CN(C)Cc1ccnc(N2CCOC[C@@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001164817608 720274544 /nfs/dbraw/zinc/27/45/44/720274544.db2.gz DWVUEJXYCJEVTM-XMSQKQJNSA-N 0 3 426.521 1.118 20 0 IDADHN Cc1nc(CN2CCN(C)C3(CCN(c4ncc5c(n4)CCNC5)CC3)C2=O)cs1 ZINC001164823092 720363650 /nfs/dbraw/zinc/36/36/50/720363650.db2.gz AJPHXSCYEBHQQS-UHFFFAOYSA-N 0 3 427.578 1.200 20 0 IDADHN c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741981 720691612 /nfs/dbraw/zinc/69/16/12/720691612.db2.gz UWVJYQXDSYHWTI-ZWKOTPCHSA-N 0 3 433.516 1.598 20 0 IDADHN c1ncc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)cn1 ZINC001164746805 720755730 /nfs/dbraw/zinc/75/57/30/720755730.db2.gz YOALODCUIAAUSW-ROUUACIJSA-N 0 3 437.552 1.204 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164742883 720762877 /nfs/dbraw/zinc/76/28/77/720762877.db2.gz OYJUQFOSTZFAEN-ZWKOTPCHSA-N 0 3 444.561 1.388 20 0 IDADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164739479 720769832 /nfs/dbraw/zinc/76/98/32/720769832.db2.gz IVBJRFUHZKGTRS-ZWKOTPCHSA-N 0 3 446.577 1.680 20 0 IDADHN CC1(C)NC(=O)N(Cc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)C1=O ZINC001164738310 720771054 /nfs/dbraw/zinc/77/10/54/720771054.db2.gz FTQPCMQKUQHJCR-IRXDYDNUSA-N 0 3 437.504 1.044 20 0 IDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164862009 721036709 /nfs/dbraw/zinc/03/67/09/721036709.db2.gz JWBNJUYDEFEMEB-DEOSSOPVSA-N 0 3 434.544 1.917 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164872574 721143237 /nfs/dbraw/zinc/14/32/37/721143237.db2.gz HQONAOFCUJJXFA-RTBURBONSA-N 0 3 431.562 1.643 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)C[C@H]3C2)cn1 ZINC001164771504 721207982 /nfs/dbraw/zinc/20/79/82/721207982.db2.gz QRCPZRINAYZJNM-RBUKOAKNSA-N 0 3 437.548 1.604 20 0 IDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(CN5CCOCC5)cn4)C3)O2)CC1 ZINC001164888524 721386507 /nfs/dbraw/zinc/38/65/07/721386507.db2.gz JWYKZACWNWHLRU-LADGPHEKSA-N 0 3 429.609 1.679 20 0 IDADHN COCCn1ccc2c1ncnc2N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892907 721416635 /nfs/dbraw/zinc/41/66/35/721416635.db2.gz ZDGZLWQEAMGMOT-AUSIDOKSSA-N 0 3 428.581 1.843 20 0 IDADHN COCCn1ccc2c1ncnc2N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892910 721416682 /nfs/dbraw/zinc/41/66/82/721416682.db2.gz ZDGZLWQEAMGMOT-XXBNENTESA-N 0 3 428.581 1.843 20 0 IDADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898833 721521079 /nfs/dbraw/zinc/52/10/79/721521079.db2.gz JNHSWFKONSVOEQ-DOTOQJQBSA-N 0 3 434.903 1.843 20 0 IDADHN CN(Cc1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1)C1CC1 ZINC001165014191 721766222 /nfs/dbraw/zinc/76/62/22/721766222.db2.gz DYWDEZKJYMQKMY-UHFFFAOYSA-N 0 3 434.548 1.599 20 0 IDADHN CN1c2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979837 722120953 /nfs/dbraw/zinc/12/09/53/722120953.db2.gz QIUMQURIMSXUIH-IRFCIJBXSA-N 0 3 449.559 1.544 20 0 IDADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164624732 719131099 /nfs/dbraw/zinc/13/10/99/719131099.db2.gz VSHATFHZNZFGDL-AWEZNQCLSA-N 0 3 440.834 1.983 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CC2 ZINC001164683712 719725226 /nfs/dbraw/zinc/72/52/26/719725226.db2.gz CWCUWMBGVAOZDQ-UHFFFAOYSA-N 0 3 443.379 1.801 20 0 IDADHN Cc1nc(CN2CCN(C)C3(CCN(c4ncnc5c4CCNC5)CC3)C2=O)cs1 ZINC001164824884 720362708 /nfs/dbraw/zinc/36/27/08/720362708.db2.gz PGZNTAKUMQKHNQ-UHFFFAOYSA-N 0 3 427.578 1.200 20 0 IDADHN COC(=O)C1CCN(c2ccnc(N3CCc4ncc(CN5CCCC5)n4CC3)n2)CC1 ZINC001164729578 720573649 /nfs/dbraw/zinc/57/36/49/720573649.db2.gz RABIJDMEYWUSKH-UHFFFAOYSA-N 0 3 439.564 1.721 20 0 IDADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738648 720752066 /nfs/dbraw/zinc/75/20/66/720752066.db2.gz GMZLHNCVAPEHKB-VXGBXAGGSA-N 0 3 429.868 1.530 20 0 IDADHN c1ncc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)cn1 ZINC001164746800 720756267 /nfs/dbraw/zinc/75/62/67/720756267.db2.gz YOALODCUIAAUSW-MSOLQXFVSA-N 0 3 437.552 1.204 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc2C1 ZINC001164739472 720767408 /nfs/dbraw/zinc/76/74/08/720767408.db2.gz IUEJWGFDDDEVGE-IRXDYDNUSA-N 0 3 425.493 1.123 20 0 IDADHN CC1(C)NC(=O)N(Cc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)C1=O ZINC001164738302 720770129 /nfs/dbraw/zinc/77/01/29/720770129.db2.gz FTQPCMQKUQHJCR-DLBZAZTESA-N 0 3 437.504 1.044 20 0 IDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164863816 721036345 /nfs/dbraw/zinc/03/63/45/721036345.db2.gz UOLIQFFRSMNEDZ-XMMPIXPASA-N 0 3 434.544 1.915 20 0 IDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164862010 721036677 /nfs/dbraw/zinc/03/66/77/721036677.db2.gz JWBNJUYDEFEMEB-XMMPIXPASA-N 0 3 434.544 1.917 20 0 IDADHN c1cncc(CO[C@H]2C[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164871395 721069397 /nfs/dbraw/zinc/06/93/97/721069397.db2.gz YMZXORBIRKWXEC-OALUTQOASA-N 0 3 437.548 1.156 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164872568 721141934 /nfs/dbraw/zinc/14/19/34/721141934.db2.gz HQONAOFCUJJXFA-OALUTQOASA-N 0 3 431.562 1.643 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164872564 721142788 /nfs/dbraw/zinc/14/27/88/721142788.db2.gz HQONAOFCUJJXFA-MOPGFXCFSA-N 0 3 431.562 1.643 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164876528 721165866 /nfs/dbraw/zinc/16/58/66/721165866.db2.gz NATAFBLCIKYZAZ-UXHICEINSA-N 0 3 438.532 1.260 20 0 IDADHN COC(=O)C1CCN(c2ccnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)CC1 ZINC001164762011 721170019 /nfs/dbraw/zinc/17/00/19/721170019.db2.gz BUNHPPJNCFLSNR-UXHICEINSA-N 0 3 439.564 1.558 20 0 IDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(CN5CCOCC5)cn4)C3)O2)CC1 ZINC001164888526 721385593 /nfs/dbraw/zinc/38/55/93/721385593.db2.gz JWYKZACWNWHLRU-UPVQGACJSA-N 0 3 429.609 1.679 20 0 IDADHN C[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2N1C ZINC001164887292 721414397 /nfs/dbraw/zinc/41/43/97/721414397.db2.gz LVMZRILVISDADU-YVHKJVDXSA-N 0 3 429.569 1.019 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164906533 721560235 /nfs/dbraw/zinc/56/02/35/721560235.db2.gz JTZAJSAMGQDABO-UYAOXDASSA-N 0 3 441.507 1.866 20 0 IDADHN Clc1cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c2c(n1)CNCC2 ZINC001164915622 721792259 /nfs/dbraw/zinc/79/22/59/721792259.db2.gz MBXWIPDBDRPAGW-JOCHJYFZSA-N 0 3 429.952 1.884 20 0 IDADHN O=C1CCC(=O)N1Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979621 722129517 /nfs/dbraw/zinc/12/95/17/722129517.db2.gz LOQKDELDLOXAJJ-NHCUHLMSSA-N 0 3 435.528 1.853 20 0 IDADHN O=C1CCC(=O)N1Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979623 722130021 /nfs/dbraw/zinc/13/00/21/722130021.db2.gz LOQKDELDLOXAJJ-RTWAWAEBSA-N 0 3 435.528 1.853 20 0 IDADHN O=C(NC[C@H]1Cn2ccnc2CN(c2ncccc2CN2CCCC2)C1)c1ccnnc1 ZINC001165002818 722241685 /nfs/dbraw/zinc/24/16/85/722241685.db2.gz GRNKJJPTBIGARZ-SFHVURJKSA-N 0 3 432.532 1.730 20 0 IDADHN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCNC(=O)C12CNC2 ZINC001164410802 718878144 /nfs/dbraw/zinc/87/81/44/718878144.db2.gz HICXDQGJPANERT-UHFFFAOYSA-N 0 3 437.834 1.310 20 0 IDADHN CCOC(=O)c1cnc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1C(=O)OCC ZINC001164682433 719707974 /nfs/dbraw/zinc/70/79/74/719707974.db2.gz DUTXEZANNXNTOT-UHFFFAOYSA-N 0 3 433.509 1.011 20 0 IDADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164690164 719741306 /nfs/dbraw/zinc/74/13/06/719741306.db2.gz UXPFVKNOTJNNQK-UHFFFAOYSA-N 0 3 437.610 1.729 20 0 IDADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001164708614 719919734 /nfs/dbraw/zinc/91/97/34/719919734.db2.gz NDZGWYBXGQCMPM-UHFFFAOYSA-N 0 3 429.956 1.065 20 0 IDADHN CN(C)Cc1ccnc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001164817605 720274996 /nfs/dbraw/zinc/27/49/96/720274996.db2.gz DWVUEJXYCJEVTM-AVRDEDQJSA-N 0 3 426.521 1.118 20 0 IDADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncccc1CN1CCCC1)C2 ZINC001164831479 720481724 /nfs/dbraw/zinc/48/17/24/720481724.db2.gz GOSPIESYIXULCX-NRFANRHFSA-N 0 3 440.592 1.864 20 0 IDADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3)cc21 ZINC001164737561 720689152 /nfs/dbraw/zinc/68/91/52/720689152.db2.gz GCRROVCZTSCPOJ-SJORKVTESA-N 0 3 431.500 1.495 20 0 IDADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738643 720751040 /nfs/dbraw/zinc/75/10/40/720751040.db2.gz GMZLHNCVAPEHKB-NWDGAFQWSA-N 0 3 429.868 1.530 20 0 IDADHN c1ncc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)cn1 ZINC001164746808 720756046 /nfs/dbraw/zinc/75/60/46/720756046.db2.gz YOALODCUIAAUSW-ZWKOTPCHSA-N 0 3 437.552 1.204 20 0 IDADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164740402 720770800 /nfs/dbraw/zinc/77/08/00/720770800.db2.gz KVGVWALHJBDFTB-DLBZAZTESA-N 0 3 446.577 1.680 20 0 IDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164863523 721036587 /nfs/dbraw/zinc/03/65/87/721036587.db2.gz UOLIQFFRSMNEDZ-DEOSSOPVSA-N 0 3 434.544 1.915 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164762027 721196864 /nfs/dbraw/zinc/19/68/64/721196864.db2.gz BYDLQLUCZPKAKE-OALUTQOASA-N 0 3 432.594 1.804 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)C[C@@H]3C2)cn1 ZINC001164771502 721206954 /nfs/dbraw/zinc/20/69/54/721206954.db2.gz QRCPZRINAYZJNM-MOPGFXCFSA-N 0 3 437.548 1.604 20 0 IDADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164891886 721389827 /nfs/dbraw/zinc/38/98/27/721389827.db2.gz RIDZIZUQWWJTCH-AOMKIAJQSA-N 0 3 428.537 1.462 20 0 IDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)C3)O2)CC1 ZINC001164888379 721423196 /nfs/dbraw/zinc/42/31/96/721423196.db2.gz ONFMAVFDBRFULG-HYBUGGRVSA-N 0 3 441.576 1.496 20 0 IDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)C3)O2)CC1 ZINC001164888381 721423895 /nfs/dbraw/zinc/42/38/95/721423895.db2.gz ONFMAVFDBRFULG-RDPSFJRHSA-N 0 3 441.576 1.496 20 0 IDADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898834 721521050 /nfs/dbraw/zinc/52/10/50/721521050.db2.gz JNHSWFKONSVOEQ-NVXWUHKLSA-N 0 3 434.903 1.843 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164906882 721561361 /nfs/dbraw/zinc/56/13/61/721561361.db2.gz LGPONBBACXTCMY-UHOSZYNNSA-N 0 3 426.496 1.412 20 0 IDADHN COC(=O)c1cc2c(ncnc2N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH]1 ZINC001164911426 721772643 /nfs/dbraw/zinc/77/26/43/721772643.db2.gz GPOBTBGNKXIQAH-QFIPXVFZSA-N 0 3 438.488 1.199 20 0 IDADHN COC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C(=O)OC ZINC001164977315 722103882 /nfs/dbraw/zinc/10/38/82/722103882.db2.gz FTPJLYUGVBYIKO-MJGOQNOKSA-N 0 3 440.500 1.777 20 0 IDADHN COC(=O)c1nc2cnccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972456 722126107 /nfs/dbraw/zinc/12/61/07/722126107.db2.gz FQLQFLZEIYBWOT-FXAWDEMLSA-N 0 3 434.500 1.934 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985106 722149562 /nfs/dbraw/zinc/14/95/62/722149562.db2.gz ZIDAEWDSRHUPPC-AABGKKOBSA-N 0 3 437.548 1.053 20 0 IDADHN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CNC1(CO)Cc2ccccc2C1 ZINC000512334103 1126095655 /nfs/dbraw/zinc/09/56/55/1126095655.db2.gz ZRZMUXXWUFQHKA-UHFFFAOYSA-N 0 3 428.558 1.926 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164689579 719747906 /nfs/dbraw/zinc/74/79/06/719747906.db2.gz IILIMXBIAQQSOJ-UHFFFAOYSA-N 0 3 435.594 1.437 20 0 IDADHN CCOC(=O)c1cnc(N2CCC3(CCCN3CC(=O)NC)CC2)cc1C(=O)OCC ZINC001164691120 719758357 /nfs/dbraw/zinc/75/83/57/719758357.db2.gz LYYZTXVHFBMLHZ-UHFFFAOYSA-N 0 3 432.521 1.616 20 0 IDADHN COCc1nn(-c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)c2c1CNC2 ZINC001164714324 720078595 /nfs/dbraw/zinc/07/85/95/720078595.db2.gz VKSFAEUVXROWMV-UHFFFAOYSA-N 0 3 432.528 1.975 20 0 IDADHN COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C2)nc(S(C)(=O)=O)n1 ZINC001164836668 720547858 /nfs/dbraw/zinc/54/78/58/720547858.db2.gz KPKYFWLATVHRHA-IXDOHACOSA-N 0 3 434.566 1.463 20 0 IDADHN c1cc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164743069 720642009 /nfs/dbraw/zinc/64/20/09/720642009.db2.gz OTEWHDZCVPQYPV-JKSUJKDBSA-N 0 3 439.545 1.660 20 0 IDADHN c1cc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164743067 720643170 /nfs/dbraw/zinc/64/31/70/720643170.db2.gz OTEWHDZCVPQYPV-HOTGVXAUSA-N 0 3 439.545 1.660 20 0 IDADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745273 720736135 /nfs/dbraw/zinc/73/61/35/720736135.db2.gz UNSGQQPANJKKKH-IRXDYDNUSA-N 0 3 426.521 1.690 20 0 IDADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164739476 720768573 /nfs/dbraw/zinc/76/85/73/720768573.db2.gz IVBJRFUHZKGTRS-QZTJIDSGSA-N 0 3 446.577 1.680 20 0 IDADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164742885 720768869 /nfs/dbraw/zinc/76/88/69/720768869.db2.gz PEGGIRMLTHAAGU-BZSNNMDCSA-N 0 3 446.577 1.680 20 0 IDADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)c1 ZINC001164751951 720861410 /nfs/dbraw/zinc/86/14/10/720861410.db2.gz RUOOCUSIXNAQTJ-WSTZPKSXSA-N 0 3 430.578 1.846 20 0 IDADHN COC(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C(=O)OC ZINC001164866844 721055909 /nfs/dbraw/zinc/05/59/09/721055909.db2.gz GGWOWBOZFLJWHB-IRXDYDNUSA-N 0 3 426.473 1.530 20 0 IDADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164871397 721070481 /nfs/dbraw/zinc/07/04/81/721070481.db2.gz YMZXORBIRKWXEC-RBUKOAKNSA-N 0 3 437.548 1.156 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C[C@H]3C2)cn1 ZINC001164773344 721196264 /nfs/dbraw/zinc/19/62/64/721196264.db2.gz WJIQNQUVLYEWSQ-VQTJNVASSA-N 0 3 444.605 1.948 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCCC5)cn4)C[C@H]3C2)cn1 ZINC001164768712 721200870 /nfs/dbraw/zinc/20/08/70/721200870.db2.gz LPEHSJUPVWOZMN-RBUKOAKNSA-N 0 3 430.578 1.558 20 0 IDADHN COCCn1ccc2c1ncnc2N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164892909 721416698 /nfs/dbraw/zinc/41/66/98/721416698.db2.gz ZDGZLWQEAMGMOT-WMZHIEFXSA-N 0 3 428.581 1.843 20 0 IDADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898837 721521218 /nfs/dbraw/zinc/52/12/18/721521218.db2.gz JNHSWFKONSVOEQ-WBVHZDCISA-N 0 3 434.903 1.843 20 0 IDADHN COC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C(=O)OC ZINC001164977311 722103646 /nfs/dbraw/zinc/10/36/46/722103646.db2.gz FTPJLYUGVBYIKO-HKUYNNGSSA-N 0 3 440.500 1.777 20 0 IDADHN COC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C(=O)OC ZINC001164977317 722103891 /nfs/dbraw/zinc/10/38/91/722103891.db2.gz FTPJLYUGVBYIKO-PKOBYXMFSA-N 0 3 440.500 1.777 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980326 722140504 /nfs/dbraw/zinc/14/05/04/722140504.db2.gz MUIZPZDHUNNACS-TZIWHRDSSA-N 0 3 445.589 1.891 20 0 IDADHN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCNC(=O)C45CNC5)c23)C1 ZINC001164410573 718879063 /nfs/dbraw/zinc/87/90/63/718879063.db2.gz DGTAUCFRLZTVOT-AWEZNQCLSA-N 0 3 426.590 1.690 20 0 IDADHN COC(=O)c1cc2c(ncnc2N2C[C@H](C)N(C)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164640341 719229142 /nfs/dbraw/zinc/22/91/42/719229142.db2.gz SMWOPSADTYTBQI-GJZGRUSLSA-N 0 3 443.529 1.984 20 0 IDADHN CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164690050 719742766 /nfs/dbraw/zinc/74/27/66/719742766.db2.gz RDSGEFDWXRKTLW-QGZVFWFLSA-N 0 3 437.610 1.729 20 0 IDADHN COCc1nn(-c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)c2c1CNC2 ZINC001164712783 720078872 /nfs/dbraw/zinc/07/88/72/720078872.db2.gz QEFFEFWCFDTRSF-HNNXBMFYSA-N 0 3 442.564 1.816 20 0 IDADHN COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814636 720199054 /nfs/dbraw/zinc/19/90/54/720199054.db2.gz VMOJTXVZDRIQNY-IFXJQAMLSA-N 0 3 426.970 1.645 20 0 IDADHN Cc1nc(N2CCCC2)cc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1 ZINC001164822458 720433216 /nfs/dbraw/zinc/43/32/16/720433216.db2.gz FIUYWANGHKOVGD-LJQANCHMSA-N 0 3 441.580 1.571 20 0 IDADHN O=C(c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1)N1CCS(=O)(=O)CC1 ZINC001164733559 720458799 /nfs/dbraw/zinc/45/87/99/720458799.db2.gz PSWZJNXCALBVMB-VQTJNVASSA-N 0 3 441.557 1.200 20 0 IDADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745274 720736017 /nfs/dbraw/zinc/73/60/17/720736017.db2.gz UNSGQQPANJKKKH-SJORKVTESA-N 0 3 426.521 1.690 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737909 720761317 /nfs/dbraw/zinc/76/13/17/720761317.db2.gz DKZAZAKYHGLEHL-IRXDYDNUSA-N 0 3 432.550 1.244 20 0 IDADHN CC1(C)NC(=O)N(Cc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)C1=O ZINC001164738307 720771484 /nfs/dbraw/zinc/77/14/84/720771484.db2.gz FTQPCMQKUQHJCR-IAGOWNOFSA-N 0 3 437.504 1.044 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164870339 721142708 /nfs/dbraw/zinc/14/27/08/721142708.db2.gz COQSTIFWNUUFKL-VQTJNVASSA-N 0 3 445.589 1.987 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCCC1 ZINC001164878595 721145827 /nfs/dbraw/zinc/14/58/27/721145827.db2.gz QOGKPIXGONZTFC-VQTJNVASSA-N 0 3 443.573 1.741 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164876530 721164483 /nfs/dbraw/zinc/16/44/83/721164483.db2.gz NATAFBLCIKYZAZ-VQTJNVASSA-N 0 3 438.532 1.260 20 0 IDADHN COC(=O)C1CCN(c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)CC1 ZINC001164762010 721169261 /nfs/dbraw/zinc/16/92/61/721169261.db2.gz BUNHPPJNCFLSNR-PMACEKPBSA-N 0 3 439.564 1.558 20 0 IDADHN COC(=O)C1CCN(c2ccnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)n2)CC1 ZINC001164762013 721169712 /nfs/dbraw/zinc/16/97/12/721169712.db2.gz BUNHPPJNCFLSNR-WOJBJXKFSA-N 0 3 439.564 1.558 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164768708 721200453 /nfs/dbraw/zinc/20/04/53/721200453.db2.gz LPEHSJUPVWOZMN-MOPGFXCFSA-N 0 3 430.578 1.558 20 0 IDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)C3)O2)CC1 ZINC001164888376 721423789 /nfs/dbraw/zinc/42/37/89/721423789.db2.gz ONFMAVFDBRFULG-GBXCKJPGSA-N 0 3 441.576 1.496 20 0 IDADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164900975 721524230 /nfs/dbraw/zinc/52/42/30/721524230.db2.gz VIJJSTFQWLXSTB-MJGOQNOKSA-N 0 3 440.523 1.762 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164906884 721560925 /nfs/dbraw/zinc/56/09/25/721560925.db2.gz LGPONBBACXTCMY-WDSOQIARSA-N 0 3 426.496 1.412 20 0 IDADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCNCC2)[C@@H]2CCCO[C@@H]12 ZINC001164801802 721565141 /nfs/dbraw/zinc/56/51/41/721565141.db2.gz HGPUFADMGFYVEB-YPAWHYETSA-N 0 3 436.560 1.390 20 0 IDADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1ncccc1CN1CCCC1)CC2 ZINC001165014080 721765842 /nfs/dbraw/zinc/76/58/42/721765842.db2.gz CQMHXESRTMWXPF-UHFFFAOYSA-N 0 3 434.548 1.600 20 0 IDADHN CN1CCN(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)CC1 ZINC001164958873 722053114 /nfs/dbraw/zinc/05/31/14/722053114.db2.gz HGYZBXXIPWNDQY-UHFFFAOYSA-N 0 3 437.592 1.742 20 0 IDADHN O=C(c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCOCC1 ZINC001164977215 722102103 /nfs/dbraw/zinc/10/21/03/722102103.db2.gz FCRCDUXSUXMUJC-YADHBBJMSA-N 0 3 437.544 1.676 20 0 IDADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983781 722139507 /nfs/dbraw/zinc/13/95/07/722139507.db2.gz UUYGLIVIBGRSSD-QUCCMNQESA-N 0 3 431.562 1.454 20 0 IDADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983782 722139702 /nfs/dbraw/zinc/13/97/02/722139702.db2.gz UUYGLIVIBGRSSD-UYAOXDASSA-N 0 3 431.562 1.454 20 0 IDADHN CCNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164984637 722140680 /nfs/dbraw/zinc/14/06/80/722140680.db2.gz YDBXFDPCKZCBNZ-QUCCMNQESA-N 0 3 431.562 1.502 20 0 IDADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)C(=O)N(CCOC)CCN4C)[nH]cc1-2 ZINC001164639144 719279207 /nfs/dbraw/zinc/27/92/07/719279207.db2.gz IGNVPILEUSDVKW-UHFFFAOYSA-N 0 3 429.521 1.499 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)CC2 ZINC001164686618 719731721 /nfs/dbraw/zinc/73/17/21/719731721.db2.gz QFSXAQIGISEEAX-UHFFFAOYSA-N 0 3 430.553 1.047 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164689610 719740299 /nfs/dbraw/zinc/74/02/99/719740299.db2.gz JDUCQGVYUXKZNT-UHFFFAOYSA-N 0 3 435.594 1.437 20 0 IDADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164689822 719742683 /nfs/dbraw/zinc/74/26/83/719742683.db2.gz KMVZOKSGXQSNAJ-UHFFFAOYSA-N 0 3 437.610 1.729 20 0 IDADHN CN(C)Cc1ccnc(N2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001164817607 720274355 /nfs/dbraw/zinc/27/43/55/720274355.db2.gz DWVUEJXYCJEVTM-PGRDOPGGSA-N 0 3 426.521 1.118 20 0 IDADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1n[nH]c(Cl)c3ncnc1-3)C2 ZINC001164832648 720460317 /nfs/dbraw/zinc/46/03/17/720460317.db2.gz UUNKOZBGKUHSOD-ZDUSSCGKSA-N 0 3 432.916 1.192 20 0 IDADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c3)cc21 ZINC001164737558 720688194 /nfs/dbraw/zinc/68/81/94/720688194.db2.gz GCRROVCZTSCPOJ-DLBZAZTESA-N 0 3 431.500 1.495 20 0 IDADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745271 720737668 /nfs/dbraw/zinc/73/76/68/720737668.db2.gz UNSGQQPANJKKKH-DLBZAZTESA-N 0 3 426.521 1.690 20 0 IDADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164740405 720770386 /nfs/dbraw/zinc/77/03/86/720770386.db2.gz KVGVWALHJBDFTB-SJORKVTESA-N 0 3 446.577 1.680 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)cc2C1 ZINC001164879434 721146164 /nfs/dbraw/zinc/14/61/64/721146164.db2.gz SFFWPXNCTQJKOA-VQTJNVASSA-N 0 3 438.532 1.866 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164767636 721195335 /nfs/dbraw/zinc/19/53/35/721195335.db2.gz KHFPHHQSQNVKFW-PMACEKPBSA-N 0 3 437.596 1.764 20 0 IDADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164891888 721389852 /nfs/dbraw/zinc/38/98/52/721389852.db2.gz RIDZIZUQWWJTCH-OPAMFIHVSA-N 0 3 428.537 1.462 20 0 IDADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164900973 721524628 /nfs/dbraw/zinc/52/46/28/721524628.db2.gz VIJJSTFQWLXSTB-HKUYNNGSSA-N 0 3 440.523 1.762 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164906528 721559321 /nfs/dbraw/zinc/55/93/21/721559321.db2.gz JTZAJSAMGQDABO-ICSRJNTNSA-N 0 3 441.507 1.866 20 0 IDADHN CN1CCN(c2cccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164916653 721788699 /nfs/dbraw/zinc/78/86/99/721788699.db2.gz RTMRUVZHINAXDJ-XMMPIXPASA-N 0 3 438.576 1.336 20 0 IDADHN Clc1cc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c2c(n1)CNCC2 ZINC001164915624 721792547 /nfs/dbraw/zinc/79/25/47/721792547.db2.gz MBXWIPDBDRPAGW-QFIPXVFZSA-N 0 3 429.952 1.884 20 0 IDADHN COC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981101 722109717 /nfs/dbraw/zinc/10/97/17/722109717.db2.gz SODRAUXZVLNJBR-WMZOPIPTSA-N 0 3 431.924 1.968 20 0 IDADHN COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981098 722109738 /nfs/dbraw/zinc/10/97/38/722109738.db2.gz SODRAUXZVLNJBR-AEFFLSMTSA-N 0 3 431.924 1.968 20 0 IDADHN CN1c2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979842 722120363 /nfs/dbraw/zinc/12/03/63/722120363.db2.gz QIUMQURIMSXUIH-ZJOUEHCJSA-N 0 3 449.559 1.544 20 0 IDADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983780 722139789 /nfs/dbraw/zinc/13/97/89/722139789.db2.gz UUYGLIVIBGRSSD-ICSRJNTNSA-N 0 3 431.562 1.454 20 0 IDADHN COC(=O)CSc1cncc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977082 722147466 /nfs/dbraw/zinc/14/74/66/722147466.db2.gz IPMGNHJELTYMCQ-ZWKOTPCHSA-N 0 3 429.546 1.864 20 0 IDADHN O=C1NCCN(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)C12CNC2 ZINC001164413810 718879273 /nfs/dbraw/zinc/87/92/73/718879273.db2.gz NRFFTRMAVOLPOE-UHFFFAOYSA-N 0 3 425.823 1.412 20 0 IDADHN CN1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3CN3CC[C@@H](CO)C3)C[C@H]21 ZINC001164667406 719418005 /nfs/dbraw/zinc/41/80/05/719418005.db2.gz FNRFENGMFUWKJP-NSISKUIASA-N 0 3 431.581 1.400 20 0 IDADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)c2c1CCNC2 ZINC001164680620 719634592 /nfs/dbraw/zinc/63/45/92/719634592.db2.gz YTNZICFJYCTEEU-UHFFFAOYSA-N 0 3 448.927 1.662 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164690090 719742269 /nfs/dbraw/zinc/74/22/69/719742269.db2.gz SHBWXQJRPXKRBD-UHFFFAOYSA-N 0 3 428.537 1.093 20 0 IDADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164690049 719742891 /nfs/dbraw/zinc/74/28/91/719742891.db2.gz RDSGEFDWXRKTLW-KRWDZBQOSA-N 0 3 437.610 1.729 20 0 IDADHN CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CCCN4CC(=O)NC)CC3)nn2)C1 ZINC001164689338 719743179 /nfs/dbraw/zinc/74/31/79/719743179.db2.gz BMUUNLJCBXEFAC-SFHVURJKSA-N 0 3 444.580 1.437 20 0 IDADHN CCOC(=O)c1ccnc(N2CCC3(CCCN3CC(=O)NC)CC2)c1C(=O)OCC ZINC001164691707 719758648 /nfs/dbraw/zinc/75/86/48/719758648.db2.gz QHJPBVKKYXGOIO-UHFFFAOYSA-N 0 3 432.521 1.616 20 0 IDADHN COCc1nn(-c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)c2c1CNC2 ZINC001164712784 720078674 /nfs/dbraw/zinc/07/86/74/720078674.db2.gz QEFFEFWCFDTRSF-OAHLLOKOSA-N 0 3 442.564 1.816 20 0 IDADHN CN(C)Cc1ccnc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001164817606 720275242 /nfs/dbraw/zinc/27/52/42/720275242.db2.gz DWVUEJXYCJEVTM-GCJKJVERSA-N 0 3 426.521 1.118 20 0 IDADHN Cc1nc(CN2CCN(C)C3(CCN(c4cc5c(nn4)CCNC5)CC3)C2=O)cs1 ZINC001164819752 720374796 /nfs/dbraw/zinc/37/47/96/720374796.db2.gz IFCCTKYNQYISTC-UHFFFAOYSA-N 0 3 427.578 1.200 20 0 IDADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)[C@@H]2C ZINC001164858028 720995307 /nfs/dbraw/zinc/99/53/07/720995307.db2.gz GIMFNRKBYZELBU-MRXNPFEDSA-N 0 3 426.569 1.534 20 0 IDADHN COC(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C(=O)OC ZINC001164866843 721056225 /nfs/dbraw/zinc/05/62/25/721056225.db2.gz GGWOWBOZFLJWHB-IAGOWNOFSA-N 0 3 426.473 1.530 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCCC1 ZINC001164878594 721144320 /nfs/dbraw/zinc/14/43/20/721144320.db2.gz QOGKPIXGONZTFC-UXHICEINSA-N 0 3 443.573 1.741 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cc2C1 ZINC001164879432 721147532 /nfs/dbraw/zinc/14/75/32/721147532.db2.gz SFFWPXNCTQJKOA-PMACEKPBSA-N 0 3 438.532 1.866 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164767639 721194601 /nfs/dbraw/zinc/19/46/01/721194601.db2.gz KHFPHHQSQNVKFW-UXHICEINSA-N 0 3 437.596 1.764 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773342 721197444 /nfs/dbraw/zinc/19/74/44/721197444.db2.gz WJIQNQUVLYEWSQ-PMACEKPBSA-N 0 3 444.605 1.948 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164762026 721197582 /nfs/dbraw/zinc/19/75/82/721197582.db2.gz BYDLQLUCZPKAKE-MOPGFXCFSA-N 0 3 432.594 1.804 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCCC5)cn4)C[C@H]3C2)cn1 ZINC001164768718 721200836 /nfs/dbraw/zinc/20/08/36/721200836.db2.gz LPEHSJUPVWOZMN-RTBURBONSA-N 0 3 430.578 1.558 20 0 IDADHN CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)nc2[nH]1 ZINC001164872352 721278302 /nfs/dbraw/zinc/27/83/02/721278302.db2.gz CACCEZNUIPDKGU-UHFFFAOYSA-N 0 3 443.548 1.747 20 0 IDADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164891889 721389704 /nfs/dbraw/zinc/38/97/04/721389704.db2.gz RIDZIZUQWWJTCH-ZHRRBRCNSA-N 0 3 428.537 1.462 20 0 IDADHN CCc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(N2CCOCC2)n1 ZINC001164886657 721423759 /nfs/dbraw/zinc/42/37/59/721423759.db2.gz KJBLNRFNAUQVGP-ZJSXRUAMSA-N 0 3 444.624 1.641 20 0 IDADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164900974 721524553 /nfs/dbraw/zinc/52/45/53/721524553.db2.gz VIJJSTFQWLXSTB-IEBWSBKVSA-N 0 3 440.523 1.762 20 0 IDADHN COC(=O)c1nc2cnccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972459 722126695 /nfs/dbraw/zinc/12/66/95/722126695.db2.gz FQLQFLZEIYBWOT-PXNSSMCTSA-N 0 3 434.500 1.934 20 0 IDADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983779 722140180 /nfs/dbraw/zinc/14/01/80/722140180.db2.gz UUYGLIVIBGRSSD-AZUAARDMSA-N 0 3 431.562 1.454 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980324 722140969 /nfs/dbraw/zinc/14/09/69/722140969.db2.gz MUIZPZDHUNNACS-PZJWPPBQSA-N 0 3 445.589 1.891 20 0 IDADHN CCNS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164984636 722141028 /nfs/dbraw/zinc/14/10/28/722141028.db2.gz YDBXFDPCKZCBNZ-ICSRJNTNSA-N 0 3 431.562 1.502 20 0 IDADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164685632 719725979 /nfs/dbraw/zinc/72/59/79/719725979.db2.gz MSQZKQKHCYXYQB-UHFFFAOYSA-N 0 3 449.943 1.224 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1nccnc1N1CCC(C(=O)OC)CC1)CC2 ZINC001164685626 719728674 /nfs/dbraw/zinc/72/86/74/719728674.db2.gz MSLAYZMPMVHZEJ-UHFFFAOYSA-N 0 3 430.553 1.047 20 0 IDADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncccc1CN1CCCC1)C2 ZINC001164831480 720481054 /nfs/dbraw/zinc/48/10/54/720481054.db2.gz GOSPIESYIXULCX-OAQYLSRUSA-N 0 3 440.592 1.864 20 0 IDADHN c1cc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164743065 720640788 /nfs/dbraw/zinc/64/07/88/720640788.db2.gz OTEWHDZCVPQYPV-CVEARBPZSA-N 0 3 439.545 1.660 20 0 IDADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3)cc21 ZINC001164737559 720687200 /nfs/dbraw/zinc/68/72/00/720687200.db2.gz GCRROVCZTSCPOJ-IAGOWNOFSA-N 0 3 431.500 1.495 20 0 IDADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3)cc21 ZINC001164737560 720688129 /nfs/dbraw/zinc/68/81/29/720688129.db2.gz GCRROVCZTSCPOJ-IRXDYDNUSA-N 0 3 431.500 1.495 20 0 IDADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164742887 720768936 /nfs/dbraw/zinc/76/89/36/720768936.db2.gz PEGGIRMLTHAAGU-KSZLIROESA-N 0 3 446.577 1.680 20 0 IDADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164739477 720769650 /nfs/dbraw/zinc/76/96/50/720769650.db2.gz IVBJRFUHZKGTRS-ROUUACIJSA-N 0 3 446.577 1.680 20 0 IDADHN CC1(C)NC(=O)N(Cc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)C1=O ZINC001164738313 720771285 /nfs/dbraw/zinc/77/12/85/720771285.db2.gz FTQPCMQKUQHJCR-SJORKVTESA-N 0 3 437.504 1.044 20 0 IDADHN CN1c2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164866314 721092975 /nfs/dbraw/zinc/09/29/75/721092975.db2.gz SDEGOBFIRLJCLJ-FHWLQOOXSA-N 0 3 435.532 1.297 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164870341 721142359 /nfs/dbraw/zinc/14/23/59/721142359.db2.gz COQSTIFWNUUFKL-WOJBJXKFSA-N 0 3 445.589 1.987 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)C[C@H]3C2)cn1 ZINC001164771505 721207086 /nfs/dbraw/zinc/20/70/86/721207086.db2.gz QRCPZRINAYZJNM-RTBURBONSA-N 0 3 437.548 1.604 20 0 IDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)C3)O2)CC1 ZINC001164888384 721423204 /nfs/dbraw/zinc/42/32/04/721423204.db2.gz ONFMAVFDBRFULG-YKSBVNFPSA-N 0 3 441.576 1.496 20 0 IDADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164900976 721524437 /nfs/dbraw/zinc/52/44/37/721524437.db2.gz VIJJSTFQWLXSTB-PKOBYXMFSA-N 0 3 440.523 1.762 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164906878 721561235 /nfs/dbraw/zinc/56/12/35/721561235.db2.gz LGPONBBACXTCMY-NEWSRXKRSA-N 0 3 426.496 1.412 20 0 IDADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCNCC2)[C@H]2CCCO[C@@H]12 ZINC001164801796 721565829 /nfs/dbraw/zinc/56/58/29/721565829.db2.gz HGPUFADMGFYVEB-BHDDXSALSA-N 0 3 436.560 1.390 20 0 IDADHN COC(=O)c1c[nH]c2ncnc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c12 ZINC001164914099 721787152 /nfs/dbraw/zinc/78/71/52/721787152.db2.gz BMFJAUJTVBSFPX-QFIPXVFZSA-N 0 3 438.488 1.247 20 0 IDADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001164933502 721903391 /nfs/dbraw/zinc/90/33/91/721903391.db2.gz NHUQNGPJOVAHKD-UHFFFAOYSA-N 0 3 425.493 1.301 20 0 IDADHN O=C(c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCOCC1 ZINC001164977213 722102281 /nfs/dbraw/zinc/10/22/81/722102281.db2.gz FCRCDUXSUXMUJC-VXKWHMMOSA-N 0 3 437.544 1.676 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980321 722140424 /nfs/dbraw/zinc/14/04/24/722140424.db2.gz MUIZPZDHUNNACS-CTNGQTDRSA-N 0 3 445.589 1.891 20 0 IDADHN CN1CCc2nc(Cl)nc(-n3c([C@@H]4COCCN4)nccc3=NCc3ccco3)c2C1 ZINC001164986906 722173439 /nfs/dbraw/zinc/17/34/39/722173439.db2.gz LZSLJHVWGKDGBI-KRWDZBQOSA-N 0 3 441.923 1.658 20 0 IDADHN O=C(NC[C@@H]1Cn2ccnc2CN(c2ccc(CN3CCCC3)cn2)C1)c1ccnnc1 ZINC001165002723 722241907 /nfs/dbraw/zinc/24/19/07/722241907.db2.gz FMTDRDIBODNHCY-LJQANCHMSA-N 0 3 432.532 1.730 20 0 IDADHN COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(C)C)CC2)CN1 ZINC001164654362 719333240 /nfs/dbraw/zinc/33/32/40/719333240.db2.gz OFYVMBFUTTZDNN-XLIONFOSSA-N 0 3 443.548 1.699 20 0 IDADHN COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(C)C)CC2)CN1 ZINC001164654358 719333594 /nfs/dbraw/zinc/33/35/94/719333594.db2.gz OFYVMBFUTTZDNN-FXAWDEMLSA-N 0 3 443.548 1.699 20 0 IDADHN CN1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3CN3CC[C@H](CO)C3)C[C@H]21 ZINC001164667407 719419893 /nfs/dbraw/zinc/41/98/93/719419893.db2.gz FNRFENGMFUWKJP-PWIZWCRZSA-N 0 3 431.581 1.400 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164690564 719758996 /nfs/dbraw/zinc/75/89/96/719758996.db2.gz DXRPICFNMWPTEL-UHFFFAOYSA-N 0 3 443.379 1.801 20 0 IDADHN CN(C)Cc1ccnc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)c1 ZINC001164711251 720162339 /nfs/dbraw/zinc/16/23/39/720162339.db2.gz AHFBFEHLPVZZKZ-QHCPKHFHSA-N 0 3 428.581 1.576 20 0 IDADHN O=C(c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1)N1CCS(=O)(=O)CC1 ZINC001164733556 720457418 /nfs/dbraw/zinc/45/74/18/720457418.db2.gz PSWZJNXCALBVMB-UXHICEINSA-N 0 3 441.557 1.200 20 0 IDADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1C ZINC001164744027 720751007 /nfs/dbraw/zinc/75/10/07/720751007.db2.gz QTMOIZCVPKMMPI-QWHCGFSZSA-N 0 3 443.895 1.540 20 0 IDADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1C ZINC001164744022 720752489 /nfs/dbraw/zinc/75/24/89/720752489.db2.gz QTMOIZCVPKMMPI-OLZOCXBDSA-N 0 3 443.895 1.540 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737905 720760260 /nfs/dbraw/zinc/76/02/60/720760260.db2.gz DKZAZAKYHGLEHL-DLBZAZTESA-N 0 3 432.550 1.244 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc2C1 ZINC001164739471 720767894 /nfs/dbraw/zinc/76/78/94/720767894.db2.gz IUEJWGFDDDEVGE-IAGOWNOFSA-N 0 3 425.493 1.123 20 0 IDADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)c1 ZINC001164751948 720861374 /nfs/dbraw/zinc/86/13/74/720861374.db2.gz RUOOCUSIXNAQTJ-QWFCFKBJSA-N 0 3 430.578 1.846 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164870332 721141334 /nfs/dbraw/zinc/14/13/34/721141334.db2.gz COQSTIFWNUUFKL-PMACEKPBSA-N 0 3 445.589 1.987 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCCC1 ZINC001164878590 721144267 /nfs/dbraw/zinc/14/42/67/721144267.db2.gz QOGKPIXGONZTFC-PMACEKPBSA-N 0 3 443.573 1.741 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164876532 721165344 /nfs/dbraw/zinc/16/53/44/721165344.db2.gz NATAFBLCIKYZAZ-WOJBJXKFSA-N 0 3 438.532 1.260 20 0 IDADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)[nH]cc1-2 ZINC001164875586 721284274 /nfs/dbraw/zinc/28/42/74/721284274.db2.gz XKQWVGNQWCBVFT-UHFFFAOYSA-N 0 3 443.548 1.747 20 0 IDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCSCC5)ncn4)C3)O2)CC1 ZINC001164898481 721443405 /nfs/dbraw/zinc/44/34/05/721443405.db2.gz VZPRSHNKDBLTSJ-UGKGYDQZSA-N 0 3 432.638 1.795 20 0 IDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(N5CCSCC5)ncn4)C3)O2)CC1 ZINC001164898473 721443811 /nfs/dbraw/zinc/44/38/11/721443811.db2.gz VZPRSHNKDBLTSJ-KNQAVFIVSA-N 0 3 432.638 1.795 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164906525 721559232 /nfs/dbraw/zinc/55/92/32/721559232.db2.gz JTZAJSAMGQDABO-AZUAARDMSA-N 0 3 441.507 1.866 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164906880 721560716 /nfs/dbraw/zinc/56/07/16/721560716.db2.gz LGPONBBACXTCMY-QRQLOZEOSA-N 0 3 426.496 1.412 20 0 IDADHN Cc1nc2c(nc(Cl)nc2N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH]1 ZINC001164913016 721777390 /nfs/dbraw/zinc/77/73/90/721777390.db2.gz SZEMWBXOXQPORK-FQEVSTJZSA-N 0 3 429.912 1.818 20 0 IDADHN O=S(=O)(NC1CC1)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972837 722143021 /nfs/dbraw/zinc/14/30/21/722143021.db2.gz AXIWHFDEDXLING-RXVVDRJESA-N 0 3 443.573 1.645 20 0 IDADHN O=S(=O)(NC1CC1)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972839 722143084 /nfs/dbraw/zinc/14/30/84/722143084.db2.gz AXIWHFDEDXLING-WIYYLYMNSA-N 0 3 443.573 1.645 20 0 IDADHN CN(Cc1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1)C1CC1 ZINC001165005101 722241705 /nfs/dbraw/zinc/24/17/05/722241705.db2.gz RMRNTFTZRDXGMP-GOSISDBHSA-N 0 3 432.532 1.729 20 0 IDADHN COC(=O)c1cc2c(ncnc2N2C[C@@H](C)N(C)C[C@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164640343 719229004 /nfs/dbraw/zinc/22/90/04/719229004.db2.gz SMWOPSADTYTBQI-HUUCEWRRSA-N 0 3 443.529 1.984 20 0 IDADHN O=C(c1nn(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2c1CNC2)N1CCOCC1 ZINC001164818563 720248209 /nfs/dbraw/zinc/24/82/09/720248209.db2.gz ZLOCIGOYEHSNSR-UHFFFAOYSA-N 0 3 444.539 1.901 20 0 IDADHN O=C(c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1)N1CCS(=O)(=O)CC1 ZINC001164733553 720458818 /nfs/dbraw/zinc/45/88/18/720458818.db2.gz PSWZJNXCALBVMB-PMACEKPBSA-N 0 3 441.557 1.200 20 0 IDADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1C ZINC001164744017 720752788 /nfs/dbraw/zinc/75/27/88/720752788.db2.gz QTMOIZCVPKMMPI-CHWSQXEVSA-N 0 3 443.895 1.540 20 0 IDADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164742889 720769660 /nfs/dbraw/zinc/76/96/60/720769660.db2.gz PEGGIRMLTHAAGU-RCCFBDPRSA-N 0 3 446.577 1.680 20 0 IDADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)[C@H]2C ZINC001164858026 720995939 /nfs/dbraw/zinc/99/59/39/720995939.db2.gz GIMFNRKBYZELBU-INIZCTEOSA-N 0 3 426.569 1.534 20 0 IDADHN COC(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C(=O)OC ZINC001164866845 721055511 /nfs/dbraw/zinc/05/55/11/721055511.db2.gz GGWOWBOZFLJWHB-SJORKVTESA-N 0 3 426.473 1.530 20 0 IDADHN CN1c2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164866316 721093271 /nfs/dbraw/zinc/09/32/71/721093271.db2.gz SDEGOBFIRLJCLJ-QRVBRYPASA-N 0 3 435.532 1.297 20 0 IDADHN CN1c2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164866315 721093674 /nfs/dbraw/zinc/09/36/74/721093674.db2.gz SDEGOBFIRLJCLJ-OTWHNJEPSA-N 0 3 435.532 1.297 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cc2C1 ZINC001164879433 721146376 /nfs/dbraw/zinc/14/63/76/721146376.db2.gz SFFWPXNCTQJKOA-UXHICEINSA-N 0 3 438.532 1.866 20 0 IDADHN COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)CC1 ZINC001164762555 721160030 /nfs/dbraw/zinc/16/00/30/721160030.db2.gz CTXGPTPWTYDZOJ-PMACEKPBSA-N 0 3 439.564 1.558 20 0 IDADHN COC(=O)C1CCN(c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)CC1 ZINC001164762568 721160475 /nfs/dbraw/zinc/16/04/75/721160475.db2.gz CTXGPTPWTYDZOJ-WOJBJXKFSA-N 0 3 439.564 1.558 20 0 IDADHN COC(=O)C1CCN(c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)CC1 ZINC001164762559 721160844 /nfs/dbraw/zinc/16/08/44/721160844.db2.gz CTXGPTPWTYDZOJ-UXHICEINSA-N 0 3 439.564 1.558 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C[C@H]3C2)cn1 ZINC001164773345 721199100 /nfs/dbraw/zinc/19/91/00/721199100.db2.gz WJIQNQUVLYEWSQ-WOJBJXKFSA-N 0 3 444.605 1.948 20 0 IDADHN CCOC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164870271 721266891 /nfs/dbraw/zinc/26/68/91/721266891.db2.gz VBMRYWJLODGSTO-UHFFFAOYSA-N 0 3 444.536 1.142 20 0 IDADHN CCOC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164870271 721266892 /nfs/dbraw/zinc/26/68/92/721266892.db2.gz VBMRYWJLODGSTO-UHFFFAOYSA-N 0 3 444.536 1.142 20 0 IDADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)c12 ZINC001164870271 721266895 /nfs/dbraw/zinc/26/68/95/721266895.db2.gz VBMRYWJLODGSTO-UHFFFAOYSA-N 0 3 444.536 1.142 20 0 IDADHN C[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2N1C ZINC001164887288 721414022 /nfs/dbraw/zinc/41/40/22/721414022.db2.gz LVMZRILVISDADU-HYFFOGBASA-N 0 3 429.569 1.019 20 0 IDADHN C[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2N1C ZINC001164887285 721414245 /nfs/dbraw/zinc/41/42/45/721414245.db2.gz LVMZRILVISDADU-DRSNIGMVSA-N 0 3 429.569 1.019 20 0 IDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(N5CCSCC5)ncn4)C3)O2)CC1 ZINC001164898479 721443790 /nfs/dbraw/zinc/44/37/90/721443790.db2.gz VZPRSHNKDBLTSJ-SIKLNZKXSA-N 0 3 432.638 1.795 20 0 IDADHN CN1CCN(c2cccc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)n2)CC1 ZINC001164948126 721976172 /nfs/dbraw/zinc/97/61/72/721976172.db2.gz TXOUGVRNCCLLQM-UHFFFAOYSA-N 0 3 434.588 1.804 20 0 IDADHN O=C1CCC(=O)N1Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979625 722129748 /nfs/dbraw/zinc/12/97/48/722129748.db2.gz LOQKDELDLOXAJJ-SFTDATJTSA-N 0 3 435.528 1.853 20 0 IDADHN CCNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164984638 722140857 /nfs/dbraw/zinc/14/08/57/722140857.db2.gz YDBXFDPCKZCBNZ-UYAOXDASSA-N 0 3 431.562 1.502 20 0 IDADHN COC(=O)CSc1cncc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977080 722147188 /nfs/dbraw/zinc/14/71/88/722147188.db2.gz IPMGNHJELTYMCQ-QZTJIDSGSA-N 0 3 429.546 1.864 20 0 IDADHN CN1CCc2nc(Cl)nc(-n3c([C@H]4COCCN4)nccc3=NCc3ccco3)c2C1 ZINC001164986908 722173514 /nfs/dbraw/zinc/17/35/14/722173514.db2.gz LZSLJHVWGKDGBI-QGZVFWFLSA-N 0 3 441.923 1.658 20 0 IDADHN O=C(NC[C@H]1Cn2ccnc2CN(c2ccc(CN3CCCC3)cn2)C1)c1ccnnc1 ZINC001165002718 722241816 /nfs/dbraw/zinc/24/18/16/722241816.db2.gz FMTDRDIBODNHCY-IBGZPJMESA-N 0 3 432.532 1.730 20 0 IDADHN CN(Cc1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1)C1CC1 ZINC001164639623 719259431 /nfs/dbraw/zinc/25/94/31/719259431.db2.gz QOFBWTPJDMTKPY-UHFFFAOYSA-N 0 3 439.564 1.817 20 0 IDADHN CCOC(=O)C1CCN(c2ccc(N3CCC4(CCCN4CC(=O)NC)CC3)nn2)CC1 ZINC001164687528 719728604 /nfs/dbraw/zinc/72/86/04/719728604.db2.gz YZIGMJUBXPHBGV-UHFFFAOYSA-N 0 3 444.580 1.437 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)CC2 ZINC001164689531 719741459 /nfs/dbraw/zinc/74/14/59/719741459.db2.gz GNLVNYFWKGTFIW-UHFFFAOYSA-N 0 3 449.603 1.984 20 0 IDADHN COC[C@H]1CN(CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814638 720198680 /nfs/dbraw/zinc/19/86/80/720198680.db2.gz VMOJTXVZDRIQNY-KUHUBIRLSA-N 0 3 426.970 1.645 20 0 IDADHN COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)N3C(C)C)C2)nc(S(C)(=O)=O)n1 ZINC001164836667 720545971 /nfs/dbraw/zinc/54/59/71/720545971.db2.gz KPKYFWLATVHRHA-GVDBMIGSSA-N 0 3 434.566 1.463 20 0 IDADHN c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)cn1 ZINC001164746803 720756671 /nfs/dbraw/zinc/75/66/71/720756671.db2.gz YOALODCUIAAUSW-QZTJIDSGSA-N 0 3 437.552 1.204 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164742881 720759672 /nfs/dbraw/zinc/75/96/72/720759672.db2.gz OYJUQFOSTZFAEN-ROUUACIJSA-N 0 3 444.561 1.388 20 0 IDADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)c1 ZINC001164751942 720861367 /nfs/dbraw/zinc/86/13/67/720861367.db2.gz RUOOCUSIXNAQTJ-CMKODMSKSA-N 0 3 430.578 1.846 20 0 IDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164861602 721037438 /nfs/dbraw/zinc/03/74/38/721037438.db2.gz IUERTNBBIUKBGE-DEOSSOPVSA-N 0 3 434.544 1.917 20 0 IDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ncccc1CN1CCCC1)C2 ZINC001164861611 721037485 /nfs/dbraw/zinc/03/74/85/721037485.db2.gz IUERTNBBIUKBGE-XMMPIXPASA-N 0 3 434.544 1.917 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164872571 721141804 /nfs/dbraw/zinc/14/18/04/721141804.db2.gz HQONAOFCUJJXFA-RBUKOAKNSA-N 0 3 431.562 1.643 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)cc2C1 ZINC001164879435 721147535 /nfs/dbraw/zinc/14/75/35/721147535.db2.gz SFFWPXNCTQJKOA-WOJBJXKFSA-N 0 3 438.532 1.866 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164876526 721165177 /nfs/dbraw/zinc/16/51/77/721165177.db2.gz NATAFBLCIKYZAZ-PMACEKPBSA-N 0 3 438.532 1.260 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164767645 721195415 /nfs/dbraw/zinc/19/54/15/721195415.db2.gz KHFPHHQSQNVKFW-WOJBJXKFSA-N 0 3 437.596 1.764 20 0 IDADHN C[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2N1C ZINC001164887290 721414806 /nfs/dbraw/zinc/41/48/06/721414806.db2.gz LVMZRILVISDADU-JLHGSKIFSA-N 0 3 429.569 1.019 20 0 IDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(N5CCSCC5)ncn4)C3)O2)CC1 ZINC001164898456 721443594 /nfs/dbraw/zinc/44/35/94/721443594.db2.gz VZPRSHNKDBLTSJ-DENIHFKCSA-N 0 3 432.638 1.795 20 0 IDADHN CN(C)C(=O)CN1CCC2(CCCN2c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC001165011508 721743926 /nfs/dbraw/zinc/74/39/26/721743926.db2.gz YFIBIVMQOSWNDR-UHFFFAOYSA-N 0 3 442.612 1.595 20 0 IDADHN COC(OC)c1c(CO)ccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975155 722133652 /nfs/dbraw/zinc/13/36/52/722133652.db2.gz DXMRRTLQZJPTOQ-ICSRJNTNSA-N 0 3 428.533 1.988 20 0 IDADHN O=C(NC[C@@H]1Cn2ccnc2CN(c2ncccc2CN2CCCC2)C1)c1ccnnc1 ZINC001165002817 722241791 /nfs/dbraw/zinc/24/17/91/722241791.db2.gz GRNKJJPTBIGARZ-GOSISDBHSA-N 0 3 432.532 1.730 20 0 IDADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389294 718824434 /nfs/dbraw/zinc/82/44/34/718824434.db2.gz HCSBEPNZHSRGSJ-IRXDYDNUSA-N 0 3 429.590 1.969 20 0 IDADHN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCNC(=O)C45CNC5)c23)C1 ZINC001164410574 718879100 /nfs/dbraw/zinc/87/91/00/718879100.db2.gz DGTAUCFRLZTVOT-CQSZACIVSA-N 0 3 426.590 1.690 20 0 IDADHN CN1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3CN3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417664 /nfs/dbraw/zinc/41/76/64/719417664.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 0 3 431.581 1.400 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164681992 719704786 /nfs/dbraw/zinc/70/47/86/719704786.db2.gz AXPHSAXKBSXQQI-UHFFFAOYSA-N 0 3 430.578 1.709 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164689515 719739016 /nfs/dbraw/zinc/73/90/16/719739016.db2.gz GANKPBQKDFAQDI-UHFFFAOYSA-N 0 3 428.585 1.253 20 0 IDADHN COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814634 720199090 /nfs/dbraw/zinc/19/90/90/720199090.db2.gz VMOJTXVZDRIQNY-AUUYWEPGSA-N 0 3 426.970 1.645 20 0 IDADHN Cc1nc(CN2CCN(C)C3(CCN(c4cc(N(C)C)nc(C)n4)CC3)C2=O)cs1 ZINC001164824813 720360359 /nfs/dbraw/zinc/36/03/59/720360359.db2.gz MQVUDUBGWHAGDS-UHFFFAOYSA-N 0 3 429.594 1.929 20 0 IDADHN Cc1nc(N2CCCC2)cc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)n1 ZINC001164822457 720433618 /nfs/dbraw/zinc/43/36/18/720433618.db2.gz FIUYWANGHKOVGD-IBGZPJMESA-N 0 3 441.580 1.571 20 0 IDADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164829320 720468389 /nfs/dbraw/zinc/46/83/89/720468389.db2.gz FPSFLSHWKPMRAL-INIZCTEOSA-N 0 3 446.983 1.567 20 0 IDADHN CN(Cc1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1)C1CC1 ZINC001164831179 720473325 /nfs/dbraw/zinc/47/33/25/720473325.db2.gz NFQZVSGNYCSNCD-HXUWFJFHSA-N 0 3 440.592 1.862 20 0 IDADHN c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741980 720692072 /nfs/dbraw/zinc/69/20/72/720692072.db2.gz UWVJYQXDSYHWTI-ROUUACIJSA-N 0 3 433.516 1.598 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737907 720760467 /nfs/dbraw/zinc/76/04/67/720760467.db2.gz DKZAZAKYHGLEHL-IAGOWNOFSA-N 0 3 432.550 1.244 20 0 IDADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164742888 720768584 /nfs/dbraw/zinc/76/85/84/720768584.db2.gz PEGGIRMLTHAAGU-OKZBNKHCSA-N 0 3 446.577 1.680 20 0 IDADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164871399 721069977 /nfs/dbraw/zinc/06/99/77/721069977.db2.gz YMZXORBIRKWXEC-RTBURBONSA-N 0 3 437.548 1.156 20 0 IDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773343 721196895 /nfs/dbraw/zinc/19/68/95/721196895.db2.gz WJIQNQUVLYEWSQ-UXHICEINSA-N 0 3 444.605 1.948 20 0 IDADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCNCC2)[C@@H]2CCCO[C@H]12 ZINC001164801799 721564951 /nfs/dbraw/zinc/56/49/51/721564951.db2.gz HGPUFADMGFYVEB-VSKRKVRLSA-N 0 3 436.560 1.390 20 0 IDADHN CN1CCN(c2nccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)CC1 ZINC001164961763 722061001 /nfs/dbraw/zinc/06/10/01/722061001.db2.gz PBHCHTKTDQJSDK-UHFFFAOYSA-N 0 3 437.592 1.742 20 0 IDADHN CN1c2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979840 722120944 /nfs/dbraw/zinc/12/09/44/722120944.db2.gz QIUMQURIMSXUIH-SVFBPWRDSA-N 0 3 449.559 1.544 20 0 IDADHN COC(=O)c1nc2cnccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972465 722126616 /nfs/dbraw/zinc/12/66/16/722126616.db2.gz FQLQFLZEIYBWOT-YLJYHZDGSA-N 0 3 434.500 1.934 20 0 IDADHN COC(OC)c1c(CO)ccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975156 722133448 /nfs/dbraw/zinc/13/34/48/722133448.db2.gz DXMRRTLQZJPTOQ-QUCCMNQESA-N 0 3 428.533 1.988 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985112 722149456 /nfs/dbraw/zinc/14/94/56/722149456.db2.gz ZIDAEWDSRHUPPC-SLFFLAALSA-N 0 3 437.548 1.053 20 0 IDADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389296 718824630 /nfs/dbraw/zinc/82/46/30/718824630.db2.gz HCSBEPNZHSRGSJ-SJORKVTESA-N 0 3 429.590 1.969 20 0 IDADHN O=C1NCCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)C12CNC2 ZINC001164412564 718878994 /nfs/dbraw/zinc/87/89/94/718878994.db2.gz WWQJWJUUINLXJG-UHFFFAOYSA-N 0 3 426.590 1.834 20 0 IDADHN CC1CCN(Cc2nc3sc4c(c3c(N3CCNC(=O)C35CNC5)n2)CCC4)CC1 ZINC001164410950 718879027 /nfs/dbraw/zinc/87/90/27/718879027.db2.gz KAHGTNWZYCBDIA-UHFFFAOYSA-N 0 3 426.590 1.690 20 0 IDADHN COC(=O)c1cc2c(ncnc2N2C[C@@H](C)N(C)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164640340 719228645 /nfs/dbraw/zinc/22/86/45/719228645.db2.gz SMWOPSADTYTBQI-CABCVRRESA-N 0 3 443.529 1.984 20 0 IDADHN O=C(COCc1nnn2c1CN(c1ccc(CN3CCCC3)cn1)CCC2)N1CCCC1 ZINC001164641079 719259339 /nfs/dbraw/zinc/25/93/39/719259339.db2.gz UWRYCLGGCLAILU-UHFFFAOYSA-N 0 3 439.564 1.818 20 0 IDADHN COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(C)C)CC2)CN1 ZINC001164654360 719333577 /nfs/dbraw/zinc/33/35/77/719333577.db2.gz OFYVMBFUTTZDNN-PXNSSMCTSA-N 0 3 443.548 1.699 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CC2 ZINC001164689594 719742061 /nfs/dbraw/zinc/74/20/61/719742061.db2.gz ISBKIYAHGZNXJI-UHFFFAOYSA-N 0 3 435.956 1.388 20 0 IDADHN CN(C)Cc1ccnc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC001164711248 720162545 /nfs/dbraw/zinc/16/25/45/720162545.db2.gz AHFBFEHLPVZZKZ-HSZRJFAPSA-N 0 3 428.581 1.576 20 0 IDADHN COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)N3C(C)C)C2)nc(S(C)(=O)=O)n1 ZINC001164836666 720547092 /nfs/dbraw/zinc/54/70/92/720547092.db2.gz KPKYFWLATVHRHA-BRWVUGGUSA-N 0 3 434.566 1.463 20 0 IDADHN COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)C)C2)nc(S(C)(=O)=O)n1 ZINC001164836669 720548303 /nfs/dbraw/zinc/54/83/03/720548303.db2.gz KPKYFWLATVHRHA-YESZJQIVSA-N 0 3 434.566 1.463 20 0 IDADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745272 720737205 /nfs/dbraw/zinc/73/72/05/720737205.db2.gz UNSGQQPANJKKKH-IAGOWNOFSA-N 0 3 426.521 1.690 20 0 IDADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1C ZINC001164744032 720751833 /nfs/dbraw/zinc/75/18/33/720751833.db2.gz QTMOIZCVPKMMPI-STQMWFEESA-N 0 3 443.895 1.540 20 0 IDADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738645 720751909 /nfs/dbraw/zinc/75/19/09/720751909.db2.gz GMZLHNCVAPEHKB-RYUDHWBXSA-N 0 3 429.868 1.530 20 0 IDADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738641 720752663 /nfs/dbraw/zinc/75/26/63/720752663.db2.gz GMZLHNCVAPEHKB-NEPJUHHUSA-N 0 3 429.868 1.530 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)cc2C1 ZINC001164739469 720766899 /nfs/dbraw/zinc/76/68/99/720766899.db2.gz IUEJWGFDDDEVGE-DLBZAZTESA-N 0 3 425.493 1.123 20 0 IDADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164740404 720771748 /nfs/dbraw/zinc/77/17/48/720771748.db2.gz KVGVWALHJBDFTB-IRXDYDNUSA-N 0 3 446.577 1.680 20 0 IDADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)c1 ZINC001164751945 720861308 /nfs/dbraw/zinc/86/13/08/720861308.db2.gz RUOOCUSIXNAQTJ-NLWGTHIKSA-N 0 3 430.578 1.846 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164870334 721142643 /nfs/dbraw/zinc/14/26/43/721142643.db2.gz COQSTIFWNUUFKL-UXHICEINSA-N 0 3 445.589 1.987 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164767642 721195973 /nfs/dbraw/zinc/19/59/73/721195973.db2.gz KHFPHHQSQNVKFW-VQTJNVASSA-N 0 3 437.596 1.764 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164762028 721198212 /nfs/dbraw/zinc/19/82/12/721198212.db2.gz BYDLQLUCZPKAKE-RBUKOAKNSA-N 0 3 432.594 1.804 20 0 IDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(CN5CCOCC5)cn4)C3)O2)CC1 ZINC001164888527 721386249 /nfs/dbraw/zinc/38/62/49/721386249.db2.gz JWYKZACWNWHLRU-VWNXMTODSA-N 0 3 429.609 1.679 20 0 IDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(CN5CCOCC5)cn4)C3)O2)CC1 ZINC001164888523 721386278 /nfs/dbraw/zinc/38/62/78/721386278.db2.gz JWYKZACWNWHLRU-ISKFKSNPSA-N 0 3 429.609 1.679 20 0 IDADHN CCc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(N2CCOCC2)n1 ZINC001164886647 721423949 /nfs/dbraw/zinc/42/39/49/721423949.db2.gz KJBLNRFNAUQVGP-QPPBQGQZSA-N 0 3 444.624 1.641 20 0 IDADHN CCc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(N2CCOCC2)n1 ZINC001164886654 721424016 /nfs/dbraw/zinc/42/40/16/721424016.db2.gz KJBLNRFNAUQVGP-XUZZJYLKSA-N 0 3 444.624 1.641 20 0 IDADHN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCNCC2)[C@H]2CCCO[C@H]12 ZINC001164801794 721565093 /nfs/dbraw/zinc/56/50/93/721565093.db2.gz HGPUFADMGFYVEB-BDTNDASRSA-N 0 3 436.560 1.390 20 0 IDADHN Cc1nc2c(nc(Cl)nc2N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)[nH]1 ZINC001164913017 721776887 /nfs/dbraw/zinc/77/68/87/721776887.db2.gz SZEMWBXOXQPORK-HXUWFJFHSA-N 0 3 429.912 1.818 20 0 IDADHN COC(=O)c1c[nH]c2ncnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c12 ZINC001164914098 721786798 /nfs/dbraw/zinc/78/67/98/721786798.db2.gz BMFJAUJTVBSFPX-JOCHJYFZSA-N 0 3 438.488 1.247 20 0 IDADHN O=C(c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCOCC1 ZINC001164977212 722102040 /nfs/dbraw/zinc/10/20/40/722102040.db2.gz FCRCDUXSUXMUJC-FGZHOGPDSA-N 0 3 437.544 1.676 20 0 IDADHN COC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981099 722109541 /nfs/dbraw/zinc/10/95/41/722109541.db2.gz SODRAUXZVLNJBR-FUHWJXTLSA-N 0 3 431.924 1.968 20 0 IDADHN O=C1CCC(=O)N1Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979619 722129540 /nfs/dbraw/zinc/12/95/40/722129540.db2.gz LOQKDELDLOXAJJ-LEWJYISDSA-N 0 3 435.528 1.853 20 0 IDADHN COC(OC)c1c(CO)ccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975157 722132935 /nfs/dbraw/zinc/13/29/35/722132935.db2.gz DXMRRTLQZJPTOQ-UYAOXDASSA-N 0 3 428.533 1.988 20 0 IDADHN COC(OC)c1c(CO)ccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975154 722133144 /nfs/dbraw/zinc/13/31/44/722133144.db2.gz DXMRRTLQZJPTOQ-AZUAARDMSA-N 0 3 428.533 1.988 20 0 IDADHN COC(=O)CSc1cncc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977079 722147228 /nfs/dbraw/zinc/14/72/28/722147228.db2.gz IPMGNHJELTYMCQ-MSOLQXFVSA-N 0 3 429.546 1.864 20 0 IDADHN COC(=O)CSc1cncc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977081 722147254 /nfs/dbraw/zinc/14/72/54/722147254.db2.gz IPMGNHJELTYMCQ-ROUUACIJSA-N 0 3 429.546 1.864 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985109 722149690 /nfs/dbraw/zinc/14/96/90/722149690.db2.gz ZIDAEWDSRHUPPC-HSALFYBXSA-N 0 3 437.548 1.053 20 0 IDADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)c12 ZINC001164996573 722231215 /nfs/dbraw/zinc/23/12/15/722231215.db2.gz JUAQFAKIBNITNI-UHFFFAOYSA-N 0 3 436.520 1.282 20 0 IDADHN CCOC(=O)c1c[nH]c2ncnc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)c12 ZINC001164996573 722231216 /nfs/dbraw/zinc/23/12/16/722231216.db2.gz JUAQFAKIBNITNI-UHFFFAOYSA-N 0 3 436.520 1.282 20 0 IDADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389291 718824544 /nfs/dbraw/zinc/82/45/44/718824544.db2.gz HCSBEPNZHSRGSJ-IAGOWNOFSA-N 0 3 429.590 1.969 20 0 IDADHN COC(=O)c1cc2c(ncnc2N2C[C@H](C)N(C)C[C@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164640345 719229338 /nfs/dbraw/zinc/22/93/38/719229338.db2.gz SMWOPSADTYTBQI-LSDHHAIUSA-N 0 3 443.529 1.984 20 0 IDADHN COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCN(CC(C)C)CC2)CN1 ZINC001164654363 719333476 /nfs/dbraw/zinc/33/34/76/719333476.db2.gz OFYVMBFUTTZDNN-YLJYHZDGSA-N 0 3 443.548 1.699 20 0 IDADHN O=C(c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1)N1CCS(=O)(=O)CC1 ZINC001164733562 720458480 /nfs/dbraw/zinc/45/84/80/720458480.db2.gz PSWZJNXCALBVMB-WOJBJXKFSA-N 0 3 441.557 1.200 20 0 IDADHN c1nc2n(c1CN1CCCC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164736984 720580356 /nfs/dbraw/zinc/58/03/56/720580356.db2.gz XLMGVWYSLSRKER-UHFFFAOYSA-N 0 3 437.596 1.927 20 0 IDADHN c1cc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164743068 720641158 /nfs/dbraw/zinc/64/11/58/720641158.db2.gz OTEWHDZCVPQYPV-HZPDHXFCSA-N 0 3 439.545 1.660 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737911 720759795 /nfs/dbraw/zinc/75/97/95/720759795.db2.gz DKZAZAKYHGLEHL-SJORKVTESA-N 0 3 432.550 1.244 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164742879 720760606 /nfs/dbraw/zinc/76/06/06/720760606.db2.gz OYJUQFOSTZFAEN-QZTJIDSGSA-N 0 3 444.561 1.388 20 0 IDADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164739475 720768139 /nfs/dbraw/zinc/76/81/39/720768139.db2.gz IVBJRFUHZKGTRS-MSOLQXFVSA-N 0 3 446.577 1.680 20 0 IDADHN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164762029 721196958 /nfs/dbraw/zinc/19/69/58/721196958.db2.gz BYDLQLUCZPKAKE-RTBURBONSA-N 0 3 432.594 1.804 20 0 IDADHN CCc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(N2CCOCC2)n1 ZINC001164886651 721423343 /nfs/dbraw/zinc/42/33/43/721423343.db2.gz KJBLNRFNAUQVGP-URXFXBBRSA-N 0 3 444.624 1.641 20 0 IDADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898836 721521551 /nfs/dbraw/zinc/52/15/51/721521551.db2.gz JNHSWFKONSVOEQ-RDJZCZTQSA-N 0 3 434.903 1.843 20 0 IDADHN O=C(NC1CCOCC1)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164906530 721560436 /nfs/dbraw/zinc/56/04/36/721560436.db2.gz JTZAJSAMGQDABO-QUCCMNQESA-N 0 3 441.507 1.866 20 0 IDADHN O=C(c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCOCC1 ZINC001164977210 722102201 /nfs/dbraw/zinc/10/22/01/722102201.db2.gz FCRCDUXSUXMUJC-FCHUYYIVSA-N 0 3 437.544 1.676 20 0 IDADHN COC(=O)c1nc2cnccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972462 722126460 /nfs/dbraw/zinc/12/64/60/722126460.db2.gz FQLQFLZEIYBWOT-XLIONFOSSA-N 0 3 434.500 1.934 20 0 IDADHN CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980323 722141107 /nfs/dbraw/zinc/14/11/07/722141107.db2.gz MUIZPZDHUNNACS-FPOVZHCZSA-N 0 3 445.589 1.891 20 0 IDADHN O=S(=O)(NC1CC1)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972836 722142222 /nfs/dbraw/zinc/14/22/22/722142222.db2.gz AXIWHFDEDXLING-NQIIRXRSSA-N 0 3 443.573 1.645 20 0 IDADHN CCOC(=O)c1cnc2cc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)[nH]cc1-2 ZINC001165001762 722236792 /nfs/dbraw/zinc/23/67/92/722236792.db2.gz LRXYTSJRCPTKJT-UHFFFAOYSA-N 0 3 435.532 1.887 20 0 IDADHN CN(Cc1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1)C1CC1 ZINC001165005102 722241635 /nfs/dbraw/zinc/24/16/35/722241635.db2.gz RMRNTFTZRDXGMP-SFHVURJKSA-N 0 3 432.532 1.729 20 0 IDADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164624740 719131216 /nfs/dbraw/zinc/13/12/16/719131216.db2.gz VSHATFHZNZFGDL-CQSZACIVSA-N 0 3 440.834 1.983 20 0 IDADHN CN1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3CN3CC[C@H](CO)C3)C[C@@H]21 ZINC001164667404 719418410 /nfs/dbraw/zinc/41/84/10/719418410.db2.gz FNRFENGMFUWKJP-FFZOFVMBSA-N 0 3 431.581 1.400 20 0 IDADHN CNC(=O)CN1CCCC12CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)CC2 ZINC001164684511 719727226 /nfs/dbraw/zinc/72/72/26/719727226.db2.gz HNGWOGBNUGSQDM-UHFFFAOYSA-N 0 3 430.553 1.047 20 0 IDADHN COC[C@@H]1CN(CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814639 720199232 /nfs/dbraw/zinc/19/92/32/720199232.db2.gz VMOJTXVZDRIQNY-LIRRHRJNSA-N 0 3 426.970 1.645 20 0 IDADHN CN(Cc1ccc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)nc1)C1CC1 ZINC001164831177 720473610 /nfs/dbraw/zinc/47/36/10/720473610.db2.gz NFQZVSGNYCSNCD-FQEVSTJZSA-N 0 3 440.592 1.862 20 0 IDADHN c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741978 720690925 /nfs/dbraw/zinc/69/09/25/720690925.db2.gz UWVJYQXDSYHWTI-MSOLQXFVSA-N 0 3 433.516 1.598 20 0 IDADHN c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741979 720691891 /nfs/dbraw/zinc/69/18/91/720691891.db2.gz UWVJYQXDSYHWTI-QZTJIDSGSA-N 0 3 433.516 1.598 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164742877 720761100 /nfs/dbraw/zinc/76/11/00/720761100.db2.gz OYJUQFOSTZFAEN-MSOLQXFVSA-N 0 3 444.561 1.388 20 0 IDADHN CCOC(=O)N1CCc2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc2C1 ZINC001164739473 720766244 /nfs/dbraw/zinc/76/62/44/720766244.db2.gz IUEJWGFDDDEVGE-SJORKVTESA-N 0 3 425.493 1.123 20 0 IDADHN COC(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C(=O)OC ZINC001164866842 721055393 /nfs/dbraw/zinc/05/53/93/721055393.db2.gz GGWOWBOZFLJWHB-DLBZAZTESA-N 0 3 426.473 1.530 20 0 IDADHN O=S(=O)(c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCCC1 ZINC001164878597 721143739 /nfs/dbraw/zinc/14/37/39/721143739.db2.gz QOGKPIXGONZTFC-WOJBJXKFSA-N 0 3 443.573 1.741 20 0 IDADHN COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)CC1 ZINC001164762563 721159907 /nfs/dbraw/zinc/15/99/07/721159907.db2.gz CTXGPTPWTYDZOJ-VQTJNVASSA-N 0 3 439.564 1.558 20 0 IDADHN COC(=O)C1CCN(c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)n2)CC1 ZINC001164762012 721170530 /nfs/dbraw/zinc/17/05/30/721170530.db2.gz BUNHPPJNCFLSNR-VQTJNVASSA-N 0 3 439.564 1.558 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)N5CCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164768710 721198924 /nfs/dbraw/zinc/19/89/24/721198924.db2.gz LPEHSJUPVWOZMN-OALUTQOASA-N 0 3 430.578 1.558 20 0 IDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)C[C@@H]3C2)cn1 ZINC001164771503 721208108 /nfs/dbraw/zinc/20/81/08/721208108.db2.gz QRCPZRINAYZJNM-OALUTQOASA-N 0 3 437.548 1.604 20 0 IDADHN COCCn1ccc2c1ncnc2N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164892908 721416490 /nfs/dbraw/zinc/41/64/90/721416490.db2.gz ZDGZLWQEAMGMOT-CVDCTZTESA-N 0 3 428.581 1.843 20 0 IDADHN COC(=O)c1cc2c(ncnc2N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)[nH]1 ZINC001164911419 721772663 /nfs/dbraw/zinc/77/26/63/721772663.db2.gz GPOBTBGNKXIQAH-JOCHJYFZSA-N 0 3 438.488 1.199 20 0 IDADHN CN1CCN(c2cccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n2)CC1 ZINC001164916651 721788633 /nfs/dbraw/zinc/78/86/33/721788633.db2.gz RTMRUVZHINAXDJ-DEOSSOPVSA-N 0 3 438.576 1.336 20 0 IDADHN COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981100 722109587 /nfs/dbraw/zinc/10/95/87/722109587.db2.gz SODRAUXZVLNJBR-SJLPKXTDSA-N 0 3 431.924 1.968 20 0 IDADHN O=S(=O)(NC1CC1)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972835 722142104 /nfs/dbraw/zinc/14/21/04/722142104.db2.gz AXIWHFDEDXLING-GHTZIAJQSA-N 0 3 443.573 1.645 20 0 IDADHN NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985115 722149581 /nfs/dbraw/zinc/14/95/81/722149581.db2.gz ZIDAEWDSRHUPPC-UFYCRDLUSA-N 0 3 437.548 1.053 20 0 IDADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1n[nH]c(Cl)c3ncnc1-3)C2 ZINC001164832647 720460781 /nfs/dbraw/zinc/46/07/81/720460781.db2.gz UUNKOZBGKUHSOD-CYBMUJFWSA-N 0 3 432.916 1.192 20 0 IDADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001164829323 720468071 /nfs/dbraw/zinc/46/80/71/720468071.db2.gz FPSFLSHWKPMRAL-MRXNPFEDSA-N 0 3 446.983 1.567 20 0 IDADHN CN1CCN(c2ccc(N(c3nc(N4CCCC4)nc4c3CNCC4)C3CC3)nn2)CC1 ZINC001164844857 720743281 /nfs/dbraw/zinc/74/32/81/720743281.db2.gz UQULQNOJCKPQMI-UHFFFAOYSA-N 0 3 435.580 1.565 20 0 IDADHN CN1CCN(c2nccc(N(c3nc(N4CCCC4)nc4c3CNCC4)C3CC3)n2)CC1 ZINC001164845176 720743616 /nfs/dbraw/zinc/74/36/16/720743616.db2.gz WOYATWGWONKEMX-UHFFFAOYSA-N 0 3 435.580 1.565 20 0 IDADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164740403 720771310 /nfs/dbraw/zinc/77/13/10/720771310.db2.gz KVGVWALHJBDFTB-IAGOWNOFSA-N 0 3 446.577 1.680 20 0 IDADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CCN3C2)c1 ZINC001164871393 721069954 /nfs/dbraw/zinc/06/99/54/721069954.db2.gz YMZXORBIRKWXEC-MOPGFXCFSA-N 0 3 437.548 1.156 20 0 IDADHN CN1c2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164866317 721092540 /nfs/dbraw/zinc/09/25/40/721092540.db2.gz SDEGOBFIRLJCLJ-QYZOEREBSA-N 0 3 435.532 1.297 20 0 IDADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164891887 721389318 /nfs/dbraw/zinc/38/93/18/721389318.db2.gz RIDZIZUQWWJTCH-KSFYIVLOSA-N 0 3 428.537 1.462 20 0 IDADHN COC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)c12 ZINC001164948268 721975751 /nfs/dbraw/zinc/97/57/51/721975751.db2.gz WAQILYBSPDKVRM-UHFFFAOYSA-N 0 3 434.500 1.716 20 0 IDADHN COC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C(=O)OC ZINC001164977314 722103945 /nfs/dbraw/zinc/10/39/45/722103945.db2.gz FTPJLYUGVBYIKO-IEBWSBKVSA-N 0 3 440.500 1.777 20 0 IDADHN CN1c2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979835 722120370 /nfs/dbraw/zinc/12/03/70/722120370.db2.gz QIUMQURIMSXUIH-DYXWJJEUSA-N 0 3 449.559 1.544 20 0 IDADHN CCNS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164984635 722140800 /nfs/dbraw/zinc/14/08/00/722140800.db2.gz YDBXFDPCKZCBNZ-AZUAARDMSA-N 0 3 431.562 1.502 20 0 IDADHN CCc1cc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc(N2CCOCC2)n1 ZINC001164997124 722235431 /nfs/dbraw/zinc/23/54/31/722235431.db2.gz KWGKKIMXETWMNX-UHFFFAOYSA-N 0 3 438.580 1.023 20 0 IDADHN