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1069388585 /nfs/dbraw/zinc/38/85/85/1069388585.db2.gz AONPEKPWJINWGD-YLJYHZDGSA-N 0 3 450.536 -0.148 20 0 JBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)C(N)=O ZINC001160371680 1069389019 /nfs/dbraw/zinc/38/90/19/1069389019.db2.gz UOQFKJMFGRFMHZ-ORHBMQHOSA-N 0 3 462.526 -0.827 20 0 JBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)C(N)=O ZINC001160371681 1069388804 /nfs/dbraw/zinc/38/88/04/1069388804.db2.gz UOQFKJMFGRFMHZ-WTBBCNCBSA-N 0 3 462.526 -0.827 20 0 JBADHN Cc1nc(CO[C@H]2COC3(C2)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC3)cs1 ZINC001160378398 1069389797 /nfs/dbraw/zinc/38/97/97/1069389797.db2.gz KQSSIHRTPABOPD-MAZHCROVSA-N 0 3 453.565 -0.174 20 0 JBADHN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC3)cs1 ZINC001160378402 1069389563 /nfs/dbraw/zinc/38/95/63/1069389563.db2.gz KQSSIHRTPABOPD-RCBQFDQVSA-N 0 3 453.565 -0.174 20 0 JBADHN COc1ccc2c(C[C@H](N)C(=O)N3CCn4c(COCC(=O)N(C)C)nnc4C3)cc(=O)oc2c1 ZINC001160380141 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ZINC001161500124 1069427781 /nfs/dbraw/zinc/42/77/81/1069427781.db2.gz OKPMNHISKBXISL-VCOUNFBDSA-N 0 3 459.591 -0.255 20 0 JBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161506195 1069428377 /nfs/dbraw/zinc/42/83/77/1069428377.db2.gz CDQIVSNQGQLITF-IKGGRYGDSA-N 0 3 487.692 -0.300 20 0 JBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161506196 1069428555 /nfs/dbraw/zinc/42/85/55/1069428555.db2.gz CDQIVSNQGQLITF-ULQDDVLXSA-N 0 3 487.692 -0.300 20 0 JBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161508317 1069429418 /nfs/dbraw/zinc/42/94/18/1069429418.db2.gz YFLSMIMKOGSPAN-DKIMLUQUSA-N 0 3 469.652 -0.007 20 0 JBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161508319 1069429234 /nfs/dbraw/zinc/42/92/34/1069429234.db2.gz YFLSMIMKOGSPAN-RANZSIQMSA-N 0 3 469.652 -0.007 20 0 JBADHN 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20 0 JBADHN COC(=O)CC[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001161570174 1069429111 /nfs/dbraw/zinc/42/91/11/1069429111.db2.gz CTFMJSQDFNXFAH-IPJJNNNSSA-N 0 3 476.574 -0.006 20 0 JBADHN COC(=O)c1cnc2c(c1)CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC2 ZINC001161577574 1069429402 /nfs/dbraw/zinc/42/94/02/1069429402.db2.gz WWUMTKRHSULZGK-ROOHIHILSA-N 0 3 493.536 -0.346 20 0 JBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)C(=O)CF ZINC001161601913 1069429336 /nfs/dbraw/zinc/42/93/36/1069429336.db2.gz OLCLIUUJJAOKKB-ZTTBQOKTSA-N 0 3 489.564 -0.841 20 0 JBADHN CCOC(=O)c1c2c(nn1C)CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C2 ZINC001161601919 1069429934 /nfs/dbraw/zinc/42/99/34/1069429934.db2.gz OXHZYDQVOFCRSO-YEWDVWPNSA-N 0 3 496.540 -0.660 20 0 JBADHN CCOC(=O)c1cn2nc([C@H]3CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C3)sc2n1 ZINC001161607075 1069430110 /nfs/dbraw/zinc/43/01/10/1069430110.db2.gz 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/nfs/dbraw/zinc/45/15/90/1069451590.db2.gz LXVAZFRDUUIFER-WMZOPIPTSA-N 0 3 475.513 -0.414 20 0 JBADHN Cc1nc(N(C)C)nc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163427837 1069451353 /nfs/dbraw/zinc/45/13/53/1069451353.db2.gz MGYGCDSULQTYNZ-ROUUACIJSA-N 0 3 476.545 -0.004 20 0 JBADHN CN(C)C(=O)c1cncc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163428047 1069451737 /nfs/dbraw/zinc/45/17/37/1069451737.db2.gz PYNYUWDKJYFNKN-ROUUACIJSA-N 0 3 489.540 -0.072 20 0 JBADHN NC(=O)c1cccnc1-n1cc(C[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163428162 1069451676 /nfs/dbraw/zinc/45/16/76/1069451676.db2.gz RUTLVDQISRREGW-ROUUACIJSA-N 0 3 460.498 -0.070 20 0 JBADHN NC(=O)[C@H](Cc1cn(-c2ccc(S(N)(=O)=O)cn2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163428821 1069451606 /nfs/dbraw/zinc/45/16/06/1069451606.db2.gz UBJVPYGRUFRXQO-ROUUACIJSA-N 0 3 496.553 -0.521 20 0 JBADHN NC(=O)c1ccnc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)c1 ZINC001163428857 1069451693 /nfs/dbraw/zinc/45/16/93/1069451693.db2.gz UDOFMMQZKRBNJR-ROUUACIJSA-N 0 3 460.498 -0.070 20 0 JBADHN NC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)nn1 ZINC001163428877 1069451539 /nfs/dbraw/zinc/45/15/39/1069451539.db2.gz UFPXTCVUFUCWSU-RDJZCZTQSA-N 0 3 461.486 -0.675 20 0 JBADHN NC(=O)c1cc(Cl)nc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163428916 1069451624 /nfs/dbraw/zinc/45/16/24/1069451624.db2.gz UPOHWMOTEIATPA-GJZGRUSLSA-N 0 3 495.931 -0.022 20 0 JBADHN NC(=O)c1ncc(Cl)nc1-n1cc(C[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163429224 1069452276 /nfs/dbraw/zinc/45/22/76/1069452276.db2.gz VUABATGIWOLNJQ-GJZGRUSLSA-N 0 3 495.931 -0.022 20 0 JBADHN NC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)nc1 ZINC001163429291 1069452375 /nfs/dbraw/zinc/45/23/75/1069452375.db2.gz ZFEKCACUZJZYRC-ROUUACIJSA-N 0 3 460.498 -0.070 20 0 JBADHN NC(=O)c1c(Cl)ncnc1-n1cc(C[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163429308 1069452352 /nfs/dbraw/zinc/45/23/52/1069452352.db2.gz ZVIDLRHSXFLOLF-GJZGRUSLSA-N 0 3 495.931 -0.022 20 0 JBADHN CCNC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(N)=O)c3ccccc32)nn1 ZINC001163429345 1069452430 /nfs/dbraw/zinc/45/24/30/1069452430.db2.gz ZZVVDUGTMAVHEY-HKUYNNGSSA-N 0 3 489.540 -0.024 20 0 JBADHN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cccc(N2CCN(C)CC2)n1)C(N)=O ZINC001163432459 1069452314 /nfs/dbraw/zinc/45/23/14/1069452314.db2.gz HTWXWSSHBBEFQC-YWMUFLPLSA-N 0 3 456.547 -0.087 20 0 JBADHN NC(=O)[C@H](Cc1cn(-c2cccc(S(N)(=O)=O)n2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163433743 1069453182 /nfs/dbraw/zinc/45/31/82/1069453182.db2.gz QVGCMNRKMDYGTM-IRXDYDNUSA-N 0 3 496.553 -0.521 20 0 JBADHN NC(=O)[C@H](Cc1cn(-c2cccc(S(N)(=O)=O)n2)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163433743 1069453177 /nfs/dbraw/zinc/45/31/77/1069453177.db2.gz QVGCMNRKMDYGTM-IRXDYDNUSA-N 0 3 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CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001288272667 1069860879 /nfs/dbraw/zinc/86/08/79/1069860879.db2.gz TXMBIRTWVPZDEO-GOSISDBHSA-N 0 3 483.639 -0.146 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001288272668 1069861617 /nfs/dbraw/zinc/86/16/17/1069861617.db2.gz TXMBIRTWVPZDEO-SFHVURJKSA-N 0 3 483.639 -0.146 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCCS(C)(=O)=O ZINC001288817499 1069879773 /nfs/dbraw/zinc/87/97/73/1069879773.db2.gz KRMHNQYFBYPREG-INIZCTEOSA-N 0 3 492.668 -0.128 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCCS(C)(=O)=O ZINC001288817503 1069879726 /nfs/dbraw/zinc/87/97/26/1069879726.db2.gz KRMHNQYFBYPREG-MRXNPFEDSA-N 0 3 492.668 -0.128 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288854628 1069888544 /nfs/dbraw/zinc/88/85/44/1069888544.db2.gz ASZXAKGCEVIHLE-CKJXQJPGSA-N 0 3 496.638 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288854630 1069888286 /nfs/dbraw/zinc/88/82/86/1069888286.db2.gz ASZXAKGCEVIHLE-GCKMJXCFSA-N 0 3 496.638 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288854633 1069888095 /nfs/dbraw/zinc/88/80/95/1069888095.db2.gz ASZXAKGCEVIHLE-MRUHUIDDSA-N 0 3 496.638 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288854635 1069888423 /nfs/dbraw/zinc/88/84/23/1069888423.db2.gz ASZXAKGCEVIHLE-QYWGDWMGSA-N 0 3 496.638 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CCOCC1 ZINC001288855638 1069888798 /nfs/dbraw/zinc/88/87/98/1069888798.db2.gz GXWCCRRZSJYDJQ-DLBZAZTESA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(O)CCOCC1 ZINC001288855639 1069889234 /nfs/dbraw/zinc/88/92/34/1069889234.db2.gz GXWCCRRZSJYDJQ-IAGOWNOFSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CCOCC1 ZINC001288855640 1069889305 /nfs/dbraw/zinc/88/93/05/1069889305.db2.gz GXWCCRRZSJYDJQ-IRXDYDNUSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(O)CCOCC1 ZINC001288855641 1069889073 /nfs/dbraw/zinc/88/90/73/1069889073.db2.gz GXWCCRRZSJYDJQ-SJORKVTESA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cnn(C)c1 ZINC001288855931 1069889855 /nfs/dbraw/zinc/88/98/55/1069889855.db2.gz IZXPPQUSUVJVEL-DOTOQJQBSA-N 0 3 479.611 -0.587 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cnn(C)c1 ZINC001288855942 1069890032 /nfs/dbraw/zinc/89/00/32/1069890032.db2.gz IZXPPQUSUVJVEL-NVXWUHKLSA-N 0 3 479.611 -0.587 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cnn(C)c1 ZINC001288855945 1069890087 /nfs/dbraw/zinc/89/00/87/1069890087.db2.gz IZXPPQUSUVJVEL-RDJZCZTQSA-N 0 3 479.611 -0.587 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cnn(C)c1 ZINC001288855947 1069890356 /nfs/dbraw/zinc/89/03/56/1069890356.db2.gz IZXPPQUSUVJVEL-WBVHZDCISA-N 0 3 479.611 -0.587 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856034 1069890414 /nfs/dbraw/zinc/89/04/14/1069890414.db2.gz KZRXBNNPIJSWRX-BBWFWOEESA-N 0 3 485.611 -0.954 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856035 1069889900 /nfs/dbraw/zinc/88/99/00/1069889900.db2.gz KZRXBNNPIJSWRX-BRWVUGGUSA-N 0 3 485.611 -0.954 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856036 1069890189 /nfs/dbraw/zinc/89/01/89/1069890189.db2.gz KZRXBNNPIJSWRX-GVDBMIGSSA-N 0 3 485.611 -0.954 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856037 1069890537 /nfs/dbraw/zinc/89/05/37/1069890537.db2.gz KZRXBNNPIJSWRX-ZACQAIPSSA-N 0 3 485.611 -0.954 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288856604 1069891051 /nfs/dbraw/zinc/89/10/51/1069891051.db2.gz PUVYWFSMJGRVSO-HZUJVAHNSA-N 0 3 483.639 -0.208 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288856605 1069891308 /nfs/dbraw/zinc/89/13/08/1069891308.db2.gz PUVYWFSMJGRVSO-LUQKVYGDSA-N 0 3 483.639 -0.208 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@](C)(O)C1CC1 ZINC001288856606 1069891132 /nfs/dbraw/zinc/89/11/32/1069891132.db2.gz PUVYWFSMJGRVSO-WJPUGNRLSA-N 0 3 483.639 -0.208 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@](C)(O)C1CC1 ZINC001288856607 1069890919 /nfs/dbraw/zinc/89/09/19/1069890919.db2.gz PUVYWFSMJGRVSO-XPIZARPCSA-N 0 3 483.639 -0.208 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001288856890 1069891171 /nfs/dbraw/zinc/89/11/71/1069891171.db2.gz QJAAWNGLERCTKE-INIZCTEOSA-N 0 3 479.611 -0.586 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001288856891 1069890860 /nfs/dbraw/zinc/89/08/60/1069890860.db2.gz QJAAWNGLERCTKE-MRXNPFEDSA-N 0 3 479.611 -0.586 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288857421 1069893113 /nfs/dbraw/zinc/89/31/13/1069893113.db2.gz XUGQPHJHORXJIX-HRAATJIYSA-N 0 3 496.638 -0.889 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288857422 1069892958 /nfs/dbraw/zinc/89/29/58/1069892958.db2.gz XUGQPHJHORXJIX-IERDGZPVSA-N 0 3 496.638 -0.889 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288857423 1069892538 /nfs/dbraw/zinc/89/25/38/1069892538.db2.gz XUGQPHJHORXJIX-IIBYNOLFSA-N 0 3 496.638 -0.889 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288857424 1069892666 /nfs/dbraw/zinc/89/26/66/1069892666.db2.gz XUGQPHJHORXJIX-KKSFZXQISA-N 0 3 496.638 -0.889 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001288857437 1069892629 /nfs/dbraw/zinc/89/26/29/1069892629.db2.gz XYFKENOBNULWPP-KRWDZBQOSA-N 0 3 499.638 -0.826 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001288857438 1069893049 /nfs/dbraw/zinc/89/30/49/1069893049.db2.gz XYFKENOBNULWPP-QGZVFWFLSA-N 0 3 499.638 -0.826 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288857495 1069892801 /nfs/dbraw/zinc/89/28/01/1069892801.db2.gz ZAZFNPJVFSAYDW-HRAATJIYSA-N 0 3 483.639 -0.206 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001288857496 1069892596 /nfs/dbraw/zinc/89/25/96/1069892596.db2.gz ZAZFNPJVFSAYDW-IERDGZPVSA-N 0 3 483.639 -0.206 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288857497 1069892908 /nfs/dbraw/zinc/89/29/08/1069892908.db2.gz ZAZFNPJVFSAYDW-IIBYNOLFSA-N 0 3 483.639 -0.206 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001288857498 1069892732 /nfs/dbraw/zinc/89/27/32/1069892732.db2.gz ZAZFNPJVFSAYDW-KKSFZXQISA-N 0 3 483.639 -0.206 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001288859448 1069894404 /nfs/dbraw/zinc/89/44/04/1069894404.db2.gz LBUYRPCCEMVNDI-CVEARBPZSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001288859450 1069894714 /nfs/dbraw/zinc/89/47/14/1069894714.db2.gz LBUYRPCCEMVNDI-HOTGVXAUSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001288859452 1069894646 /nfs/dbraw/zinc/89/46/46/1069894646.db2.gz LBUYRPCCEMVNDI-HZPDHXFCSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001288859453 1069894848 /nfs/dbraw/zinc/89/48/48/1069894848.db2.gz LBUYRPCCEMVNDI-JKSUJKDBSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288861937 1069896405 /nfs/dbraw/zinc/89/64/05/1069896405.db2.gz GGJZTYYAKWEPKL-DOTOQJQBSA-N 0 3 458.585 -0.395 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288861940 1069896465 /nfs/dbraw/zinc/89/64/65/1069896465.db2.gz GGJZTYYAKWEPKL-NVXWUHKLSA-N 0 3 458.585 -0.395 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001288863429 1069899399 /nfs/dbraw/zinc/89/93/99/1069899399.db2.gz PFKMGQWLVPIBLY-JFIYKMOQSA-N 0 3 472.612 -0.007 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001288863430 1069899316 /nfs/dbraw/zinc/89/93/16/1069899316.db2.gz PFKMGQWLVPIBLY-SOLBZPMBSA-N 0 3 472.612 -0.007 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)NCC(F)F ZINC001288863503 1069899680 /nfs/dbraw/zinc/89/96/80/1069899680.db2.gz RCHCOBZMMDFBIP-KBPBESRZSA-N 0 3 493.581 -0.041 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)NCC(F)F ZINC001288863504 1069899641 /nfs/dbraw/zinc/89/96/41/1069899641.db2.gz RCHCOBZMMDFBIP-UONOGXRCSA-N 0 3 493.581 -0.041 20 0 JBADHN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)N1CCOCC1 ZINC001288864784 1069900203 /nfs/dbraw/zinc/90/02/03/1069900203.db2.gz YSJHMCOJHFONDD-MSOLQXFVSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)N1CCOCC1 ZINC001288864786 1069900248 /nfs/dbraw/zinc/90/02/48/1069900248.db2.gz YSJHMCOJHFONDD-QZTJIDSGSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)N1CCOCC1 ZINC001288864787 1069900866 /nfs/dbraw/zinc/90/08/66/1069900866.db2.gz YSJHMCOJHFONDD-ROUUACIJSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001288864789 1069900904 /nfs/dbraw/zinc/90/09/04/1069900904.db2.gz YSJHMCOJHFONDD-ZWKOTPCHSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCCN1CCOCC1 ZINC001288869463 1069902782 /nfs/dbraw/zinc/90/27/82/1069902782.db2.gz HVRHJXLLUHTLIJ-MSOLQXFVSA-N 0 3 471.628 -0.479 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCCN1CCOCC1 ZINC001288869466 1069902978 /nfs/dbraw/zinc/90/29/78/1069902978.db2.gz HVRHJXLLUHTLIJ-QZTJIDSGSA-N 0 3 471.628 -0.479 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCCN1CCOCC1 ZINC001288869469 1069902762 /nfs/dbraw/zinc/90/27/62/1069902762.db2.gz HVRHJXLLUHTLIJ-ROUUACIJSA-N 0 3 471.628 -0.479 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCCN1CCOCC1 ZINC001288869471 1069902916 /nfs/dbraw/zinc/90/29/16/1069902916.db2.gz HVRHJXLLUHTLIJ-ZWKOTPCHSA-N 0 3 471.628 -0.479 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288869997 1069903668 /nfs/dbraw/zinc/90/36/68/1069903668.db2.gz LUJMWCIYWAXJDB-KBPBESRZSA-N 0 3 497.544 -0.275 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288869998 1069903485 /nfs/dbraw/zinc/90/34/85/1069903485.db2.gz LUJMWCIYWAXJDB-KGLIPLIRSA-N 0 3 497.544 -0.275 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288869999 1069903643 /nfs/dbraw/zinc/90/36/43/1069903643.db2.gz LUJMWCIYWAXJDB-UONOGXRCSA-N 0 3 497.544 -0.275 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288870000 1069903574 /nfs/dbraw/zinc/90/35/74/1069903574.db2.gz LUJMWCIYWAXJDB-ZIAGYGMSSA-N 0 3 497.544 -0.275 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC(=O)N(C)C ZINC001288871191 1069905624 /nfs/dbraw/zinc/90/56/24/1069905624.db2.gz PUTYNYBBUZNORR-CVEARBPZSA-N 0 3 457.601 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC(=O)N(C)C ZINC001288871193 1069905744 /nfs/dbraw/zinc/90/57/44/1069905744.db2.gz PUTYNYBBUZNORR-HOTGVXAUSA-N 0 3 457.601 -0.475 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC(=O)N(C)C ZINC001288871195 1069905658 /nfs/dbraw/zinc/90/56/58/1069905658.db2.gz PUTYNYBBUZNORR-HZPDHXFCSA-N 0 3 457.601 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC(=O)N(C)C ZINC001288871196 1069905556 /nfs/dbraw/zinc/90/55/56/1069905556.db2.gz PUTYNYBBUZNORR-JKSUJKDBSA-N 0 3 457.601 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288871657 1069905759 /nfs/dbraw/zinc/90/57/59/1069905759.db2.gz QXKYJAPXEBMNDR-FTRWYGJKSA-N 0 3 469.612 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288871661 1069905686 /nfs/dbraw/zinc/90/56/86/1069905686.db2.gz QXKYJAPXEBMNDR-RZQQEMMASA-N 0 3 469.612 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288871665 1069905770 /nfs/dbraw/zinc/90/57/70/1069905770.db2.gz QXKYJAPXEBMNDR-TWOQFEAHSA-N 0 3 469.612 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288871668 1069905785 /nfs/dbraw/zinc/90/57/85/1069905785.db2.gz QXKYJAPXEBMNDR-YRNRMSPPSA-N 0 3 469.612 -0.475 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCC(=O)N(C)C ZINC001288872061 1069906247 /nfs/dbraw/zinc/90/62/47/1069906247.db2.gz RUQNYSWQBMKQHG-DLBZAZTESA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCC(=O)N(C)C ZINC001288872063 1069906433 /nfs/dbraw/zinc/90/64/33/1069906433.db2.gz RUQNYSWQBMKQHG-IAGOWNOFSA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCC(=O)N(C)C ZINC001288872066 1069906232 /nfs/dbraw/zinc/90/62/32/1069906232.db2.gz RUQNYSWQBMKQHG-IRXDYDNUSA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCC(=O)N(C)C ZINC001288872069 1069906414 /nfs/dbraw/zinc/90/64/14/1069906414.db2.gz RUQNYSWQBMKQHG-SJORKVTESA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1(N2CCCC2)CCOCC1 ZINC001288880783 1069909056 /nfs/dbraw/zinc/90/90/56/1069909056.db2.gz SZIBMJDWMFMAOY-INIZCTEOSA-N 0 3 490.652 -0.232 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1(N2CCCC2)CCOCC1 ZINC001288880784 1069909082 /nfs/dbraw/zinc/90/90/82/1069909082.db2.gz SZIBMJDWMFMAOY-MRXNPFEDSA-N 0 3 490.652 -0.232 20 0 JBADHN C[C@]1(C(N)=O)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001288996398 1069911821 /nfs/dbraw/zinc/91/18/21/1069911821.db2.gz VPKLLRZIQOBXDL-JXFKEZNVSA-N 0 3 469.612 -0.201 20 0 JBADHN C[C@@]1(C(N)=O)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001288996399 1069911687 /nfs/dbraw/zinc/91/16/87/1069911687.db2.gz VPKLLRZIQOBXDL-OXJNMPFZSA-N 0 3 469.612 -0.201 20 0 JBADHN C[C@@]1(C(N)=O)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001288996400 1069911807 /nfs/dbraw/zinc/91/18/07/1069911807.db2.gz VPKLLRZIQOBXDL-OXQOHEQNSA-N 0 3 469.612 -0.201 20 0 JBADHN C[C@]1(C(N)=O)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 ZINC001288996401 1069911670 /nfs/dbraw/zinc/91/16/70/1069911670.db2.gz VPKLLRZIQOBXDL-UZLBHIALSA-N 0 3 469.612 -0.201 20 0 JBADHN Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnn1C ZINC001289231951 1069913276 /nfs/dbraw/zinc/91/32/76/1069913276.db2.gz OFKBGHMINCPTRA-CRAIPNDOSA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnn1C ZINC001289231952 1069913150 /nfs/dbraw/zinc/91/31/50/1069913150.db2.gz OFKBGHMINCPTRA-MAUKXSAKSA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnn1C ZINC001289231953 1069913341 /nfs/dbraw/zinc/91/33/41/1069913341.db2.gz OFKBGHMINCPTRA-QAPCUYQASA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnn1C ZINC001289231954 1069913378 /nfs/dbraw/zinc/91/33/78/1069913378.db2.gz OFKBGHMINCPTRA-YJBOKZPZSA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001290280322 1069917178 /nfs/dbraw/zinc/91/71/78/1069917178.db2.gz VFALVKJKXGIZGG-MSOLQXFVSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001290280323 1069917052 /nfs/dbraw/zinc/91/70/52/1069917052.db2.gz VFALVKJKXGIZGG-QZTJIDSGSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001290280324 1069917118 /nfs/dbraw/zinc/91/71/18/1069917118.db2.gz VFALVKJKXGIZGG-ROUUACIJSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001290280325 1069917826 /nfs/dbraw/zinc/91/78/26/1069917826.db2.gz VFALVKJKXGIZGG-ZWKOTPCHSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001290521930 1069919364 /nfs/dbraw/zinc/91/93/64/1069919364.db2.gz QOOBBNUUMSXXGB-AEFFLSMTSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001290521931 1069919265 /nfs/dbraw/zinc/91/92/65/1069919265.db2.gz QOOBBNUUMSXXGB-FUHWJXTLSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001290521932 1069919151 /nfs/dbraw/zinc/91/91/51/1069919151.db2.gz QOOBBNUUMSXXGB-SJLPKXTDSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001290521933 1069919290 /nfs/dbraw/zinc/91/92/90/1069919290.db2.gz QOOBBNUUMSXXGB-WMZOPIPTSA-N 0 3 493.638 -0.164 20 0 JBADHN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n(C)n1 ZINC001290564943 1069920501 /nfs/dbraw/zinc/92/05/01/1069920501.db2.gz SSGQEZCGMPCTFE-AEFFLSMTSA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)n(C)n1 ZINC001290564944 1069920620 /nfs/dbraw/zinc/92/06/20/1069920620.db2.gz SSGQEZCGMPCTFE-FUHWJXTLSA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)n(C)n1 ZINC001290564946 1069920764 /nfs/dbraw/zinc/92/07/64/1069920764.db2.gz SSGQEZCGMPCTFE-SJLPKXTDSA-N 0 3 493.638 -0.279 20 0 JBADHN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n(C)n1 ZINC001290564948 1069920686 /nfs/dbraw/zinc/92/06/86/1069920686.db2.gz SSGQEZCGMPCTFE-WMZOPIPTSA-N 0 3 493.638 -0.279 20 0 JBADHN C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291304077 1069937179 /nfs/dbraw/zinc/93/71/79/1069937179.db2.gz GMPZYIZYISEYOC-MSOLQXFVSA-N 0 3 485.655 -0.138 20 0 JBADHN C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291304078 1069937239 /nfs/dbraw/zinc/93/72/39/1069937239.db2.gz GMPZYIZYISEYOC-QZTJIDSGSA-N 0 3 485.655 -0.138 20 0 JBADHN C[C@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291304079 1069937040 /nfs/dbraw/zinc/93/70/40/1069937040.db2.gz GMPZYIZYISEYOC-ROUUACIJSA-N 0 3 485.655 -0.138 20 0 JBADHN C[C@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291304080 1069937139 /nfs/dbraw/zinc/93/71/39/1069937139.db2.gz GMPZYIZYISEYOC-ZWKOTPCHSA-N 0 3 485.655 -0.138 20 0 JBADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001291775389 1069943182 /nfs/dbraw/zinc/94/31/82/1069943182.db2.gz WRVUNVRUCBEPEI-ARFHVFGLSA-N 0 3 467.596 -0.943 20 0 JBADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001291775390 1069943155 /nfs/dbraw/zinc/94/31/55/1069943155.db2.gz WRVUNVRUCBEPEI-HRCADAONSA-N 0 3 467.596 -0.943 20 0 JBADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001291775391 1069943075 /nfs/dbraw/zinc/94/30/75/1069943075.db2.gz WRVUNVRUCBEPEI-JYJNAYRXSA-N 0 3 467.596 -0.943 20 0 JBADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001291775393 1069943226 /nfs/dbraw/zinc/94/32/26/1069943226.db2.gz WRVUNVRUCBEPEI-XHSDSOJGSA-N 0 3 467.596 -0.943 20 0 JBADHN CN(C)CCn1c2cc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)ccc2[nH]c1=O ZINC001291810948 1069944499 /nfs/dbraw/zinc/94/44/99/1069944499.db2.gz VINYOTMFBVIFPR-UHFFFAOYSA-N 0 3 456.503 -0.263 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292132989 1069948820 /nfs/dbraw/zinc/94/88/20/1069948820.db2.gz IEGMQYYPJFTQRG-AOMKIAJQSA-N 0 3 492.650 -0.219 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@]1(N(C)C)CCSC1 ZINC001292132990 1069948835 /nfs/dbraw/zinc/94/88/35/1069948835.db2.gz IEGMQYYPJFTQRG-KSFYIVLOSA-N 0 3 492.650 -0.219 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@]1(N(C)C)CCSC1 ZINC001292132991 1069948775 /nfs/dbraw/zinc/94/87/75/1069948775.db2.gz IEGMQYYPJFTQRG-OPAMFIHVSA-N 0 3 492.650 -0.219 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292132992 1069948717 /nfs/dbraw/zinc/94/87/17/1069948717.db2.gz IEGMQYYPJFTQRG-ZHRRBRCNSA-N 0 3 492.650 -0.219 20 0 JBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)[C@H](C)O)cc1 ZINC001292522172 1069952259 /nfs/dbraw/zinc/95/22/59/1069952259.db2.gz PSMVLNMUHIBSAQ-IPELMVKDSA-N 0 3 452.577 -0.037 20 0 JBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)[C@@H](C)O)cc1 ZINC001292522173 1069952211 /nfs/dbraw/zinc/95/22/11/1069952211.db2.gz PSMVLNMUHIBSAQ-LZQZEXGQSA-N 0 3 452.577 -0.037 20 0 JBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)[C@@H](C)O)cc1 ZINC001292522174 1069952183 /nfs/dbraw/zinc/95/21/83/1069952183.db2.gz PSMVLNMUHIBSAQ-MNEFBYGVSA-N 0 3 452.577 -0.037 20 0 JBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)[C@H](C)O)cc1 ZINC001292522175 1069952288 /nfs/dbraw/zinc/95/22/88/1069952288.db2.gz PSMVLNMUHIBSAQ-SNRMKQJTSA-N 0 3 452.577 -0.037 20 0 JBADHN CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001293075386 1069956063 /nfs/dbraw/zinc/95/60/63/1069956063.db2.gz MWCIXWWEYVPLGT-IBGZPJMESA-N 0 3 476.626 -0.626 20 0 JBADHN CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001293075387 1069955948 /nfs/dbraw/zinc/95/59/48/1069955948.db2.gz MWCIXWWEYVPLGT-LJQANCHMSA-N 0 3 476.626 -0.626 20 0 JBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001293080169 1069956792 /nfs/dbraw/zinc/95/67/92/1069956792.db2.gz LEHWQMQLKLEPTN-GOSISDBHSA-N 0 3 457.531 -0.071 20 0 JBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC001293080170 1069956814 /nfs/dbraw/zinc/95/68/14/1069956814.db2.gz LEHWQMQLKLEPTN-SFHVURJKSA-N 0 3 457.531 -0.071 20 0 JBADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001293083107 1069956732 /nfs/dbraw/zinc/95/67/32/1069956732.db2.gz HSOYANXITFDCOO-KRWDZBQOSA-N 0 3 480.595 -0.309 20 0 JBADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001293083108 1069956565 /nfs/dbraw/zinc/95/65/65/1069956565.db2.gz HSOYANXITFDCOO-QGZVFWFLSA-N 0 3 480.595 -0.309 20 0 JBADHN CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293085046 1069956750 /nfs/dbraw/zinc/95/67/50/1069956750.db2.gz ATXASPIGMXVOER-FQEVSTJZSA-N 0 3 490.653 -0.236 20 0 JBADHN CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293085057 1069956595 /nfs/dbraw/zinc/95/65/95/1069956595.db2.gz ATXASPIGMXVOER-HXUWFJFHSA-N 0 3 490.653 -0.236 20 0 JBADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001294521769 1069968533 /nfs/dbraw/zinc/96/85/33/1069968533.db2.gz PNXHRNWPDOXVEQ-CVEARBPZSA-N 0 3 467.596 -0.941 20 0 JBADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001294521770 1069968497 /nfs/dbraw/zinc/96/84/97/1069968497.db2.gz PNXHRNWPDOXVEQ-HOTGVXAUSA-N 0 3 467.596 -0.941 20 0 JBADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001294521771 1069969111 /nfs/dbraw/zinc/96/91/11/1069969111.db2.gz PNXHRNWPDOXVEQ-HZPDHXFCSA-N 0 3 467.596 -0.941 20 0 JBADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001294521772 1069969142 /nfs/dbraw/zinc/96/91/42/1069969142.db2.gz PNXHRNWPDOXVEQ-JKSUJKDBSA-N 0 3 467.596 -0.941 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001294656944 1069969837 /nfs/dbraw/zinc/96/98/37/1069969837.db2.gz IDRYUCFVXDLELY-DLBZAZTESA-N 0 3 492.668 -0.176 20 0 JBADHN CCCN1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001294656945 1069969745 /nfs/dbraw/zinc/96/97/45/1069969745.db2.gz IDRYUCFVXDLELY-IAGOWNOFSA-N 0 3 492.668 -0.176 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001294656946 1069969673 /nfs/dbraw/zinc/96/96/73/1069969673.db2.gz IDRYUCFVXDLELY-IRXDYDNUSA-N 0 3 492.668 -0.176 20 0 JBADHN CCCN1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001294656947 1069969799 /nfs/dbraw/zinc/96/97/99/1069969799.db2.gz IDRYUCFVXDLELY-SJORKVTESA-N 0 3 492.668 -0.176 20 0 JBADHN CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001294875823 1069971727 /nfs/dbraw/zinc/97/17/27/1069971727.db2.gz HRGKHMILARKQJO-INIZCTEOSA-N 0 3 484.627 -0.841 20 0 JBADHN CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001294875824 1069971742 /nfs/dbraw/zinc/97/17/42/1069971742.db2.gz HRGKHMILARKQJO-MRXNPFEDSA-N 0 3 484.627 -0.841 20 0 JBADHN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001294905248 1069973132 /nfs/dbraw/zinc/97/31/32/1069973132.db2.gz VTRLQPFMDCWBKU-MSOLQXFVSA-N 0 3 499.638 -0.704 20 0 JBADHN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001294905255 1069973150 /nfs/dbraw/zinc/97/31/50/1069973150.db2.gz VTRLQPFMDCWBKU-QZTJIDSGSA-N 0 3 499.638 -0.704 20 0 JBADHN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001294905257 1069973024 /nfs/dbraw/zinc/97/30/24/1069973024.db2.gz VTRLQPFMDCWBKU-ROUUACIJSA-N 0 3 499.638 -0.704 20 0 JBADHN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001294905259 1069973065 /nfs/dbraw/zinc/97/30/65/1069973065.db2.gz VTRLQPFMDCWBKU-ZWKOTPCHSA-N 0 3 499.638 -0.704 20 0 JBADHN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295055280 1069974561 /nfs/dbraw/zinc/97/45/61/1069974561.db2.gz IPHKBXQSHBMEQP-CVEARBPZSA-N 0 3 457.601 -0.475 20 0 JBADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295055282 1069974632 /nfs/dbraw/zinc/97/46/32/1069974632.db2.gz IPHKBXQSHBMEQP-HOTGVXAUSA-N 0 3 457.601 -0.475 20 0 JBADHN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295055285 1069974617 /nfs/dbraw/zinc/97/46/17/1069974617.db2.gz IPHKBXQSHBMEQP-HZPDHXFCSA-N 0 3 457.601 -0.475 20 0 JBADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295055287 1069974572 /nfs/dbraw/zinc/97/45/72/1069974572.db2.gz IPHKBXQSHBMEQP-JKSUJKDBSA-N 0 3 457.601 -0.475 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC2)CC1 ZINC001295480372 1069981647 /nfs/dbraw/zinc/98/16/47/1069981647.db2.gz LKSWLZFYWPYDBJ-HNNXBMFYSA-N 0 3 457.601 -0.596 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC2)CC1 ZINC001295480382 1069981747 /nfs/dbraw/zinc/98/17/47/1069981747.db2.gz LKSWLZFYWPYDBJ-OAHLLOKOSA-N 0 3 457.601 -0.596 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001295480590 1069981667 /nfs/dbraw/zinc/98/16/67/1069981667.db2.gz OWPKJUORECJLNY-JOCHJYFZSA-N 0 3 462.599 -0.115 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001295480593 1069981811 /nfs/dbraw/zinc/98/18/11/1069981811.db2.gz OWPKJUORECJLNY-QFIPXVFZSA-N 0 3 462.599 -0.115 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)CC1 ZINC001295480931 1069981857 /nfs/dbraw/zinc/98/18/57/1069981857.db2.gz QOKVDVKGGWCLFD-UHFFFAOYSA-N 0 3 490.609 -0.637 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(C)(=O)=O)CC1 ZINC001295481059 1069981788 /nfs/dbraw/zinc/98/17/88/1069981788.db2.gz SFFGJRZVAHFMNS-UHFFFAOYSA-N 0 3 469.612 -0.451 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC001295481066 1069981824 /nfs/dbraw/zinc/98/18/24/1069981824.db2.gz SMMSVUAUXTYWPQ-UHFFFAOYSA-N 0 3 470.578 -0.160 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)CC1 ZINC001295482771 1069981893 /nfs/dbraw/zinc/98/18/93/1069981893.db2.gz ZUJJVJXJUVKDNW-UHFFFAOYSA-N 0 3 464.596 -0.120 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCS(C)(=O)=O)CC1 ZINC001295483420 1069981973 /nfs/dbraw/zinc/98/19/73/1069981973.db2.gz FBTWYLMKWSHOEM-UHFFFAOYSA-N 0 3 450.569 -0.230 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001295483828 1069981871 /nfs/dbraw/zinc/98/18/71/1069981871.db2.gz IXIZSXXTXCIGQQ-KRWDZBQOSA-N 0 3 471.628 -0.336 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001295483829 1069981765 /nfs/dbraw/zinc/98/17/65/1069981765.db2.gz IXIZSXXTXCIGQQ-QGZVFWFLSA-N 0 3 471.628 -0.336 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001295484492 1069981910 /nfs/dbraw/zinc/98/19/10/1069981910.db2.gz OMISXKPSXPBRHM-INIZCTEOSA-N 0 3 469.612 -0.741 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001295484494 1069981734 /nfs/dbraw/zinc/98/17/34/1069981734.db2.gz OMISXKPSXPBRHM-MRXNPFEDSA-N 0 3 469.612 -0.741 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 ZINC001295484502 1069981952 /nfs/dbraw/zinc/98/19/52/1069981952.db2.gz OOPWNNPNVUEGKU-KRWDZBQOSA-N 0 3 460.583 -0.254 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 ZINC001295484503 1069982511 /nfs/dbraw/zinc/98/25/11/1069982511.db2.gz OOPWNNPNVUEGKU-QGZVFWFLSA-N 0 3 460.583 -0.254 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001295484702 1069982642 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1069991996 /nfs/dbraw/zinc/99/19/96/1069991996.db2.gz QBCYSCRVFANCRB-XSLAGTTESA-N 0 3 472.612 -0.055 20 0 JBADHN CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001296101794 1069994516 /nfs/dbraw/zinc/99/45/16/1069994516.db2.gz VJMIWZWFSJUZMV-KRWDZBQOSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001296101795 1069994381 /nfs/dbraw/zinc/99/43/81/1069994381.db2.gz VJMIWZWFSJUZMV-QGZVFWFLSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296119728 1069995062 /nfs/dbraw/zinc/99/50/62/1069995062.db2.gz ACRJZDLHONUTRC-BBWFWOEESA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296119729 1069995187 /nfs/dbraw/zinc/99/51/87/1069995187.db2.gz ACRJZDLHONUTRC-IKGGRYGDSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296119730 1069995172 /nfs/dbraw/zinc/99/51/72/1069995172.db2.gz ACRJZDLHONUTRC-ULQDDVLXSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296119731 1069995105 /nfs/dbraw/zinc/99/51/05/1069995105.db2.gz ACRJZDLHONUTRC-ZACQAIPSSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296122282 1069994988 /nfs/dbraw/zinc/99/49/88/1069994988.db2.gz VDSWKSOULVMOFD-GQIGUUNPSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296122283 1069995129 /nfs/dbraw/zinc/99/51/29/1069995129.db2.gz VDSWKSOULVMOFD-GUXCAODWSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296122284 1069995160 /nfs/dbraw/zinc/99/51/60/1069995160.db2.gz VDSWKSOULVMOFD-JXXFODFXSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296122285 1069994968 /nfs/dbraw/zinc/99/49/68/1069994968.db2.gz VDSWKSOULVMOFD-QINHECLXSA-N 0 3 470.644 -0.384 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001296131243 1069995734 /nfs/dbraw/zinc/99/57/34/1069995734.db2.gz IFMCSRCATXRFOJ-AZUAARDMSA-N 0 3 499.682 -0.154 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001296131244 1069995698 /nfs/dbraw/zinc/99/56/98/1069995698.db2.gz IFMCSRCATXRFOJ-ICSRJNTNSA-N 0 3 499.682 -0.154 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001296131245 1069995868 /nfs/dbraw/zinc/99/58/68/1069995868.db2.gz IFMCSRCATXRFOJ-QUCCMNQESA-N 0 3 499.682 -0.154 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001296131246 1069995814 /nfs/dbraw/zinc/99/58/14/1069995814.db2.gz IFMCSRCATXRFOJ-UYAOXDASSA-N 0 3 499.682 -0.154 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296131510 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/nfs/dbraw/zinc/99/56/83/1069995683.db2.gz LIBWRPFYAPBMOQ-SFHVURJKSA-N 0 3 459.599 0.000 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001296134918 1069995640 /nfs/dbraw/zinc/99/56/40/1069995640.db2.gz SLRQLTXXMZNGQD-IBGZPJMESA-N 0 3 476.626 -0.279 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001296134919 1069995787 /nfs/dbraw/zinc/99/57/87/1069995787.db2.gz SLRQLTXXMZNGQD-LJQANCHMSA-N 0 3 476.626 -0.279 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296134990 1069995881 /nfs/dbraw/zinc/99/58/81/1069995881.db2.gz UJLCKBALMZQYEQ-IBGZPJMESA-N 0 3 476.626 -0.279 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296134991 1069995717 /nfs/dbraw/zinc/99/57/17/1069995717.db2.gz UJLCKBALMZQYEQ-LJQANCHMSA-N 0 3 476.626 -0.279 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001296135026 1069996220 /nfs/dbraw/zinc/99/62/20/1069996220.db2.gz UXFOEYIQLQKYDP-GOSISDBHSA-N 0 3 476.626 -0.103 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001296135027 1069996406 /nfs/dbraw/zinc/99/64/06/1069996406.db2.gz UXFOEYIQLQKYDP-SFHVURJKSA-N 0 3 476.626 -0.103 20 0 JBADHN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCN(C)CCOC)C2)CC1 ZINC001296179970 1069997838 /nfs/dbraw/zinc/99/78/38/1069997838.db2.gz JNPKSBVWVSALGU-PMACEKPBSA-N 0 3 483.683 -0.025 20 0 JBADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCN(C)CCOC)C2)CC1 ZINC001296179971 1069998090 /nfs/dbraw/zinc/99/80/90/1069998090.db2.gz JNPKSBVWVSALGU-UXHICEINSA-N 0 3 483.683 -0.025 20 0 JBADHN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCN(C)CCOC)C2)CC1 ZINC001296179972 1069998002 /nfs/dbraw/zinc/99/80/02/1069998002.db2.gz JNPKSBVWVSALGU-VQTJNVASSA-N 0 3 483.683 -0.025 20 0 JBADHN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCN(C)CCOC)C2)CC1 ZINC001296179973 1069997749 /nfs/dbraw/zinc/99/77/49/1069997749.db2.gz JNPKSBVWVSALGU-WOJBJXKFSA-N 0 3 483.683 -0.025 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185691 1069998682 /nfs/dbraw/zinc/99/86/82/1069998682.db2.gz QOUZCGOAVWNDNH-BZSNNMDCSA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185694 1069998529 /nfs/dbraw/zinc/99/85/29/1069998529.db2.gz QOUZCGOAVWNDNH-KSZLIROESA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185696 1069999237 /nfs/dbraw/zinc/99/92/37/1069999237.db2.gz QOUZCGOAVWNDNH-KURKYZTESA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185698 1069999135 /nfs/dbraw/zinc/99/91/35/1069999135.db2.gz QOUZCGOAVWNDNH-SQNIBIBYSA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296186030 1069999375 /nfs/dbraw/zinc/99/93/75/1069999375.db2.gz SDDWQLFBOJIWDD-MSOLQXFVSA-N 0 3 464.615 -0.359 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296186031 1069999221 /nfs/dbraw/zinc/99/92/21/1069999221.db2.gz SDDWQLFBOJIWDD-QZTJIDSGSA-N 0 3 464.615 -0.359 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296186032 1069999122 /nfs/dbraw/zinc/99/91/22/1069999122.db2.gz SDDWQLFBOJIWDD-ROUUACIJSA-N 0 3 464.615 -0.359 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296186033 1069999325 /nfs/dbraw/zinc/99/93/25/1069999325.db2.gz SDDWQLFBOJIWDD-ZWKOTPCHSA-N 0 3 464.615 -0.359 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296186733 1069999099 /nfs/dbraw/zinc/99/90/99/1069999099.db2.gz ZAHREIATMYKOSA-CSODHUTKSA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296186734 1069999190 /nfs/dbraw/zinc/99/91/90/1069999190.db2.gz ZAHREIATMYKOSA-FIKGOQFSSA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296186735 1069999273 /nfs/dbraw/zinc/99/92/73/1069999273.db2.gz ZAHREIATMYKOSA-FVJLSDCUSA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296186736 1069999363 /nfs/dbraw/zinc/99/93/63/1069999363.db2.gz ZAHREIATMYKOSA-XGHQBKJUSA-N 0 3 484.671 -0.136 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296186747 1069999208 /nfs/dbraw/zinc/99/92/08/1069999208.db2.gz ZHEMPKKAQRVWSC-BZSNNMDCSA-N 0 3 497.670 -0.624 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296186748 1069999292 /nfs/dbraw/zinc/99/92/92/1069999292.db2.gz ZHEMPKKAQRVWSC-KSZLIROESA-N 0 3 497.670 -0.624 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296186749 1069999168 /nfs/dbraw/zinc/99/91/68/1069999168.db2.gz ZHEMPKKAQRVWSC-OKZBNKHCSA-N 0 3 497.670 -0.624 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296186750 1069999147 /nfs/dbraw/zinc/99/91/47/1069999147.db2.gz ZHEMPKKAQRVWSC-RCCFBDPRSA-N 0 3 497.670 -0.624 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296191884 1069999892 /nfs/dbraw/zinc/99/98/92/1069999892.db2.gz CNXBAUKMBRGSRO-BZSNNMDCSA-N 0 3 462.599 -0.546 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296191885 1070000388 /nfs/dbraw/zinc/00/03/88/1070000388.db2.gz CNXBAUKMBRGSRO-KSZLIROESA-N 0 3 462.599 -0.546 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296191886 1070000216 /nfs/dbraw/zinc/00/02/16/1070000216.db2.gz CNXBAUKMBRGSRO-OKZBNKHCSA-N 0 3 462.599 -0.546 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296191887 1069999776 /nfs/dbraw/zinc/99/97/76/1069999776.db2.gz CNXBAUKMBRGSRO-RCCFBDPRSA-N 0 3 462.599 -0.546 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296196183 1069999992 /nfs/dbraw/zinc/99/99/92/1069999992.db2.gz XPKMRJKUBHBTDA-FQEVSTJZSA-N 0 3 490.653 -0.031 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296196185 1070000326 /nfs/dbraw/zinc/00/03/26/1070000326.db2.gz XPKMRJKUBHBTDA-HXUWFJFHSA-N 0 3 490.653 -0.031 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296202239 1069999803 /nfs/dbraw/zinc/99/98/03/1069999803.db2.gz BSOHPWOYMRBCKJ-DLBZAZTESA-N 0 3 483.643 -0.870 20 0 JBADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296202244 1069999822 /nfs/dbraw/zinc/99/98/22/1069999822.db2.gz BSOHPWOYMRBCKJ-IAGOWNOFSA-N 0 3 483.643 -0.870 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296202245 1070001169 /nfs/dbraw/zinc/00/11/69/1070001169.db2.gz BSOHPWOYMRBCKJ-IRXDYDNUSA-N 0 3 483.643 -0.870 20 0 JBADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296202246 1070001502 /nfs/dbraw/zinc/00/15/02/1070001502.db2.gz BSOHPWOYMRBCKJ-SJORKVTESA-N 0 3 483.643 -0.870 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202272 1070000940 /nfs/dbraw/zinc/00/09/40/1070000940.db2.gz CKSSRRRUOXWYGA-KRWDZBQOSA-N 0 3 470.644 -0.416 20 0 JBADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202274 1070001448 /nfs/dbraw/zinc/00/14/48/1070001448.db2.gz CKSSRRRUOXWYGA-QGZVFWFLSA-N 0 3 470.644 -0.416 20 0 JBADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296202585 1070001613 /nfs/dbraw/zinc/00/16/13/1070001613.db2.gz GHSLWOPOLCIJNR-GOSISDBHSA-N 0 3 484.671 -0.026 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296202586 1070001222 /nfs/dbraw/zinc/00/12/22/1070001222.db2.gz GHSLWOPOLCIJNR-SFHVURJKSA-N 0 3 484.671 -0.026 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296203566 1070001396 /nfs/dbraw/zinc/00/13/96/1070001396.db2.gz BNOFIQFMYIJSGW-DYESRHJHSA-N 0 3 467.640 -0.091 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296203567 1070001082 /nfs/dbraw/zinc/00/10/82/1070001082.db2.gz BNOFIQFMYIJSGW-LAUBAEHRSA-N 0 3 467.640 -0.091 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296203568 1070001322 /nfs/dbraw/zinc/00/13/22/1070001322.db2.gz BNOFIQFMYIJSGW-UTKZUKDTSA-N 0 3 467.640 -0.091 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296203569 1070000767 /nfs/dbraw/zinc/00/07/67/1070000767.db2.gz BNOFIQFMYIJSGW-UWJYYQICSA-N 0 3 467.640 -0.091 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001296203605 1070001253 /nfs/dbraw/zinc/00/12/53/1070001253.db2.gz CMRLXELBYINRDN-KRWDZBQOSA-N 0 3 458.654 -0.224 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001296203606 1070001657 /nfs/dbraw/zinc/00/16/57/1070001657.db2.gz CMRLXELBYINRDN-QGZVFWFLSA-N 0 3 458.654 -0.224 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001296204065 1070000824 /nfs/dbraw/zinc/00/08/24/1070000824.db2.gz QUEOBDIWGLXNLO-BZSNNMDCSA-N 0 3 482.655 -0.369 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)CC1 ZINC001296204066 1070000999 /nfs/dbraw/zinc/00/09/99/1070000999.db2.gz QUEOBDIWGLXNLO-KSZLIROESA-N 0 3 482.655 -0.369 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001296204067 1070001555 /nfs/dbraw/zinc/00/15/55/1070001555.db2.gz QUEOBDIWGLXNLO-OKZBNKHCSA-N 0 3 482.655 -0.369 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001296204068 1070000886 /nfs/dbraw/zinc/00/08/86/1070000886.db2.gz QUEOBDIWGLXNLO-RCCFBDPRSA-N 0 3 482.655 -0.369 20 0 JBADHN 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CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001299157265 1067665298 /nfs/dbraw/zinc/66/52/98/1067665298.db2.gz XNQAPSCZOJZEMR-KRWDZBQOSA-N 0 3 462.599 -0.622 20 0 JBADHN CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001299157269 1067665203 /nfs/dbraw/zinc/66/52/03/1067665203.db2.gz XNQAPSCZOJZEMR-QGZVFWFLSA-N 0 3 462.599 -0.622 20 0 JBADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001299159940 1067670951 /nfs/dbraw/zinc/67/09/51/1067670951.db2.gz XOXREEUCJRTITN-FHWLQOOXSA-N 0 3 479.626 -0.021 20 0 JBADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001299159944 1067670923 /nfs/dbraw/zinc/67/09/23/1067670923.db2.gz XOXREEUCJRTITN-OTWHNJEPSA-N 0 3 479.626 -0.021 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299232296 1068351307 /nfs/dbraw/zinc/35/13/07/1068351307.db2.gz KTUBHSVAAZJKAZ-BQFCYCMXSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001299232297 1068351111 /nfs/dbraw/zinc/35/11/11/1068351111.db2.gz KTUBHSVAAZJKAZ-RYRKJORJSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001299232298 1068351496 /nfs/dbraw/zinc/35/14/96/1068351496.db2.gz KTUBHSVAAZJKAZ-SOLBZPMBSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001299232299 1068351162 /nfs/dbraw/zinc/35/11/62/1068351162.db2.gz KTUBHSVAAZJKAZ-XYJFISCASA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001299232702 1068351254 /nfs/dbraw/zinc/35/12/54/1068351254.db2.gz OANTXTKGLWBTLL-UHFFFAOYSA-N 0 3 469.550 -0.194 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001299234021 1068351222 /nfs/dbraw/zinc/35/12/22/1068351222.db2.gz YBDGCIOHJXVHMX-DLBZAZTESA-N 0 3 470.644 -0.371 20 0 JBADHN CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001299234022 1068351061 /nfs/dbraw/zinc/35/10/61/1068351061.db2.gz YBDGCIOHJXVHMX-IAGOWNOFSA-N 0 3 470.644 -0.371 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001299234023 1068351366 /nfs/dbraw/zinc/35/13/66/1068351366.db2.gz YBDGCIOHJXVHMX-IRXDYDNUSA-N 0 3 470.644 -0.371 20 0 JBADHN CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001299234024 1068351414 /nfs/dbraw/zinc/35/14/14/1068351414.db2.gz YBDGCIOHJXVHMX-SJORKVTESA-N 0 3 470.644 -0.371 20 0 JBADHN CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001299250648 1068352394 /nfs/dbraw/zinc/35/23/94/1068352394.db2.gz DZMAWSJXCBUILB-GOSISDBHSA-N 0 3 499.638 -0.704 20 0 JBADHN CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001299250649 1068352293 /nfs/dbraw/zinc/35/22/93/1068352293.db2.gz DZMAWSJXCBUILB-SFHVURJKSA-N 0 3 499.638 -0.704 20 0 JBADHN CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001299282469 1068419366 /nfs/dbraw/zinc/41/93/66/1068419366.db2.gz LOFUXSLKOGLCDU-KRWDZBQOSA-N 0 3 482.655 -0.332 20 0 JBADHN CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001299282470 1068419409 /nfs/dbraw/zinc/41/94/09/1068419409.db2.gz LOFUXSLKOGLCDU-QGZVFWFLSA-N 0 3 482.655 -0.332 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001299296520 1068432413 /nfs/dbraw/zinc/43/24/13/1068432413.db2.gz OOCOHOOYWLFJQM-MRXNPFEDSA-N 0 3 469.612 -0.247 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001299296823 1068433627 /nfs/dbraw/zinc/43/36/27/1068433627.db2.gz QMECQYQGQZRHHC-UHFFFAOYSA-N 0 3 469.612 -0.388 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 ZINC001299296991 1068433645 /nfs/dbraw/zinc/43/36/45/1068433645.db2.gz PCVXCTZHPNJHKG-HNNXBMFYSA-N 0 3 477.657 -0.108 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 ZINC001299296993 1068433455 /nfs/dbraw/zinc/43/34/55/1068433455.db2.gz PCVXCTZHPNJHKG-OAHLLOKOSA-N 0 3 477.657 -0.108 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001299306125 1068476698 /nfs/dbraw/zinc/47/66/98/1068476698.db2.gz MJEYJVJZYQVQCV-APWZRJJASA-N 0 3 493.638 -0.393 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299306126 1068476931 /nfs/dbraw/zinc/47/69/31/1068476931.db2.gz MJEYJVJZYQVQCV-LPHOPBHVSA-N 0 3 493.638 -0.393 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001299306127 1068477095 /nfs/dbraw/zinc/47/70/95/1068477095.db2.gz MJEYJVJZYQVQCV-QFBILLFUSA-N 0 3 493.638 -0.393 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001299306128 1068476855 /nfs/dbraw/zinc/47/68/55/1068476855.db2.gz MJEYJVJZYQVQCV-VQIMIIECSA-N 0 3 493.638 -0.393 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001299306888 1068477524 /nfs/dbraw/zinc/47/75/24/1068477524.db2.gz WTUOFIKBOMBDOP-UHFFFAOYSA-N 0 3 450.569 -0.433 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001299314402 1068479758 /nfs/dbraw/zinc/47/97/58/1068479758.db2.gz GAEXTWXSIXXPCK-MSOLQXFVSA-N 0 3 455.629 -0.064 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001299314403 1068479659 /nfs/dbraw/zinc/47/96/59/1068479659.db2.gz GAEXTWXSIXXPCK-QZTJIDSGSA-N 0 3 455.629 -0.064 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001299314404 1068479642 /nfs/dbraw/zinc/47/96/42/1068479642.db2.gz GAEXTWXSIXXPCK-ROUUACIJSA-N 0 3 455.629 -0.064 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001299314405 1068479768 /nfs/dbraw/zinc/47/97/68/1068479768.db2.gz GAEXTWXSIXXPCK-ZWKOTPCHSA-N 0 3 455.629 -0.064 20 0 JBADHN COC(=O)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299361280 1069020422 /nfs/dbraw/zinc/02/04/22/1069020422.db2.gz PFQZPFKGZCHBBK-CVEARBPZSA-N 0 3 471.628 -0.086 20 0 JBADHN COC(=O)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299361281 1069020723 /nfs/dbraw/zinc/02/07/23/1069020723.db2.gz PFQZPFKGZCHBBK-HOTGVXAUSA-N 0 3 471.628 -0.086 20 0 JBADHN COC(=O)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299361282 1069020514 /nfs/dbraw/zinc/02/05/14/1069020514.db2.gz PFQZPFKGZCHBBK-HZPDHXFCSA-N 0 3 471.628 -0.086 20 0 JBADHN COC(=O)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299361283 1069020248 /nfs/dbraw/zinc/02/02/48/1069020248.db2.gz PFQZPFKGZCHBBK-JKSUJKDBSA-N 0 3 471.628 -0.086 20 0 JBADHN CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001299561677 1069740016 /nfs/dbraw/zinc/74/00/16/1069740016.db2.gz LXBRYQSPJYADEU-FGTMMUONSA-N 0 3 472.612 -0.196 20 0 JBADHN CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001299561678 1069740165 /nfs/dbraw/zinc/74/01/65/1069740165.db2.gz LXBRYQSPJYADEU-KURKYZTESA-N 0 3 472.612 -0.196 20 0 JBADHN CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001299561679 1069739806 /nfs/dbraw/zinc/73/98/06/1069739806.db2.gz LXBRYQSPJYADEU-KZNAEPCWSA-N 0 3 472.612 -0.196 20 0 JBADHN CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001299561680 1069739949 /nfs/dbraw/zinc/73/99/49/1069739949.db2.gz LXBRYQSPJYADEU-SQNIBIBYSA-N 0 3 472.612 -0.196 20 0 JBADHN CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001299565629 1069740224 /nfs/dbraw/zinc/74/02/24/1069740224.db2.gz WOWJZOBMWCJMHW-DLBZAZTESA-N 0 3 454.597 -0.041 20 0 JBADHN CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001299565630 1069740292 /nfs/dbraw/zinc/74/02/92/1069740292.db2.gz WOWJZOBMWCJMHW-IAGOWNOFSA-N 0 3 454.597 -0.041 20 0 JBADHN CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001299565631 1069739903 /nfs/dbraw/zinc/73/99/03/1069739903.db2.gz WOWJZOBMWCJMHW-IRXDYDNUSA-N 0 3 454.597 -0.041 20 0 JBADHN CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001299565632 1069739839 /nfs/dbraw/zinc/73/98/39/1069739839.db2.gz WOWJZOBMWCJMHW-SJORKVTESA-N 0 3 454.597 -0.041 20 0 JBADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001300875607 1070103614 /nfs/dbraw/zinc/10/36/14/1070103614.db2.gz ZPNYAUCEQFFVFG-KRWDZBQOSA-N 0 3 451.572 -0.442 20 0 JBADHN COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 ZINC001300875608 1070103813 /nfs/dbraw/zinc/10/38/13/1070103813.db2.gz ZPNYAUCEQFFVFG-QGZVFWFLSA-N 0 3 451.572 -0.442 20 0 JBADHN COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301435396 1070123049 /nfs/dbraw/zinc/12/30/49/1070123049.db2.gz XEBBITKFCGMRTB-HTAPYJJXSA-N 0 3 465.599 -0.053 20 0 JBADHN COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301435397 1070123144 /nfs/dbraw/zinc/12/31/44/1070123144.db2.gz XEBBITKFCGMRTB-JTSKRJEESA-N 0 3 465.599 -0.053 20 0 JBADHN COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301435398 1070123093 /nfs/dbraw/zinc/12/30/93/1070123093.db2.gz XEBBITKFCGMRTB-VGOFRKELSA-N 0 3 465.599 -0.053 20 0 JBADHN COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301435399 1070123232 /nfs/dbraw/zinc/12/32/32/1070123232.db2.gz XEBBITKFCGMRTB-VGSWGCGISA-N 0 3 465.599 -0.053 20 0 JBADHN COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301460894 1070125638 /nfs/dbraw/zinc/12/56/38/1070125638.db2.gz YETRUIIFUYGPDT-HSZRJFAPSA-N 0 3 477.610 -0.068 20 0 JBADHN COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301460903 1070125735 /nfs/dbraw/zinc/12/57/35/1070125735.db2.gz YETRUIIFUYGPDT-QHCPKHFHSA-N 0 3 477.610 -0.068 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001301707043 1070142113 /nfs/dbraw/zinc/14/21/13/1070142113.db2.gz AVBDADRMFGCIRX-AEFFLSMTSA-N 0 3 462.599 -0.117 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001301707045 1070142297 /nfs/dbraw/zinc/14/22/97/1070142297.db2.gz AVBDADRMFGCIRX-FUHWJXTLSA-N 0 3 462.599 -0.117 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001301707046 1070142213 /nfs/dbraw/zinc/14/22/13/1070142213.db2.gz AVBDADRMFGCIRX-SJLPKXTDSA-N 0 3 462.599 -0.117 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001301707047 1070142035 /nfs/dbraw/zinc/14/20/35/1070142035.db2.gz AVBDADRMFGCIRX-WMZOPIPTSA-N 0 3 462.599 -0.117 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001301709011 1070142183 /nfs/dbraw/zinc/14/21/83/1070142183.db2.gz RHJLIOUHLJONLH-AEFFLSMTSA-N 0 3 498.654 -0.656 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCNS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001301709012 1070142279 /nfs/dbraw/zinc/14/22/79/1070142279.db2.gz RHJLIOUHLJONLH-FUHWJXTLSA-N 0 3 498.654 -0.656 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001301709013 1070142066 /nfs/dbraw/zinc/14/20/66/1070142066.db2.gz RHJLIOUHLJONLH-SJLPKXTDSA-N 0 3 498.654 -0.656 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCNS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001301709014 1070142148 /nfs/dbraw/zinc/14/21/48/1070142148.db2.gz RHJLIOUHLJONLH-WMZOPIPTSA-N 0 3 498.654 -0.656 20 0 JBADHN CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301713889 1070143191 /nfs/dbraw/zinc/14/31/91/1070143191.db2.gz JCQIVILTXJVIGK-INIZCTEOSA-N 0 3 470.644 -0.417 20 0 JBADHN CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301713890 1070143218 /nfs/dbraw/zinc/14/32/18/1070143218.db2.gz JCQIVILTXJVIGK-MRXNPFEDSA-N 0 3 470.644 -0.417 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001301730480 1070145241 /nfs/dbraw/zinc/14/52/41/1070145241.db2.gz AJCFGMDIQRDDCP-IBGZPJMESA-N 0 3 476.626 -0.058 20 0 JBADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001301730481 1070145346 /nfs/dbraw/zinc/14/53/46/1070145346.db2.gz AJCFGMDIQRDDCP-LJQANCHMSA-N 0 3 476.626 -0.058 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001301731842 1070145387 /nfs/dbraw/zinc/14/53/87/1070145387.db2.gz OYDAQAOKPHEXGN-GOSISDBHSA-N 0 3 465.599 -0.077 20 0 JBADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001301731844 1070145204 /nfs/dbraw/zinc/14/52/04/1070145204.db2.gz OYDAQAOKPHEXGN-SFHVURJKSA-N 0 3 465.599 -0.077 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 ZINC001301732693 1070145130 /nfs/dbraw/zinc/14/51/30/1070145130.db2.gz BWCTXJHYXCIEMG-KRWDZBQOSA-N 0 3 472.612 -0.194 20 0 JBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 ZINC001301732694 1070145110 /nfs/dbraw/zinc/14/51/10/1070145110.db2.gz BWCTXJHYXCIEMG-QGZVFWFLSA-N 0 3 472.612 -0.194 20 0 JBADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301733764 1070145090 /nfs/dbraw/zinc/14/50/90/1070145090.db2.gz IOTJYOCJZJVHRS-UHFFFAOYSA-N 0 3 470.578 -0.231 20 0 JBADHN CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001301739141 1070148667 /nfs/dbraw/zinc/14/86/67/1070148667.db2.gz WDIPLOWJONAMTM-GOSISDBHSA-N 0 3 469.612 -0.235 20 0 JBADHN CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001301739142 1070148695 /nfs/dbraw/zinc/14/86/95/1070148695.db2.gz WDIPLOWJONAMTM-SFHVURJKSA-N 0 3 469.612 -0.235 20 0 JBADHN COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001301739726 1070149563 /nfs/dbraw/zinc/14/95/63/1070149563.db2.gz DKMVLQONZQBWKC-LJQANCHMSA-N 0 3 465.599 -0.311 20 0 JBADHN CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001301763769 1070150268 /nfs/dbraw/zinc/15/02/68/1070150268.db2.gz JPHCNNMPVNJFMP-GOSISDBHSA-N 0 3 484.671 -0.170 20 0 JBADHN CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001301763774 1070150175 /nfs/dbraw/zinc/15/01/75/1070150175.db2.gz JPHCNNMPVNJFMP-SFHVURJKSA-N 0 3 484.671 -0.170 20 0 JBADHN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301834979 1070156613 /nfs/dbraw/zinc/15/66/13/1070156613.db2.gz ICXGZOAENDGCLH-MOPGFXCFSA-N 0 3 485.655 -0.138 20 0 JBADHN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301834980 1070156697 /nfs/dbraw/zinc/15/66/97/1070156697.db2.gz ICXGZOAENDGCLH-OALUTQOASA-N 0 3 485.655 -0.138 20 0 JBADHN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301834981 1070156789 /nfs/dbraw/zinc/15/67/89/1070156789.db2.gz ICXGZOAENDGCLH-RBUKOAKNSA-N 0 3 485.655 -0.138 20 0 JBADHN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301834982 1070156747 /nfs/dbraw/zinc/15/67/47/1070156747.db2.gz ICXGZOAENDGCLH-RTBURBONSA-N 0 3 485.655 -0.138 20 0 JBADHN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301836550 1070157768 /nfs/dbraw/zinc/15/77/68/1070157768.db2.gz HQZDYVZADXJOFJ-KRWDZBQOSA-N 0 3 485.611 -0.998 20 0 JBADHN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301836551 1070157472 /nfs/dbraw/zinc/15/74/72/1070157472.db2.gz HQZDYVZADXJOFJ-QGZVFWFLSA-N 0 3 485.611 -0.998 20 0 JBADHN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001301837222 1070157841 /nfs/dbraw/zinc/15/78/41/1070157841.db2.gz XYFLDXJSGPWVAO-DLBZAZTESA-N 0 3 458.585 -0.584 20 0 JBADHN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001301837223 1070157659 /nfs/dbraw/zinc/15/76/59/1070157659.db2.gz XYFLDXJSGPWVAO-IAGOWNOFSA-N 0 3 458.585 -0.584 20 0 JBADHN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001301837224 1070157607 /nfs/dbraw/zinc/15/76/07/1070157607.db2.gz XYFLDXJSGPWVAO-IRXDYDNUSA-N 0 3 458.585 -0.584 20 0 JBADHN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001301837228 1070157822 /nfs/dbraw/zinc/15/78/22/1070157822.db2.gz XYFLDXJSGPWVAO-SJORKVTESA-N 0 3 458.585 -0.584 20 0 JBADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001301894145 1070169850 /nfs/dbraw/zinc/16/98/50/1070169850.db2.gz XLMHBSLLRCLRMX-IBGZPJMESA-N 0 3 476.626 -0.119 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001301894146 1070169765 /nfs/dbraw/zinc/16/97/65/1070169765.db2.gz XLMHBSLLRCLRMX-LJQANCHMSA-N 0 3 476.626 -0.119 20 0 JBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCN3CC[C@H](O)C3)CC2)cc1 ZINC001301978028 1070184828 /nfs/dbraw/zinc/18/48/28/1070184828.db2.gz OYKAXOZZDAIJDU-SFHVURJKSA-N 0 3 452.577 -0.209 20 0 JBADHN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)N(C)C ZINC001302077332 1070189872 /nfs/dbraw/zinc/18/98/72/1070189872.db2.gz DDFYMQPGGKGONS-KRWDZBQOSA-N 0 3 451.572 -0.165 20 0 JBADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)N(C)C ZINC001302077333 1070189735 /nfs/dbraw/zinc/18/97/35/1070189735.db2.gz DDFYMQPGGKGONS-QGZVFWFLSA-N 0 3 451.572 -0.165 20 0 JBADHN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCCN1CC[C@@H](O)C1 ZINC001302178702 1070193434 /nfs/dbraw/zinc/19/34/34/1070193434.db2.gz YRBSMAZWXSJECV-QGZVFWFLSA-N 0 3 456.540 -0.378 20 0 JBADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001302305524 1070199090 /nfs/dbraw/zinc/19/90/90/1070199090.db2.gz PJPLQEZGTVFHKX-HKUYNNGSSA-N 0 3 484.623 -0.209 20 0 JBADHN CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302347759 1070201355 /nfs/dbraw/zinc/20/13/55/1070201355.db2.gz LEFMBAOAPYDFIH-CVEARBPZSA-N 0 3 473.600 -0.449 20 0 JBADHN CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302347760 1070201549 /nfs/dbraw/zinc/20/15/49/1070201549.db2.gz LEFMBAOAPYDFIH-HOTGVXAUSA-N 0 3 473.600 -0.449 20 0 JBADHN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302347761 1070201313 /nfs/dbraw/zinc/20/13/13/1070201313.db2.gz LEFMBAOAPYDFIH-HZPDHXFCSA-N 0 3 473.600 -0.449 20 0 JBADHN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302347762 1070201248 /nfs/dbraw/zinc/20/12/48/1070201248.db2.gz LEFMBAOAPYDFIH-JKSUJKDBSA-N 0 3 473.600 -0.449 20 0 JBADHN CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302359711 1070201464 /nfs/dbraw/zinc/20/14/64/1070201464.db2.gz WROVQLZNNVXGBB-MSOLQXFVSA-N 0 3 486.639 -0.070 20 0 JBADHN CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302359712 1070201578 /nfs/dbraw/zinc/20/15/78/1070201578.db2.gz WROVQLZNNVXGBB-QZTJIDSGSA-N 0 3 486.639 -0.070 20 0 JBADHN CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302359713 1070201281 /nfs/dbraw/zinc/20/12/81/1070201281.db2.gz WROVQLZNNVXGBB-ROUUACIJSA-N 0 3 486.639 -0.070 20 0 JBADHN CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302359714 1070201384 /nfs/dbraw/zinc/20/13/84/1070201384.db2.gz WROVQLZNNVXGBB-ZWKOTPCHSA-N 0 3 486.639 -0.070 20 0 JBADHN CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1OC ZINC001302406727 1070203708 /nfs/dbraw/zinc/20/37/08/1070203708.db2.gz GLMYWNSZSGDDPY-YESZJQIVSA-N 0 3 473.644 -0.236 20 0 JBADHN CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1OC ZINC001302406811 1070203450 /nfs/dbraw/zinc/20/34/50/1070203450.db2.gz GLMYWNSZSGDDPY-ZACQAIPSSA-N 0 3 473.644 -0.236 20 0 JBADHN CC(C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302462994 1070207184 /nfs/dbraw/zinc/20/71/84/1070207184.db2.gz VRWQXPKPGMWCQV-INIZCTEOSA-N 0 3 471.628 -0.039 20 0 JBADHN CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302462995 1070207452 /nfs/dbraw/zinc/20/74/52/1070207452.db2.gz VRWQXPKPGMWCQV-MRXNPFEDSA-N 0 3 471.628 -0.039 20 0 JBADHN CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302467068 1070208533 /nfs/dbraw/zinc/20/85/33/1070208533.db2.gz GCVSVOFXBZCLII-KRWDZBQOSA-N 0 3 460.583 -0.254 20 0 JBADHN CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302467070 1070208669 /nfs/dbraw/zinc/20/86/69/1070208669.db2.gz GCVSVOFXBZCLII-QGZVFWFLSA-N 0 3 460.583 -0.254 20 0 JBADHN CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302468544 1070210070 /nfs/dbraw/zinc/21/00/70/1070210070.db2.gz FAMOLSHEEWJQBX-UHFFFAOYSA-N 0 3 467.596 -0.811 20 0 JBADHN CS(=O)(=O)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302470273 1070210582 /nfs/dbraw/zinc/21/05/82/1070210582.db2.gz OGBBKACJVIUHLE-GOSISDBHSA-N 0 3 484.623 -0.266 20 0 JBADHN CS(=O)(=O)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302470274 1070210571 /nfs/dbraw/zinc/21/05/71/1070210571.db2.gz OGBBKACJVIUHLE-SFHVURJKSA-N 0 3 484.623 -0.266 20 0 JBADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CCCCC2)C1 ZINC001302481149 1070215227 /nfs/dbraw/zinc/21/52/27/1070215227.db2.gz XZYODMFCDZSNFU-DLBZAZTESA-N 0 3 469.612 -0.201 20 0 JBADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CCCCC2)C1 ZINC001302481150 1070215298 /nfs/dbraw/zinc/21/52/98/1070215298.db2.gz XZYODMFCDZSNFU-IAGOWNOFSA-N 0 3 469.612 -0.201 20 0 JBADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CCCCC2)C1 ZINC001302481151 1070215367 /nfs/dbraw/zinc/21/53/67/1070215367.db2.gz XZYODMFCDZSNFU-IRXDYDNUSA-N 0 3 469.612 -0.201 20 0 JBADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CCCCC2)C1 ZINC001302481152 1070215471 /nfs/dbraw/zinc/21/54/71/1070215471.db2.gz XZYODMFCDZSNFU-SJORKVTESA-N 0 3 469.612 -0.201 20 0 JBADHN CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302497334 1070221796 /nfs/dbraw/zinc/22/17/96/1070221796.db2.gz GOJHLLJKHDIQQY-UHFFFAOYSA-N 0 3 478.579 -0.224 20 0 JBADHN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302499283 1070222461 /nfs/dbraw/zinc/22/24/61/1070222461.db2.gz NWIRWHAWJPWAEO-INIZCTEOSA-N 0 3 455.585 -0.778 20 0 JBADHN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302499285 1070222400 /nfs/dbraw/zinc/22/24/00/1070222400.db2.gz NWIRWHAWJPWAEO-MRXNPFEDSA-N 0 3 455.585 -0.778 20 0 JBADHN CS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302499368 1070222345 /nfs/dbraw/zinc/22/23/45/1070222345.db2.gz OXPGDJONFCXYDL-UHFFFAOYSA-N 0 3 490.634 -0.052 20 0 JBADHN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302499918 1070223035 /nfs/dbraw/zinc/22/30/35/1070223035.db2.gz RVQPHGCDPUCTLD-KRWDZBQOSA-N 0 3 469.612 -0.502 20 0 JBADHN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 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CC(C)N1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841689 1070271249 /nfs/dbraw/zinc/27/12/49/1070271249.db2.gz XHRRRPQMFFYJOI-QZTJIDSGSA-N 0 3 484.671 -0.029 20 0 JBADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841911 1070271194 /nfs/dbraw/zinc/27/11/94/1070271194.db2.gz XHRRRPQMFFYJOI-ROUUACIJSA-N 0 3 484.671 -0.029 20 0 JBADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841914 1070271457 /nfs/dbraw/zinc/27/14/57/1070271457.db2.gz XHRRRPQMFFYJOI-ZWKOTPCHSA-N 0 3 484.671 -0.029 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303843794 1070272373 /nfs/dbraw/zinc/27/23/73/1070272373.db2.gz MEQBREPRMHDGIR-HRAATJIYSA-N 0 3 482.655 -0.369 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303843795 1070272641 /nfs/dbraw/zinc/27/26/41/1070272641.db2.gz MEQBREPRMHDGIR-IERDGZPVSA-N 0 3 482.655 -0.369 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303843796 1070272752 /nfs/dbraw/zinc/27/27/52/1070272752.db2.gz MEQBREPRMHDGIR-IIBYNOLFSA-N 0 3 482.655 -0.369 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303843797 1070272520 /nfs/dbraw/zinc/27/25/20/1070272520.db2.gz MEQBREPRMHDGIR-KKSFZXQISA-N 0 3 482.655 -0.369 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCOC1 ZINC001303856015 1070274486 /nfs/dbraw/zinc/27/44/86/1070274486.db2.gz DCBGBQJGONPDGZ-BBWFWOEESA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCOC1 ZINC001303856016 1070274379 /nfs/dbraw/zinc/27/43/79/1070274379.db2.gz DCBGBQJGONPDGZ-GVDBMIGSSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CCOC1 ZINC001303856017 1070274166 /nfs/dbraw/zinc/27/41/66/1070274166.db2.gz DCBGBQJGONPDGZ-ULQDDVLXSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CCOC1 ZINC001303856019 1070274307 /nfs/dbraw/zinc/27/43/07/1070274307.db2.gz DCBGBQJGONPDGZ-YESZJQIVSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(C)COC1 ZINC001303858526 1070277104 /nfs/dbraw/zinc/27/71/04/1070277104.db2.gz UNJJLQZOJCPSHE-CVEARBPZSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(C)COC1 ZINC001303858527 1070277382 /nfs/dbraw/zinc/27/73/82/1070277382.db2.gz UNJJLQZOJCPSHE-HOTGVXAUSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(C)COC1 ZINC001303858528 1070277051 /nfs/dbraw/zinc/27/70/51/1070277051.db2.gz UNJJLQZOJCPSHE-HZPDHXFCSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(C)COC1 ZINC001303858529 1070277230 /nfs/dbraw/zinc/27/72/30/1070277230.db2.gz UNJJLQZOJCPSHE-JKSUJKDBSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC1(O)CCC1 ZINC001303858958 1070277958 /nfs/dbraw/zinc/27/79/58/1070277958.db2.gz YTHSWRZDNPDXBY-DLBZAZTESA-N 0 3 483.639 -0.064 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC1(O)CCC1 ZINC001303858959 1070277735 /nfs/dbraw/zinc/27/77/35/1070277735.db2.gz YTHSWRZDNPDXBY-IAGOWNOFSA-N 0 3 483.639 -0.064 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC1(O)CCC1 ZINC001303858960 1070277998 /nfs/dbraw/zinc/27/79/98/1070277998.db2.gz YTHSWRZDNPDXBY-IRXDYDNUSA-N 0 3 483.639 -0.064 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC1(O)CCC1 ZINC001303858961 1070277778 /nfs/dbraw/zinc/27/77/78/1070277778.db2.gz YTHSWRZDNPDXBY-SJORKVTESA-N 0 3 483.639 -0.064 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC1(O)CCC1 ZINC001303859270 1070278349 /nfs/dbraw/zinc/27/83/49/1070278349.db2.gz LIMKVQWGSHIGMR-KRWDZBQOSA-N 0 3 483.639 -0.062 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC1(O)CCC1 ZINC001303859271 1070278642 /nfs/dbraw/zinc/27/86/42/1070278642.db2.gz LIMKVQWGSHIGMR-QGZVFWFLSA-N 0 3 483.639 -0.062 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(C)COC1 ZINC001303859328 1070278506 /nfs/dbraw/zinc/27/85/06/1070278506.db2.gz MHVNERYINYFYSF-INIZCTEOSA-N 0 3 469.612 -0.331 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(C)COC1 ZINC001303859329 1070278708 /nfs/dbraw/zinc/27/87/08/1070278708.db2.gz MHVNERYINYFYSF-MRXNPFEDSA-N 0 3 469.612 -0.331 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCOC1 ZINC001303859412 1070278382 /nfs/dbraw/zinc/27/83/82/1070278382.db2.gz NYQQKKPNAWDBST-DLBZAZTESA-N 0 3 469.612 -0.331 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCOC1 ZINC001303859413 1070278610 /nfs/dbraw/zinc/27/86/10/1070278610.db2.gz NYQQKKPNAWDBST-IAGOWNOFSA-N 0 3 469.612 -0.331 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCOC1 ZINC001303859414 1070278568 /nfs/dbraw/zinc/27/85/68/1070278568.db2.gz NYQQKKPNAWDBST-IRXDYDNUSA-N 0 3 469.612 -0.331 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCOC1 ZINC001303859415 1070278423 /nfs/dbraw/zinc/27/84/23/1070278423.db2.gz NYQQKKPNAWDBST-SJORKVTESA-N 0 3 469.612 -0.331 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001303863152 1070280984 /nfs/dbraw/zinc/28/09/84/1070280984.db2.gz MURLIWIJNBXCFQ-FOIQADDNSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001303863153 1070280814 /nfs/dbraw/zinc/28/08/14/1070280814.db2.gz MURLIWIJNBXCFQ-MGPUTAFESA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001303863154 1070280854 /nfs/dbraw/zinc/28/08/54/1070280854.db2.gz MURLIWIJNBXCFQ-QRWLVFNGSA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001303863155 1070280913 /nfs/dbraw/zinc/28/09/13/1070280913.db2.gz MURLIWIJNBXCFQ-YWZLYKJASA-N 0 3 469.612 -0.332 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001303863788 1070281434 /nfs/dbraw/zinc/28/14/34/1070281434.db2.gz VUEPFCNDYFESPV-CYBMUJFWSA-N 0 3 497.544 -0.132 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001303863790 1070281521 /nfs/dbraw/zinc/28/15/21/1070281521.db2.gz VUEPFCNDYFESPV-ZDUSSCGKSA-N 0 3 497.544 -0.132 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCN1CCOCC1 ZINC001303864282 1070282143 /nfs/dbraw/zinc/28/21/43/1070282143.db2.gz BLUCCVWJJAIFPD-GOSISDBHSA-N 0 3 485.655 -0.088 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCN1CCOCC1 ZINC001303864283 1070282292 /nfs/dbraw/zinc/28/22/92/1070282292.db2.gz BLUCCVWJJAIFPD-SFHVURJKSA-N 0 3 485.655 -0.088 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@H]1COCCO1 ZINC001303864668 1070282883 /nfs/dbraw/zinc/28/28/83/1070282883.db2.gz FOJCUOQZHHAOFR-AEFFLSMTSA-N 0 3 472.612 -0.005 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@@H]1COCCO1 ZINC001303864669 1070282757 /nfs/dbraw/zinc/28/27/57/1070282757.db2.gz FOJCUOQZHHAOFR-FUHWJXTLSA-N 0 3 472.612 -0.005 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@@H]1COCCO1 ZINC001303864670 1070282802 /nfs/dbraw/zinc/28/28/02/1070282802.db2.gz FOJCUOQZHHAOFR-SJLPKXTDSA-N 0 3 472.612 -0.005 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@H]1COCCO1 ZINC001303864671 1070282861 /nfs/dbraw/zinc/28/28/61/1070282861.db2.gz FOJCUOQZHHAOFR-WMZOPIPTSA-N 0 3 472.612 -0.005 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865048 1070285084 /nfs/dbraw/zinc/28/50/84/1070285084.db2.gz LSBKOJGFDPPQSF-KBPBESRZSA-N 0 3 479.554 -0.572 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865049 1070284828 /nfs/dbraw/zinc/28/48/28/1070284828.db2.gz LSBKOJGFDPPQSF-KGLIPLIRSA-N 0 3 479.554 -0.572 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865050 1070284907 /nfs/dbraw/zinc/28/49/07/1070284907.db2.gz LSBKOJGFDPPQSF-UONOGXRCSA-N 0 3 479.554 -0.572 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865051 1070285006 /nfs/dbraw/zinc/28/50/06/1070285006.db2.gz LSBKOJGFDPPQSF-ZIAGYGMSSA-N 0 3 479.554 -0.572 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001303865265 1070284955 /nfs/dbraw/zinc/28/49/55/1070284955.db2.gz PSORRKGHGAPTRZ-BZUAXINKSA-N 0 3 469.612 -0.144 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001303865266 1070284875 /nfs/dbraw/zinc/28/48/75/1070284875.db2.gz PSORRKGHGAPTRZ-OWCLPIDISA-N 0 3 469.612 -0.144 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303865785 1070287722 /nfs/dbraw/zinc/28/77/22/1070287722.db2.gz VKRPKDNDTNDXFW-HUUCEWRRSA-N 0 3 455.585 -0.532 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303865786 1070287568 /nfs/dbraw/zinc/28/75/68/1070287568.db2.gz VKRPKDNDTNDXFW-LSDHHAIUSA-N 0 3 455.585 -0.532 20 0 JBADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1OC ZINC001304078812 1070299383 /nfs/dbraw/zinc/29/93/83/1070299383.db2.gz JKSQWANPKRSLSN-AWEZNQCLSA-N 0 3 455.533 -0.072 20 0 JBADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1OC ZINC001304078813 1070299648 /nfs/dbraw/zinc/29/96/48/1070299648.db2.gz JKSQWANPKRSLSN-CQSZACIVSA-N 0 3 455.533 -0.072 20 0 JBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC(N[C@H]4CCOC4)C3)ccc2F)CC1 ZINC001304084488 1070299532 /nfs/dbraw/zinc/29/95/32/1070299532.db2.gz NHJFXSBJQADDBO-INIZCTEOSA-N 0 3 454.524 -0.119 20 0 JBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC(N[C@@H]4CCOC4)C3)ccc2F)CC1 ZINC001304084490 1070299686 /nfs/dbraw/zinc/29/96/86/1070299686.db2.gz NHJFXSBJQADDBO-MRXNPFEDSA-N 0 3 454.524 -0.119 20 0 JBADHN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)no1 ZINC001304214792 1070300115 /nfs/dbraw/zinc/30/01/15/1070300115.db2.gz FITVACGWHOIAGY-DOTOQJQBSA-N 0 3 480.595 -0.024 20 0 JBADHN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)no1 ZINC001304214793 1070300463 /nfs/dbraw/zinc/30/04/63/1070300463.db2.gz FITVACGWHOIAGY-NVXWUHKLSA-N 0 3 480.595 -0.024 20 0 JBADHN Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)no1 ZINC001304214794 1070300382 /nfs/dbraw/zinc/30/03/82/1070300382.db2.gz FITVACGWHOIAGY-RDJZCZTQSA-N 0 3 480.595 -0.024 20 0 JBADHN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)no1 ZINC001304214795 1070300203 /nfs/dbraw/zinc/30/02/03/1070300203.db2.gz FITVACGWHOIAGY-WBVHZDCISA-N 0 3 480.595 -0.024 20 0 JBADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCNS(C)(=O)=O)n1 ZINC001304477450 1070301927 /nfs/dbraw/zinc/30/19/27/1070301927.db2.gz JAAPWCRQNJDOGN-GOSISDBHSA-N 0 3 476.607 -0.059 20 0 JBADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCNS(C)(=O)=O)n1 ZINC001304477451 1070302249 /nfs/dbraw/zinc/30/22/49/1070302249.db2.gz JAAPWCRQNJDOGN-SFHVURJKSA-N 0 3 476.607 -0.059 20 0 JBADHN Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)n[nH]1 ZINC001304677176 1070303113 /nfs/dbraw/zinc/30/31/13/1070303113.db2.gz DMGSIQMTPLEYMA-UHFFFAOYSA-N 0 3 458.571 -0.170 20 0 JBADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CC(=O)N(C)C)n1 ZINC001304761593 1070307249 /nfs/dbraw/zinc/30/72/49/1070307249.db2.gz ZXOYMCHHPOIXOB-GOSISDBHSA-N 0 3 457.583 -0.029 20 0 JBADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC(=O)N(C)C)n1 ZINC001304761594 1070307329 /nfs/dbraw/zinc/30/73/29/1070307329.db2.gz ZXOYMCHHPOIXOB-SFHVURJKSA-N 0 3 457.583 -0.029 20 0 JBADHN C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305113569 1070313492 /nfs/dbraw/zinc/31/34/92/1070313492.db2.gz APXZAYLAHFXBFK-DLBZAZTESA-N 0 3 467.640 -0.127 20 0 JBADHN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305113570 1070313548 /nfs/dbraw/zinc/31/35/48/1070313548.db2.gz APXZAYLAHFXBFK-IAGOWNOFSA-N 0 3 467.640 -0.127 20 0 JBADHN C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305113571 1070313173 /nfs/dbraw/zinc/31/31/73/1070313173.db2.gz APXZAYLAHFXBFK-IRXDYDNUSA-N 0 3 467.640 -0.127 20 0 JBADHN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305113572 1070313413 /nfs/dbraw/zinc/31/34/13/1070313413.db2.gz APXZAYLAHFXBFK-SJORKVTESA-N 0 3 467.640 -0.127 20 0 JBADHN C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC(=O)N1C ZINC001305186035 1070315884 /nfs/dbraw/zinc/31/58/84/1070315884.db2.gz BDZOKLGUYUYBDO-DLBZAZTESA-N 0 3 469.612 -0.236 20 0 JBADHN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC(=O)N1C ZINC001305186036 1070316045 /nfs/dbraw/zinc/31/60/45/1070316045.db2.gz BDZOKLGUYUYBDO-IAGOWNOFSA-N 0 3 469.612 -0.236 20 0 JBADHN C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC(=O)N1C ZINC001305186037 1070316293 /nfs/dbraw/zinc/31/62/93/1070316293.db2.gz BDZOKLGUYUYBDO-IRXDYDNUSA-N 0 3 469.612 -0.236 20 0 JBADHN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC(=O)N1C ZINC001305186038 1070316156 /nfs/dbraw/zinc/31/61/56/1070316156.db2.gz BDZOKLGUYUYBDO-SJORKVTESA-N 0 3 469.612 -0.236 20 0 JBADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001305621487 1070322248 /nfs/dbraw/zinc/32/22/48/1070322248.db2.gz ZFOOIQZGKLKVLZ-CVEARBPZSA-N 0 3 478.641 -0.424 20 0 JBADHN CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001305621488 1070322316 /nfs/dbraw/zinc/32/23/16/1070322316.db2.gz ZFOOIQZGKLKVLZ-HOTGVXAUSA-N 0 3 478.641 -0.424 20 0 JBADHN CC[C@@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001305621489 1070321977 /nfs/dbraw/zinc/32/19/77/1070321977.db2.gz ZFOOIQZGKLKVLZ-HZPDHXFCSA-N 0 3 478.641 -0.424 20 0 JBADHN CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001305621490 1070321801 /nfs/dbraw/zinc/32/18/01/1070321801.db2.gz ZFOOIQZGKLKVLZ-JKSUJKDBSA-N 0 3 478.641 -0.424 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCS(=O)(=O)NC ZINC001305781592 1070325838 /nfs/dbraw/zinc/32/58/38/1070325838.db2.gz SQRJGHXXORNJEG-KRWDZBQOSA-N 0 3 498.654 -0.512 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCS(=O)(=O)NC ZINC001305781595 1070325636 /nfs/dbraw/zinc/32/56/36/1070325636.db2.gz SQRJGHXXORNJEG-QGZVFWFLSA-N 0 3 498.654 -0.512 20 0 JBADHN CCc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CCN(C)CCOC ZINC001306209671 1070329989 /nfs/dbraw/zinc/32/99/89/1070329989.db2.gz KHSAKYKQLRRNNO-UHFFFAOYSA-N 0 3 454.601 -0.028 20 0 JBADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC001307859545 1070344222 /nfs/dbraw/zinc/34/42/22/1070344222.db2.gz PIZYXQBQBPJSDQ-HNNXBMFYSA-N 0 3 454.549 -0.395 20 0 JBADHN CNC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC001307859546 1070344282 /nfs/dbraw/zinc/34/42/82/1070344282.db2.gz PIZYXQBQBPJSDQ-OAHLLOKOSA-N 0 3 454.549 -0.395 20 0 JBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCN4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC001307884649 1070345094 /nfs/dbraw/zinc/34/50/94/1070345094.db2.gz HPJYXBAWZDOSQL-RBUKOAKNSA-N 0 3 450.561 -0.527 20 0 JBADHN CN(C)CCN1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1=O ZINC001307898034 1070344995 /nfs/dbraw/zinc/34/49/95/1070344995.db2.gz WCAQHXMSMRRJMZ-UHFFFAOYSA-N 0 3 451.593 -0.634 20 0 JBADHN CN1CCN(CCCS(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC001309074355 1070348718 /nfs/dbraw/zinc/34/87/18/1070348718.db2.gz HEWJFCIBULYFAI-UHFFFAOYSA-N 0 3 459.657 -0.496 20 0 JBADHN CCN1CCN(C2CN(S(=O)(=O)c3ccc(OC)c([C@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC001309906515 1070356287 /nfs/dbraw/zinc/35/62/87/1070356287.db2.gz LZFMSNOUYONZTG-FQEVSTJZSA-N 0 3 451.549 -0.240 20 0 JBADHN CCN1CCN(C2CN(S(=O)(=O)c3ccc(OC)c([C@@]4(C)NC(=O)NC4=O)c3)C2)CC1 ZINC001309906517 1070356258 /nfs/dbraw/zinc/35/62/58/1070356258.db2.gz LZFMSNOUYONZTG-HXUWFJFHSA-N 0 3 451.549 -0.240 20 0 JBADHN CN(C)CCN1CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1=O ZINC001310287387 1070357472 /nfs/dbraw/zinc/35/74/72/1070357472.db2.gz ICJFKULNISJTHF-UHFFFAOYSA-N 0 3 453.569 -0.599 20 0 JBADHN CN1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001313375379 1070369129 /nfs/dbraw/zinc/36/91/29/1070369129.db2.gz ARWYESCJYSQLBK-HNNXBMFYSA-N 0 3 459.594 -0.166 20 0 JBADHN CN1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001313375383 1070369055 /nfs/dbraw/zinc/36/90/55/1070369055.db2.gz ARWYESCJYSQLBK-OAHLLOKOSA-N 0 3 459.594 -0.166 20 0 JBADHN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001313548133 1070373784 /nfs/dbraw/zinc/37/37/84/1070373784.db2.gz ZCPCHKWXZPJOEB-INIZCTEOSA-N 0 3 471.628 -0.085 20 0 JBADHN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001313548138 1070373444 /nfs/dbraw/zinc/37/34/44/1070373444.db2.gz ZCPCHKWXZPJOEB-MRXNPFEDSA-N 0 3 471.628 -0.085 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)CC1 ZINC001313700501 1070379631 /nfs/dbraw/zinc/37/96/31/1070379631.db2.gz FSXRZGIZIDXKMN-KRWDZBQOSA-N 0 3 495.654 -0.031 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)CC1 ZINC001313700502 1070379438 /nfs/dbraw/zinc/37/94/38/1070379438.db2.gz FSXRZGIZIDXKMN-QGZVFWFLSA-N 0 3 495.654 -0.031 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COCCO2)CC1 ZINC001313700560 1070379991 /nfs/dbraw/zinc/37/99/91/1070379991.db2.gz HWTBRNDFIVDGQF-KRWDZBQOSA-N 0 3 451.572 -0.178 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COCCO2)CC1 ZINC001313700561 1070379398 /nfs/dbraw/zinc/37/93/98/1070379398.db2.gz HWTBRNDFIVDGQF-QGZVFWFLSA-N 0 3 451.572 -0.178 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)CC1 ZINC001313701161 1070380145 /nfs/dbraw/zinc/38/01/45/1070380145.db2.gz SGTFRJNOEJIQLE-INIZCTEOSA-N 0 3 471.628 -0.206 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)CC1 ZINC001313701162 1070379924 /nfs/dbraw/zinc/37/99/24/1070379924.db2.gz SGTFRJNOEJIQLE-MRXNPFEDSA-N 0 3 471.628 -0.206 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 ZINC001313702722 1070380071 /nfs/dbraw/zinc/38/00/71/1070380071.db2.gz GBKSISFORMOHFC-GOSISDBHSA-N 0 3 472.598 -0.019 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 ZINC001313702723 1070379727 /nfs/dbraw/zinc/37/97/27/1070379727.db2.gz GBKSISFORMOHFC-SFHVURJKSA-N 0 3 472.598 -0.019 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)CC1 ZINC001313703464 1070380111 /nfs/dbraw/zinc/38/01/11/1070380111.db2.gz IXNGXEPKPGBCHI-GOSISDBHSA-N 0 3 497.666 -0.057 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)CC1 ZINC001313703466 1070379515 /nfs/dbraw/zinc/37/95/15/1070379515.db2.gz IXNGXEPKPGBCHI-SFHVURJKSA-N 0 3 497.666 -0.057 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC)CC1 ZINC001313704023 1070379894 /nfs/dbraw/zinc/37/98/94/1070379894.db2.gz LFURNKUGJHYFQL-INIZCTEOSA-N 0 3 457.601 -0.678 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)NC)CC1 ZINC001313704024 1070379960 /nfs/dbraw/zinc/37/99/60/1070379960.db2.gz LFURNKUGJHYFQL-MRXNPFEDSA-N 0 3 457.601 -0.678 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NC)CC1 ZINC001313704260 1070379675 /nfs/dbraw/zinc/37/96/75/1070379675.db2.gz MCPZXSLMOJXGQZ-INIZCTEOSA-N 0 3 462.599 -0.008 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NC)CC1 ZINC001313704262 1070379770 /nfs/dbraw/zinc/37/97/70/1070379770.db2.gz MCPZXSLMOJXGQZ-MRXNPFEDSA-N 0 3 462.599 -0.008 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)CC)CC1 ZINC001313705249 1070379810 /nfs/dbraw/zinc/37/98/10/1070379810.db2.gz SXIXHGXXRRZICZ-KRWDZBQOSA-N 0 3 483.639 -0.351 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)CC)CC1 ZINC001313705251 1070379475 /nfs/dbraw/zinc/37/94/75/1070379475.db2.gz SXIXHGXXRRZICZ-QGZVFWFLSA-N 0 3 483.639 -0.351 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001313705610 1070380510 /nfs/dbraw/zinc/38/05/10/1070380510.db2.gz VJCNSGCUNPTJNJ-UHFFFAOYSA-N 0 3 465.584 -0.725 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)CC1 ZINC001313705618 1070380555 /nfs/dbraw/zinc/38/05/55/1070380555.db2.gz VRIBVLQHBJQZPN-UHFFFAOYSA-N 0 3 467.600 -0.782 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001313705629 1070380759 /nfs/dbraw/zinc/38/07/59/1070380759.db2.gz VYPGKLJMEZDDSO-UHFFFAOYSA-N 0 3 498.636 -0.110 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001313705662 1070380605 /nfs/dbraw/zinc/38/06/05/1070380605.db2.gz WQDRYVBLPSHMTR-UHFFFAOYSA-N 0 3 493.638 -0.296 20 0 JBADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313724963 1070381165 /nfs/dbraw/zinc/38/11/65/1070381165.db2.gz CJJLGQZJUIGPDK-IAGOWNOFSA-N 0 3 495.650 -0.162 20 0 JBADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313724964 1070381220 /nfs/dbraw/zinc/38/12/20/1070381220.db2.gz CJJLGQZJUIGPDK-SJORKVTESA-N 0 3 495.650 -0.162 20 0 JBADHN CCN1C(=O)[C@@H]2CN(c3nnc(CN4CCCC4=O)n3CCN(C)CCOC)CCN2C1=O ZINC001313829350 1070384083 /nfs/dbraw/zinc/38/40/83/1070384083.db2.gz BNVAIAAVMSQCIH-INIZCTEOSA-N 0 3 462.555 -0.549 20 0 JBADHN CCN1C(=O)[C@H]2CN(c3nnc(CN4CCCC4=O)n3CCN(C)CCOC)CCN2C1=O ZINC001313829351 1070384202 /nfs/dbraw/zinc/38/42/02/1070384202.db2.gz BNVAIAAVMSQCIH-MRXNPFEDSA-N 0 3 462.555 -0.549 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001313860022 1070386578 /nfs/dbraw/zinc/38/65/78/1070386578.db2.gz IMQYCSBCVZWRGI-ILXRZTDVSA-N 0 3 465.646 -0.301 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001313860023 1070386987 /nfs/dbraw/zinc/38/69/87/1070386987.db2.gz IMQYCSBCVZWRGI-KKUMJFAQSA-N 0 3 465.646 -0.301 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001313860024 1070386842 /nfs/dbraw/zinc/38/68/42/1070386842.db2.gz IMQYCSBCVZWRGI-QLFBSQMISA-N 0 3 465.646 -0.301 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001313860025 1070386660 /nfs/dbraw/zinc/38/66/60/1070386660.db2.gz IMQYCSBCVZWRGI-SOUVJXGZSA-N 0 3 465.646 -0.301 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001313919997 1070390511 /nfs/dbraw/zinc/39/05/11/1070390511.db2.gz HEKWKJPJPUEIAS-OWSLCNJRSA-N 0 3 482.655 -0.371 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001313919998 1070390285 /nfs/dbraw/zinc/39/02/85/1070390285.db2.gz HEKWKJPJPUEIAS-VSZNYVQBSA-N 0 3 482.655 -0.371 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)CC1 ZINC001313919999 1070390593 /nfs/dbraw/zinc/39/05/93/1070390593.db2.gz HEKWKJPJPUEIAS-XDNAFOTISA-N 0 3 482.655 -0.371 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001313920000 1070390338 /nfs/dbraw/zinc/39/03/38/1070390338.db2.gz HEKWKJPJPUEIAS-XMTFNYHQSA-N 0 3 482.655 -0.371 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001313920065 1070390028 /nfs/dbraw/zinc/39/00/28/1070390028.db2.gz IARWSHMIGUIHBA-CEXWTWQISA-N 0 3 484.671 -0.565 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001313920066 1070390205 /nfs/dbraw/zinc/39/02/05/1070390205.db2.gz IARWSHMIGUIHBA-GUDVDZBRSA-N 0 3 484.671 -0.565 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001313920118 1070389925 /nfs/dbraw/zinc/38/99/25/1070389925.db2.gz IARWSHMIGUIHBA-QRVBRYPASA-N 0 3 484.671 -0.565 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001313920119 1070390412 /nfs/dbraw/zinc/39/04/12/1070390412.db2.gz IARWSHMIGUIHBA-QYZOEREBSA-N 0 3 484.671 -0.565 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921314 1070391012 /nfs/dbraw/zinc/39/10/12/1070391012.db2.gz PQFKEZPHNHTNNB-DLBZAZTESA-N 0 3 484.671 -0.123 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921315 1070391302 /nfs/dbraw/zinc/39/13/02/1070391302.db2.gz PQFKEZPHNHTNNB-IAGOWNOFSA-N 0 3 484.671 -0.123 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921316 1070391211 /nfs/dbraw/zinc/39/12/11/1070391211.db2.gz PQFKEZPHNHTNNB-IRXDYDNUSA-N 0 3 484.671 -0.123 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921317 1070390796 /nfs/dbraw/zinc/39/07/96/1070390796.db2.gz PQFKEZPHNHTNNB-SJORKVTESA-N 0 3 484.671 -0.123 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922289 1070390909 /nfs/dbraw/zinc/39/09/09/1070390909.db2.gz VAANYCDAIWPFHP-TVFCKZIOSA-N 0 3 473.644 -0.236 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922290 1070390959 /nfs/dbraw/zinc/39/09/59/1070390959.db2.gz VAANYCDAIWPFHP-XDNAFOTISA-N 0 3 473.644 -0.236 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922291 1070391119 /nfs/dbraw/zinc/39/11/19/1070391119.db2.gz VAANYCDAIWPFHP-XLAORIBOSA-N 0 3 473.644 -0.236 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922292 1070391497 /nfs/dbraw/zinc/39/14/97/1070391497.db2.gz VAANYCDAIWPFHP-XWTMOSNGSA-N 0 3 473.644 -0.236 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001313926573 1070392954 /nfs/dbraw/zinc/39/29/54/1070392954.db2.gz DRBGMXWJYNKMSJ-IBGZPJMESA-N 0 3 498.636 -0.066 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001313926574 1070392749 /nfs/dbraw/zinc/39/27/49/1070392749.db2.gz DRBGMXWJYNKMSJ-LJQANCHMSA-N 0 3 498.636 -0.066 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927613 1070392795 /nfs/dbraw/zinc/39/27/95/1070392795.db2.gz JJTVKNNDHCATQY-MSOLQXFVSA-N 0 3 462.599 -0.450 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927629 1070392291 /nfs/dbraw/zinc/39/22/91/1070392291.db2.gz JJTVKNNDHCATQY-QZTJIDSGSA-N 0 3 462.599 -0.450 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927633 1070392543 /nfs/dbraw/zinc/39/25/43/1070392543.db2.gz JJTVKNNDHCATQY-ROUUACIJSA-N 0 3 462.599 -0.450 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927635 1070392842 /nfs/dbraw/zinc/39/28/42/1070392842.db2.gz JJTVKNNDHCATQY-ZWKOTPCHSA-N 0 3 462.599 -0.450 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313928487 1070392256 /nfs/dbraw/zinc/39/22/56/1070392256.db2.gz PMKORDNYGXPRPD-GOSISDBHSA-N 0 3 461.615 -0.112 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313928488 1070393005 /nfs/dbraw/zinc/39/30/05/1070393005.db2.gz PMKORDNYGXPRPD-SFHVURJKSA-N 0 3 461.615 -0.112 20 0 JBADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313947960 1070396097 /nfs/dbraw/zinc/39/60/97/1070396097.db2.gz OCPKEPHLKKAMFT-GOSISDBHSA-N 0 3 465.628 -0.166 20 0 JBADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313947962 1070395322 /nfs/dbraw/zinc/39/53/22/1070395322.db2.gz OCPKEPHLKKAMFT-SFHVURJKSA-N 0 3 465.628 -0.166 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001313948062 1070396147 /nfs/dbraw/zinc/39/61/47/1070396147.db2.gz FCGBPKOKLNKNPY-IBGZPJMESA-N 0 3 496.682 -0.131 20 0 JBADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948066 1070395604 /nfs/dbraw/zinc/39/56/04/1070395604.db2.gz OUZHCORFKNYDTO-MSOLQXFVSA-N 0 3 455.629 -0.063 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001313948072 1070395833 /nfs/dbraw/zinc/39/58/33/1070395833.db2.gz FCGBPKOKLNKNPY-LJQANCHMSA-N 0 3 496.682 -0.131 20 0 JBADHN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948093 1070395532 /nfs/dbraw/zinc/39/55/32/1070395532.db2.gz OUZHCORFKNYDTO-QZTJIDSGSA-N 0 3 455.629 -0.063 20 0 JBADHN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948096 1070395891 /nfs/dbraw/zinc/39/58/91/1070395891.db2.gz OUZHCORFKNYDTO-ROUUACIJSA-N 0 3 455.629 -0.063 20 0 JBADHN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948099 1070395496 /nfs/dbraw/zinc/39/54/96/1070395496.db2.gz OUZHCORFKNYDTO-ZWKOTPCHSA-N 0 3 455.629 -0.063 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001313949569 1070395778 /nfs/dbraw/zinc/39/57/78/1070395778.db2.gz JXNNWPBFUDJVEJ-BZSNNMDCSA-N 0 3 498.654 -0.197 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001313949570 1070395723 /nfs/dbraw/zinc/39/57/23/1070395723.db2.gz JXNNWPBFUDJVEJ-KSZLIROESA-N 0 3 498.654 -0.197 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001313949572 1070396608 /nfs/dbraw/zinc/39/66/08/1070396608.db2.gz JXNNWPBFUDJVEJ-OKZBNKHCSA-N 0 3 498.654 -0.197 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001313949573 1070396892 /nfs/dbraw/zinc/39/68/92/1070396892.db2.gz JXNNWPBFUDJVEJ-RCCFBDPRSA-N 0 3 498.654 -0.197 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949857 1070396852 /nfs/dbraw/zinc/39/68/52/1070396852.db2.gz LLBWDFUACCSBDV-MSOLQXFVSA-N 0 3 499.686 -0.377 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949858 1070396529 /nfs/dbraw/zinc/39/65/29/1070396529.db2.gz LLBWDFUACCSBDV-QZTJIDSGSA-N 0 3 499.686 -0.377 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949859 1070396949 /nfs/dbraw/zinc/39/69/49/1070396949.db2.gz LLBWDFUACCSBDV-ROUUACIJSA-N 0 3 499.686 -0.377 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313949860 1070396705 /nfs/dbraw/zinc/39/67/05/1070396705.db2.gz LLBWDFUACCSBDV-ZWKOTPCHSA-N 0 3 499.686 -0.377 20 0 JBADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001313953905 1070396476 /nfs/dbraw/zinc/39/64/76/1070396476.db2.gz KXPKMTOJYFVPEX-GOSISDBHSA-N 0 3 467.640 -0.124 20 0 JBADHN CCN1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001313953906 1070396408 /nfs/dbraw/zinc/39/64/08/1070396408.db2.gz KXPKMTOJYFVPEX-SFHVURJKSA-N 0 3 467.640 -0.124 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001313956117 1070396999 /nfs/dbraw/zinc/39/69/99/1070396999.db2.gz AIETUOXLVMDGHG-GOSISDBHSA-N 0 3 482.655 -0.272 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001313956118 1070396326 /nfs/dbraw/zinc/39/63/26/1070396326.db2.gz AIETUOXLVMDGHG-SFHVURJKSA-N 0 3 482.655 -0.272 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001313956161 1070396649 /nfs/dbraw/zinc/39/66/49/1070396649.db2.gz BMHISVPMGGCGGP-IBGZPJMESA-N 0 3 497.666 -0.497 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001313956162 1070396443 /nfs/dbraw/zinc/39/64/43/1070396443.db2.gz BMHISVPMGGCGGP-LJQANCHMSA-N 0 3 497.666 -0.497 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)CC1 ZINC001313956542 1070398043 /nfs/dbraw/zinc/39/80/43/1070398043.db2.gz HIXUXKTXIBQPBA-KRWDZBQOSA-N 0 3 455.629 -0.220 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)CC1 ZINC001313956543 1070397589 /nfs/dbraw/zinc/39/75/89/1070397589.db2.gz HIXUXKTXIBQPBA-QGZVFWFLSA-N 0 3 455.629 -0.220 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001313956603 1070398210 /nfs/dbraw/zinc/39/82/10/1070398210.db2.gz IQRNWDFNRCTBIC-MOPGFXCFSA-N 0 3 462.599 -0.402 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001313956604 1070397963 /nfs/dbraw/zinc/39/79/63/1070397963.db2.gz IQRNWDFNRCTBIC-OALUTQOASA-N 0 3 462.599 -0.402 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001313956605 1070397552 /nfs/dbraw/zinc/39/75/52/1070397552.db2.gz IQRNWDFNRCTBIC-RBUKOAKNSA-N 0 3 462.599 -0.402 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001313956606 1070397395 /nfs/dbraw/zinc/39/73/95/1070397395.db2.gz IQRNWDFNRCTBIC-RTBURBONSA-N 0 3 462.599 -0.402 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CC1 ZINC001313957039 1070397860 /nfs/dbraw/zinc/39/78/60/1070397860.db2.gz OWMIXOARMFLGDQ-IBGZPJMESA-N 0 3 485.655 -0.135 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CC1 ZINC001313957040 1070398148 /nfs/dbraw/zinc/39/81/48/1070398148.db2.gz OWMIXOARMFLGDQ-LJQANCHMSA-N 0 3 485.655 -0.135 20 0 JBADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001313959703 1070397643 /nfs/dbraw/zinc/39/76/43/1070397643.db2.gz BQRXYEJNDXPKNO-UHFFFAOYSA-N 0 3 484.671 -0.084 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001313959736 1070397494 /nfs/dbraw/zinc/39/74/94/1070397494.db2.gz CBSYJNMOQMHLIO-MSOLQXFVSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001313959741 1070397443 /nfs/dbraw/zinc/39/74/43/1070397443.db2.gz CBSYJNMOQMHLIO-QZTJIDSGSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001313959742 1070397328 /nfs/dbraw/zinc/39/73/28/1070397328.db2.gz CBSYJNMOQMHLIO-ROUUACIJSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001313959744 1070397700 /nfs/dbraw/zinc/39/77/00/1070397700.db2.gz CBSYJNMOQMHLIO-ZWKOTPCHSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001313960945 1070398013 /nfs/dbraw/zinc/39/80/13/1070398013.db2.gz PZLCPVIRMDGOEI-IBGZPJMESA-N 0 3 464.615 -0.215 20 0 JBADHN 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CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO ZINC001314705953 1070467625 /nfs/dbraw/zinc/46/76/25/1070467625.db2.gz ULFRSQUGRBUIDW-RBUKOAKNSA-N 0 3 498.650 -0.288 20 0 JBADHN CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO ZINC001314705955 1070467480 /nfs/dbraw/zinc/46/74/80/1070467480.db2.gz ULFRSQUGRBUIDW-RTBURBONSA-N 0 3 498.650 -0.288 20 0 JBADHN CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)CCCC1 ZINC001314889339 1070473901 /nfs/dbraw/zinc/47/39/01/1070473901.db2.gz WERWRSFUVJSMNF-INIZCTEOSA-N 0 3 492.668 -0.034 20 0 JBADHN CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCS(C)(=O)=O)CCCC1 ZINC001314889340 1070473832 /nfs/dbraw/zinc/47/38/32/1070473832.db2.gz WERWRSFUVJSMNF-MRXNPFEDSA-N 0 3 492.668 -0.034 20 0 JBADHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCN(C)C2)c1 ZINC001314922463 1070478737 /nfs/dbraw/zinc/47/87/37/1070478737.db2.gz HQZUHYQQFSZKNO-FQEVSTJZSA-N 0 3 482.632 -0.169 20 0 JBADHN CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCN(C)C2)c1 ZINC001314922464 1070478650 /nfs/dbraw/zinc/47/86/50/1070478650.db2.gz HQZUHYQQFSZKNO-HXUWFJFHSA-N 0 3 482.632 -0.169 20 0 JBADHN Cn1cccc1-c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCNS(C)(=O)=O ZINC001314923664 1070479482 /nfs/dbraw/zinc/47/94/82/1070479482.db2.gz GBHFFOMZGGBYET-GOSISDBHSA-N 0 3 478.623 -0.034 20 0 JBADHN Cn1cccc1-c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCNS(C)(=O)=O ZINC001314923666 1070479291 /nfs/dbraw/zinc/47/92/91/1070479291.db2.gz GBHFFOMZGGBYET-SFHVURJKSA-N 0 3 478.623 -0.034 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924130 1070480056 /nfs/dbraw/zinc/48/00/56/1070480056.db2.gz LHJGGPIKRODLLO-KBPBESRZSA-N 0 3 486.499 -0.350 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924131 1070480297 /nfs/dbraw/zinc/48/02/97/1070480297.db2.gz LHJGGPIKRODLLO-KGLIPLIRSA-N 0 3 486.499 -0.350 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924132 1070480410 /nfs/dbraw/zinc/48/04/10/1070480410.db2.gz LHJGGPIKRODLLO-UONOGXRCSA-N 0 3 486.499 -0.350 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001314924133 1070480161 /nfs/dbraw/zinc/48/01/61/1070480161.db2.gz LHJGGPIKRODLLO-ZIAGYGMSSA-N 0 3 486.499 -0.350 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)CC1 ZINC001314924803 1070480366 /nfs/dbraw/zinc/48/03/66/1070480366.db2.gz PTSCHJYWENVVFS-IBGZPJMESA-N 0 3 490.634 -0.054 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)CC1 ZINC001314924822 1070480384 /nfs/dbraw/zinc/48/03/84/1070480384.db2.gz PTSCHJYWENVVFS-LJQANCHMSA-N 0 3 490.634 -0.054 20 0 JBADHN CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001314925043 1070480229 /nfs/dbraw/zinc/48/02/29/1070480229.db2.gz RDCYYOFYVPZJRL-GOSISDBHSA-N 0 3 476.607 -0.026 20 0 JBADHN CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001314925044 1070480257 /nfs/dbraw/zinc/48/02/57/1070480257.db2.gz RDCYYOFYVPZJRL-SFHVURJKSA-N 0 3 476.607 -0.026 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 ZINC001314925338 1070481142 /nfs/dbraw/zinc/48/11/42/1070481142.db2.gz XEMQUSWVKCYQCR-IBGZPJMESA-N 0 3 490.634 -0.054 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 ZINC001314925339 1070481251 /nfs/dbraw/zinc/48/12/51/1070481251.db2.gz XEMQUSWVKCYQCR-LJQANCHMSA-N 0 3 490.634 -0.054 20 0 JBADHN CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001314934528 1070482849 /nfs/dbraw/zinc/48/28/49/1070482849.db2.gz MRELEGFSSCJLLJ-CVEARBPZSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001314934536 1070482879 /nfs/dbraw/zinc/48/28/79/1070482879.db2.gz MRELEGFSSCJLLJ-HOTGVXAUSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001314934538 1070482830 /nfs/dbraw/zinc/48/28/30/1070482830.db2.gz MRELEGFSSCJLLJ-HZPDHXFCSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001314934539 1070482717 /nfs/dbraw/zinc/48/27/17/1070482717.db2.gz MRELEGFSSCJLLJ-JKSUJKDBSA-N 0 3 498.654 -0.597 20 0 JBADHN CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314967328 1070487079 /nfs/dbraw/zinc/48/70/79/1070487079.db2.gz OKJHMMOUAHVBFL-HRAATJIYSA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314967330 1070487216 /nfs/dbraw/zinc/48/72/16/1070487216.db2.gz OKJHMMOUAHVBFL-IERDGZPVSA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314967332 1070486979 /nfs/dbraw/zinc/48/69/79/1070486979.db2.gz OKJHMMOUAHVBFL-IIBYNOLFSA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314967334 1070487158 /nfs/dbraw/zinc/48/71/58/1070487158.db2.gz OKJHMMOUAHVBFL-KKSFZXQISA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314984015 1070488704 /nfs/dbraw/zinc/48/87/04/1070488704.db2.gz BEAZUOHVQGPXFV-DLBZAZTESA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314984016 1070488772 /nfs/dbraw/zinc/48/87/72/1070488772.db2.gz BEAZUOHVQGPXFV-IAGOWNOFSA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314984017 1070488670 /nfs/dbraw/zinc/48/86/70/1070488670.db2.gz BEAZUOHVQGPXFV-IRXDYDNUSA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314984018 1070488739 /nfs/dbraw/zinc/48/87/39/1070488739.db2.gz BEAZUOHVQGPXFV-SJORKVTESA-N 0 3 484.671 -0.123 20 0 JBADHN CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)C1 ZINC001314989633 1070489650 /nfs/dbraw/zinc/48/96/50/1070489650.db2.gz JVUNGCMQNMUFCI-DLBZAZTESA-N 0 3 487.627 -0.848 20 0 JBADHN CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)C1 ZINC001314989634 1070489602 /nfs/dbraw/zinc/48/96/02/1070489602.db2.gz JVUNGCMQNMUFCI-IAGOWNOFSA-N 0 3 487.627 -0.848 20 0 JBADHN CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)C1 ZINC001314989635 1070489732 /nfs/dbraw/zinc/48/97/32/1070489732.db2.gz JVUNGCMQNMUFCI-IRXDYDNUSA-N 0 3 487.627 -0.848 20 0 JBADHN CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)C1 ZINC001314989636 1070489761 /nfs/dbraw/zinc/48/97/61/1070489761.db2.gz JVUNGCMQNMUFCI-SJORKVTESA-N 0 3 487.627 -0.848 20 0 JBADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CCO1 ZINC001315011403 1070496213 /nfs/dbraw/zinc/49/62/13/1070496213.db2.gz NPTUWANFLIPBJK-BZSNNMDCSA-N 0 3 484.623 -0.632 20 0 JBADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CCO1 ZINC001315011404 1070496294 /nfs/dbraw/zinc/49/62/94/1070496294.db2.gz NPTUWANFLIPBJK-KSZLIROESA-N 0 3 484.623 -0.632 20 0 JBADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CCO1 ZINC001315011405 1070496403 /nfs/dbraw/zinc/49/64/03/1070496403.db2.gz NPTUWANFLIPBJK-KURKYZTESA-N 0 3 484.623 -0.632 20 0 JBADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CCO1 ZINC001315011406 1070496319 /nfs/dbraw/zinc/49/63/19/1070496319.db2.gz NPTUWANFLIPBJK-SQNIBIBYSA-N 0 3 484.623 -0.632 20 0 JBADHN CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001315042515 1070503235 /nfs/dbraw/zinc/50/32/35/1070503235.db2.gz QRZBAFZXVBQHTB-AEFFLSMTSA-N 0 3 462.599 -0.069 20 0 JBADHN CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001315042516 1070503075 /nfs/dbraw/zinc/50/30/75/1070503075.db2.gz QRZBAFZXVBQHTB-FUHWJXTLSA-N 0 3 462.599 -0.069 20 0 JBADHN CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001315042517 1070503361 /nfs/dbraw/zinc/50/33/61/1070503361.db2.gz QRZBAFZXVBQHTB-SJLPKXTDSA-N 0 3 462.599 -0.069 20 0 JBADHN CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001315042518 1070503282 /nfs/dbraw/zinc/50/32/82/1070503282.db2.gz QRZBAFZXVBQHTB-WMZOPIPTSA-N 0 3 462.599 -0.069 20 0 JBADHN CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001315050912 1070505845 /nfs/dbraw/zinc/50/58/45/1070505845.db2.gz XVJLAEHJRYWSRH-KRWDZBQOSA-N 0 3 454.597 -0.135 20 0 JBADHN CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001315050913 1070505706 /nfs/dbraw/zinc/50/57/06/1070505706.db2.gz XVJLAEHJRYWSRH-QGZVFWFLSA-N 0 3 454.597 -0.135 20 0 JBADHN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001315052399 1070505740 /nfs/dbraw/zinc/50/57/40/1070505740.db2.gz OJUFWCKVZBOCPH-GOSISDBHSA-N 0 3 489.625 -0.082 20 0 JBADHN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001315052400 1070505811 /nfs/dbraw/zinc/50/58/11/1070505811.db2.gz OJUFWCKVZBOCPH-SFHVURJKSA-N 0 3 489.625 -0.082 20 0 JBADHN CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1 ZINC001315058485 1070507031 /nfs/dbraw/zinc/50/70/31/1070507031.db2.gz LREGPLKROHBYHD-MSOLQXFVSA-N 0 3 483.639 -0.122 20 0 JBADHN CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CC1 ZINC001315058486 1070507125 /nfs/dbraw/zinc/50/71/25/1070507125.db2.gz LREGPLKROHBYHD-QZTJIDSGSA-N 0 3 483.639 -0.122 20 0 JBADHN CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1 ZINC001315058487 1070507214 /nfs/dbraw/zinc/50/72/14/1070507214.db2.gz LREGPLKROHBYHD-ROUUACIJSA-N 0 3 483.639 -0.122 20 0 JBADHN CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CC1 ZINC001315058488 1070506960 /nfs/dbraw/zinc/50/69/60/1070506960.db2.gz LREGPLKROHBYHD-ZWKOTPCHSA-N 0 3 483.639 -0.122 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001315069008 1070513063 /nfs/dbraw/zinc/51/30/63/1070513063.db2.gz OXESTZWVRJGYEW-KRWDZBQOSA-N 0 3 490.652 -0.722 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001315069010 1070512947 /nfs/dbraw/zinc/51/29/47/1070512947.db2.gz OXESTZWVRJGYEW-QGZVFWFLSA-N 0 3 490.652 -0.722 20 0 JBADHN CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001315073514 1070515946 /nfs/dbraw/zinc/51/59/46/1070515946.db2.gz XTWJMICDYROXRW-GOSISDBHSA-N 0 3 476.607 -0.444 20 0 JBADHN CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001315073515 1070516086 /nfs/dbraw/zinc/51/60/86/1070516086.db2.gz XTWJMICDYROXRW-SFHVURJKSA-N 0 3 476.607 -0.444 20 0 JBADHN COC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 ZINC001315123543 1070518847 /nfs/dbraw/zinc/51/88/47/1070518847.db2.gz JASJJLKOIXLNQK-KRWDZBQOSA-N 0 3 485.611 -0.015 20 0 JBADHN 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COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001316074325 1070544370 /nfs/dbraw/zinc/54/43/70/1070544370.db2.gz DFRCNBCQYVMYNJ-RCCFBDPRSA-N 0 3 477.610 -0.078 20 0 JBADHN COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001316111062 1070545348 /nfs/dbraw/zinc/54/53/48/1070545348.db2.gz UFKXMLGAKQHNGC-GOSISDBHSA-N 0 3 472.612 -0.194 20 0 JBADHN COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001316111063 1070545162 /nfs/dbraw/zinc/54/51/62/1070545162.db2.gz UFKXMLGAKQHNGC-SFHVURJKSA-N 0 3 472.612 -0.194 20 0 JBADHN COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001316117950 1070547763 /nfs/dbraw/zinc/54/77/63/1070547763.db2.gz DUYBXNFQKGNVME-UHFFFAOYSA-N 0 3 464.615 -0.263 20 0 JBADHN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001316204015 1070559102 /nfs/dbraw/zinc/55/91/02/1070559102.db2.gz KOLYWJFADWPGEL-IBGZPJMESA-N 0 3 493.609 -0.395 20 0 JBADHN 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COCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316258981 1070563126 /nfs/dbraw/zinc/56/31/26/1070563126.db2.gz MVANNDDWZRCDCR-UHFFFAOYSA-N 0 3 463.583 -0.079 20 0 JBADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)N(C)C ZINC001316294015 1070565500 /nfs/dbraw/zinc/56/55/00/1070565500.db2.gz DBXLRKQVBJGUHZ-PXNSSMCTSA-N 0 3 463.583 -0.165 20 0 JBADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)N(C)C ZINC001316295912 1070565434 /nfs/dbraw/zinc/56/54/34/1070565434.db2.gz UCSCAEMHEWGMGQ-LNLFQRSKSA-N 0 3 463.583 -0.167 20 0 JBADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)N(C)C ZINC001316295917 1070565328 /nfs/dbraw/zinc/56/53/28/1070565328.db2.gz UCSCAEMHEWGMGQ-SCTDSRPQSA-N 0 3 463.583 -0.167 20 0 JBADHN CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316347204 1070571100 /nfs/dbraw/zinc/57/11/00/1070571100.db2.gz KEWJBUPQVPPFAN-INIZCTEOSA-N 0 3 467.596 -0.592 20 0 JBADHN CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316347205 1070570901 /nfs/dbraw/zinc/57/09/01/1070570901.db2.gz KEWJBUPQVPPFAN-MRXNPFEDSA-N 0 3 467.596 -0.592 20 0 JBADHN CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316347587 1070570962 /nfs/dbraw/zinc/57/09/62/1070570962.db2.gz HXDZJQAYYJPNKT-UHFFFAOYSA-N 0 3 481.623 -0.307 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316351312 1070573048 /nfs/dbraw/zinc/57/30/48/1070573048.db2.gz KWBSOVVOEQHWLF-GOSISDBHSA-N 0 3 484.623 -0.412 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316351313 1070572944 /nfs/dbraw/zinc/57/29/44/1070572944.db2.gz KWBSOVVOEQHWLF-SFHVURJKSA-N 0 3 484.623 -0.412 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316351463 1070573111 /nfs/dbraw/zinc/57/31/11/1070573111.db2.gz PCTQLXQFJSZORV-KRWDZBQOSA-N 0 3 497.622 -0.965 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316351465 1070572885 /nfs/dbraw/zinc/57/28/85/1070572885.db2.gz PCTQLXQFJSZORV-QGZVFWFLSA-N 0 3 497.622 -0.965 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001316351660 1070573026 /nfs/dbraw/zinc/57/30/26/1070573026.db2.gz SQKMAUNNSBDTRZ-DLBZAZTESA-N 0 3 470.596 -0.551 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001316351661 1070572915 /nfs/dbraw/zinc/57/29/15/1070572915.db2.gz SQKMAUNNSBDTRZ-IAGOWNOFSA-N 0 3 470.596 -0.551 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001316351662 1070572743 /nfs/dbraw/zinc/57/27/43/1070572743.db2.gz SQKMAUNNSBDTRZ-IRXDYDNUSA-N 0 3 470.596 -0.551 20 0 JBADHN CS(=O)(=O)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001316351663 1070572977 /nfs/dbraw/zinc/57/29/77/1070572977.db2.gz SQKMAUNNSBDTRZ-SJORKVTESA-N 0 3 470.596 -0.551 20 0 JBADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCCCO)C1 ZINC001316353632 1070574771 /nfs/dbraw/zinc/57/47/71/1070574771.db2.gz BMHJDPUVAIBEHA-MOPGFXCFSA-N 0 3 486.639 -0.068 20 0 JBADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCCCO)C1 ZINC001316353633 1070575054 /nfs/dbraw/zinc/57/50/54/1070575054.db2.gz BMHJDPUVAIBEHA-OALUTQOASA-N 0 3 486.639 -0.068 20 0 JBADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCCCO)C1 ZINC001316353634 1070574996 /nfs/dbraw/zinc/57/49/96/1070574996.db2.gz BMHJDPUVAIBEHA-RBUKOAKNSA-N 0 3 486.639 -0.068 20 0 JBADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCCCO)C1 ZINC001316353635 1070574797 /nfs/dbraw/zinc/57/47/97/1070574797.db2.gz BMHJDPUVAIBEHA-RTBURBONSA-N 0 3 486.639 -0.068 20 0 JBADHN CS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316356683 1070578948 /nfs/dbraw/zinc/57/89/48/1070578948.db2.gz OPQFMHNXWBFICA-UHFFFAOYSA-N 0 3 464.596 -0.043 20 0 JBADHN CS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001316359269 1070581299 /nfs/dbraw/zinc/58/12/99/1070581299.db2.gz TVBBOFPIBREGAR-CVEARBPZSA-N 0 3 455.585 -0.673 20 0 JBADHN CS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001316359270 1070581342 /nfs/dbraw/zinc/58/13/42/1070581342.db2.gz TVBBOFPIBREGAR-HOTGVXAUSA-N 0 3 455.585 -0.673 20 0 JBADHN CS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001316359271 1070581124 /nfs/dbraw/zinc/58/11/24/1070581124.db2.gz TVBBOFPIBREGAR-HZPDHXFCSA-N 0 3 455.585 -0.673 20 0 JBADHN CS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001316359272 1070581217 /nfs/dbraw/zinc/58/12/17/1070581217.db2.gz TVBBOFPIBREGAR-JKSUJKDBSA-N 0 3 455.585 -0.673 20 0 JBADHN CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316359311 1070581254 /nfs/dbraw/zinc/58/12/54/1070581254.db2.gz UZIITZKHNUGAEN-UHFFFAOYSA-N 0 3 490.634 -0.052 20 0 JBADHN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001316359682 1070581840 /nfs/dbraw/zinc/58/18/40/1070581840.db2.gz IFSRYDJXAPHWGD-UHFFFAOYSA-N 0 3 469.612 -0.359 20 0 JBADHN CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001316360244 1070581975 /nfs/dbraw/zinc/58/19/75/1070581975.db2.gz RKSXZBKDFJNAIS-UHFFFAOYSA-N 0 3 483.639 -0.112 20 0 JBADHN CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316360278 1070582430 /nfs/dbraw/zinc/58/24/30/1070582430.db2.gz SHSRZEWWXXDAMF-QGZVFWFLSA-N 0 3 469.612 -0.187 20 0 JBADHN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001316360370 1070582543 /nfs/dbraw/zinc/58/25/43/1070582543.db2.gz UNOXUUPYDHOOGX-UHFFFAOYSA-N 0 3 469.612 -0.388 20 0 JBADHN CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001316361065 1070582454 /nfs/dbraw/zinc/58/24/54/1070582454.db2.gz BMYRDUZZYQFCFC-UHFFFAOYSA-N 0 3 476.607 -0.443 20 0 JBADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N(C)C ZINC001316504740 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464.548 -0.320 20 0 JBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910745 1070623228 /nfs/dbraw/zinc/62/32/28/1070623228.db2.gz JCIVBFATRSCYEY-HOTGVXAUSA-N 0 3 464.548 -0.320 20 0 JBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910746 1070623104 /nfs/dbraw/zinc/62/31/04/1070623104.db2.gz JCIVBFATRSCYEY-HZPDHXFCSA-N 0 3 464.548 -0.320 20 0 JBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910747 1070623320 /nfs/dbraw/zinc/62/33/20/1070623320.db2.gz JCIVBFATRSCYEY-JKSUJKDBSA-N 0 3 464.548 -0.320 20 0 JBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001338288542 1070630358 /nfs/dbraw/zinc/63/03/58/1070630358.db2.gz HCJAZPBBOMBVDG-IBGZPJMESA-N 0 3 465.576 -0.275 20 0 JBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001338288544 1070630572 /nfs/dbraw/zinc/63/05/72/1070630572.db2.gz HCJAZPBBOMBVDG-LJQANCHMSA-N 0 3 465.576 -0.275 20 0 JBADHN CN1CCN(Cc2cccc(CNC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2)CC1 ZINC001338459156 1070631645 /nfs/dbraw/zinc/63/16/45/1070631645.db2.gz BORVNDSCCLKXTI-UHFFFAOYSA-N 0 3 480.635 -0.162 20 0 JBADHN CC(=O)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001359374149 1070692913 /nfs/dbraw/zinc/69/29/13/1070692913.db2.gz SZKCIRHKXMSIOP-KRWDZBQOSA-N 0 3 484.671 -0.027 20 0 JBADHN CC(=O)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001359374150 1070692837 /nfs/dbraw/zinc/69/28/37/1070692837.db2.gz SZKCIRHKXMSIOP-QGZVFWFLSA-N 0 3 484.671 -0.027 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3cnnn3C)C[C@H]2C)CC1 ZINC001359379457 1070694452 /nfs/dbraw/zinc/69/44/52/1070694452.db2.gz RCLVMSJILRPYRG-APWZRJJASA-N 0 3 472.598 -0.028 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3cnnn3C)C[C@@H]2C)CC1 ZINC001359379458 1070694298 /nfs/dbraw/zinc/69/42/98/1070694298.db2.gz RCLVMSJILRPYRG-LPHOPBHVSA-N 0 3 472.598 -0.028 20 0 JBADHN 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CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001359454697 1070708472 /nfs/dbraw/zinc/70/84/72/1070708472.db2.gz UEEDINNVCJTMIH-MRXNPFEDSA-N 0 3 484.627 -0.841 20 0 JBADHN CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001359459651 1070709879 /nfs/dbraw/zinc/70/98/79/1070709879.db2.gz SCMWMNGWKBQJTK-GOSISDBHSA-N 0 3 471.628 -0.085 20 0 JBADHN CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 ZINC001359459652 1070709782 /nfs/dbraw/zinc/70/97/82/1070709782.db2.gz SCMWMNGWKBQJTK-SFHVURJKSA-N 0 3 471.628 -0.085 20 0 JBADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 ZINC001359549764 1070711945 /nfs/dbraw/zinc/71/19/45/1070711945.db2.gz AMILJOANXFFILM-DLBZAZTESA-N 0 3 472.612 -0.053 20 0 JBADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 ZINC001359549765 1070712233 /nfs/dbraw/zinc/71/22/33/1070712233.db2.gz AMILJOANXFFILM-IRXDYDNUSA-N 0 3 472.612 -0.053 20 0 JBADHN 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YIDOGNCYMRKFQK-CSODHUTKSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001360704261 1070761416 /nfs/dbraw/zinc/76/14/16/1070761416.db2.gz YIDOGNCYMRKFQK-FIKGOQFSSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001360704263 1070761431 /nfs/dbraw/zinc/76/14/31/1070761431.db2.gz YIDOGNCYMRKFQK-FVJLSDCUSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001360704264 1070761456 /nfs/dbraw/zinc/76/14/56/1070761456.db2.gz YIDOGNCYMRKFQK-XGHQBKJUSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)N1CCOCC1 ZINC001360707305 1070761899 /nfs/dbraw/zinc/76/18/99/1070761899.db2.gz BMIJEOILDXNAFE-DLBZAZTESA-N 0 3 499.638 -0.563 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)N1CCOCC1 ZINC001360707306 1070761836 /nfs/dbraw/zinc/76/18/36/1070761836.db2.gz 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CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503297574 1068382176 /nfs/dbraw/zinc/38/21/76/1068382176.db2.gz OOROOYVWTSXKGG-VTGBYBNISA-N 0 3 486.664 -0.308 20 0 JBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCNC(=O)CC1 ZINC001503358110 1068383225 /nfs/dbraw/zinc/38/32/25/1068383225.db2.gz QHPOKHSUMIAOAF-KRWDZBQOSA-N 0 3 460.583 -0.331 20 0 JBADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCNC(=O)CC1 ZINC001503358131 1068383109 /nfs/dbraw/zinc/38/31/09/1068383109.db2.gz QHPOKHSUMIAOAF-QGZVFWFLSA-N 0 3 460.583 -0.331 20 0 JBADHN CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363304 1068384026 /nfs/dbraw/zinc/38/40/26/1068384026.db2.gz XGPPIMHKYLWQKO-GOSISDBHSA-N 0 3 495.650 -0.207 20 0 JBADHN CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503363305 1068383895 /nfs/dbraw/zinc/38/38/95/1068383895.db2.gz XGPPIMHKYLWQKO-SFHVURJKSA-N 0 3 495.650 -0.207 20 0 JBADHN 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CN(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382740 1068388480 /nfs/dbraw/zinc/38/84/80/1068388480.db2.gz PGYICEZKVBANFT-ZWKOTPCHSA-N 0 3 495.581 -0.011 20 0 JBADHN CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503397778 1068388942 /nfs/dbraw/zinc/38/89/42/1068388942.db2.gz GEIAMRHONHXSTJ-CVEARBPZSA-N 0 3 492.668 -0.178 20 0 JBADHN CN(C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503397799 1068389046 /nfs/dbraw/zinc/38/90/46/1068389046.db2.gz GEIAMRHONHXSTJ-HOTGVXAUSA-N 0 3 492.668 -0.178 20 0 JBADHN CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001503397802 1068389107 /nfs/dbraw/zinc/38/91/07/1068389107.db2.gz GEIAMRHONHXSTJ-HZPDHXFCSA-N 0 3 492.668 -0.178 20 0 JBADHN CN(C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001503397806 1068389230 /nfs/dbraw/zinc/38/92/30/1068389230.db2.gz GEIAMRHONHXSTJ-JKSUJKDBSA-N 0 3 492.668 -0.178 20 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CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503409416 1068391534 /nfs/dbraw/zinc/39/15/34/1068391534.db2.gz SHXFLCWCMZLKSN-GOSISDBHSA-N 0 3 483.639 -0.192 20 0 JBADHN CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503409418 1068391690 /nfs/dbraw/zinc/39/16/90/1068391690.db2.gz SHXFLCWCMZLKSN-SFHVURJKSA-N 0 3 483.639 -0.192 20 0 JBADHN Cn1cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001503650458 1068404608 /nfs/dbraw/zinc/40/46/08/1068404608.db2.gz LQGIBHGXGXSWJL-UHFFFAOYSA-N 0 3 464.596 -0.142 20 0 JBADHN Cn1cc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001503650889 1068405264 /nfs/dbraw/zinc/40/52/64/1068405264.db2.gz SKJUVWAVCVMXGJ-INIZCTEOSA-N 0 3 452.585 -0.224 20 0 JBADHN Cn1cc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001503650890 1068405293 /nfs/dbraw/zinc/40/52/93/1068405293.db2.gz SKJUVWAVCVMXGJ-MRXNPFEDSA-N 0 3 452.585 -0.224 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCS(C)(=O)=O)CC1 ZINC001503679518 1068408627 /nfs/dbraw/zinc/40/86/27/1068408627.db2.gz FHPLGINPZVYOKZ-DLBZAZTESA-N 0 3 454.597 -0.041 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(C)(=O)=O)CC1 ZINC001503679522 1068408353 /nfs/dbraw/zinc/40/83/53/1068408353.db2.gz FHPLGINPZVYOKZ-IAGOWNOFSA-N 0 3 454.597 -0.041 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCS(C)(=O)=O)CC1 ZINC001503679526 1068408288 /nfs/dbraw/zinc/40/82/88/1068408288.db2.gz FHPLGINPZVYOKZ-IRXDYDNUSA-N 0 3 454.597 -0.041 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(C)(=O)=O)CC1 ZINC001503679530 1068408754 /nfs/dbraw/zinc/40/87/54/1068408754.db2.gz FHPLGINPZVYOKZ-SJORKVTESA-N 0 3 454.597 -0.041 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)CC1 ZINC001503680129 1068409445 /nfs/dbraw/zinc/40/94/45/1068409445.db2.gz JGRIUDIWRZMGJI-HZPDHXFCSA-N 0 3 455.585 -0.578 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)CC1 ZINC001503680131 1068409124 /nfs/dbraw/zinc/40/91/24/1068409124.db2.gz JGRIUDIWRZMGJI-JKSUJKDBSA-N 0 3 455.585 -0.578 20 0 JBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(C)(=O)=O)CC1 ZINC001503683115 1068411220 /nfs/dbraw/zinc/41/12/20/1068411220.db2.gz TYSGUKXAMRFQPF-INIZCTEOSA-N 0 3 490.590 -0.287 20 0 JBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(C)(=O)=O)CC1 ZINC001503683116 1068411179 /nfs/dbraw/zinc/41/11/79/1068411179.db2.gz TYSGUKXAMRFQPF-MRXNPFEDSA-N 0 3 490.590 -0.287 20 0 JBADHN CN1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1(C)C ZINC001503685193 1068410994 /nfs/dbraw/zinc/41/09/94/1068410994.db2.gz PSZPZABAZNWMQW-INIZCTEOSA-N 0 3 458.654 -0.225 20 0 JBADHN CN1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1(C)C ZINC001503685194 1068410904 /nfs/dbraw/zinc/41/09/04/1068410904.db2.gz PSZPZABAZNWMQW-MRXNPFEDSA-N 0 3 458.654 -0.225 20 0 JBADHN CN1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685231 1068411070 /nfs/dbraw/zinc/41/10/70/1068411070.db2.gz QBGHZVGOUZJMML-CVEARBPZSA-N 0 3 453.613 -0.122 20 0 JBADHN CN1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685235 1068411831 /nfs/dbraw/zinc/41/18/31/1068411831.db2.gz QBGHZVGOUZJMML-HOTGVXAUSA-N 0 3 453.613 -0.122 20 0 JBADHN CN1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685239 1068411714 /nfs/dbraw/zinc/41/17/14/1068411714.db2.gz QBGHZVGOUZJMML-HZPDHXFCSA-N 0 3 453.613 -0.122 20 0 JBADHN CN1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1(C)C ZINC001503685243 1068411694 /nfs/dbraw/zinc/41/16/94/1068411694.db2.gz QBGHZVGOUZJMML-JKSUJKDBSA-N 0 3 453.613 -0.122 20 0 JBADHN CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001503685338 1068411098 /nfs/dbraw/zinc/41/10/98/1068411098.db2.gz MAYAWGMHDRILJX-INIZCTEOSA-N 0 3 453.613 -0.515 20 0 JBADHN CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001503685341 1068411032 /nfs/dbraw/zinc/41/10/32/1068411032.db2.gz MAYAWGMHDRILJX-MRXNPFEDSA-N 0 3 453.613 -0.515 20 0 JBADHN CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503808087 1068432321 /nfs/dbraw/zinc/43/23/21/1068432321.db2.gz CGRGLKQWHCYCBW-HNNXBMFYSA-N 0 3 457.601 -0.427 20 0 JBADHN CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001503808088 1068432440 /nfs/dbraw/zinc/43/24/40/1068432440.db2.gz CGRGLKQWHCYCBW-OAHLLOKOSA-N 0 3 457.601 -0.427 20 0 JBADHN CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503808641 1068432462 /nfs/dbraw/zinc/43/24/62/1068432462.db2.gz NKVXCZLEBSPHOD-DLBZAZTESA-N 0 3 451.572 -0.119 20 0 JBADHN CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503808642 1068432506 /nfs/dbraw/zinc/43/25/06/1068432506.db2.gz NKVXCZLEBSPHOD-IAGOWNOFSA-N 0 3 451.572 -0.119 20 0 JBADHN CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503808643 1068432367 /nfs/dbraw/zinc/43/23/67/1068432367.db2.gz NKVXCZLEBSPHOD-IRXDYDNUSA-N 0 3 451.572 -0.119 20 0 JBADHN CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503808644 1068432342 /nfs/dbraw/zinc/43/23/42/1068432342.db2.gz NKVXCZLEBSPHOD-SJORKVTESA-N 0 3 451.572 -0.119 20 0 JBADHN CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503815020 1068433758 /nfs/dbraw/zinc/43/37/58/1068433758.db2.gz ONSQKHMRKFRAEU-GOSISDBHSA-N 0 3 499.638 -0.704 20 0 JBADHN CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001503815021 1068434059 /nfs/dbraw/zinc/43/40/59/1068434059.db2.gz ONSQKHMRKFRAEU-SFHVURJKSA-N 0 3 499.638 -0.704 20 0 JBADHN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503819714 1068435471 /nfs/dbraw/zinc/43/54/71/1068435471.db2.gz IGKCPISWIBIHSF-PXNSSMCTSA-N 0 3 463.583 -0.117 20 0 JBADHN CNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001503825458 1068437569 /nfs/dbraw/zinc/43/75/69/1068437569.db2.gz AXKAZXMMZINVHX-GOSISDBHSA-N 0 3 489.625 -0.195 20 0 JBADHN CNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001503825459 1068437736 /nfs/dbraw/zinc/43/77/36/1068437736.db2.gz AXKAZXMMZINVHX-SFHVURJKSA-N 0 3 489.625 -0.195 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001503828213 1068438363 /nfs/dbraw/zinc/43/83/63/1068438363.db2.gz CBJPMOYUALMBQY-UHFFFAOYSA-N 0 3 493.638 -0.139 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503828759 1068438397 /nfs/dbraw/zinc/43/83/97/1068438397.db2.gz FVXOKGIMLPFQLZ-KRWDZBQOSA-N 0 3 470.644 -0.430 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503828763 1068438578 /nfs/dbraw/zinc/43/85/78/1068438578.db2.gz FVXOKGIMLPFQLZ-QGZVFWFLSA-N 0 3 470.644 -0.430 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503828847 1068438564 /nfs/dbraw/zinc/43/85/64/1068438564.db2.gz GRBDOYIWOKJZKG-INIZCTEOSA-N 0 3 478.579 -0.367 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503828849 1068438514 /nfs/dbraw/zinc/43/85/14/1068438514.db2.gz GRBDOYIWOKJZKG-MRXNPFEDSA-N 0 3 478.579 -0.367 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503828850 1068438500 /nfs/dbraw/zinc/43/85/00/1068438500.db2.gz GRMINFFOLBNEFL-INIZCTEOSA-N 0 3 455.585 -0.778 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503828851 1068438414 /nfs/dbraw/zinc/43/84/14/1068438414.db2.gz GRMINFFOLBNEFL-MRXNPFEDSA-N 0 3 455.585 -0.778 20 0 JBADHN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001503830608 1068439295 /nfs/dbraw/zinc/43/92/95/1068439295.db2.gz OOCOHOOYWLFJQM-INIZCTEOSA-N 0 3 469.612 -0.247 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001503832991 1068439901 /nfs/dbraw/zinc/43/99/01/1068439901.db2.gz NDUYUWAPKXISKR-AWEZNQCLSA-N 0 3 463.630 -0.498 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 ZINC001503832993 1068439850 /nfs/dbraw/zinc/43/98/50/1068439850.db2.gz NDUYUWAPKXISKR-CQSZACIVSA-N 0 3 463.630 -0.498 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503834701 1068440783 /nfs/dbraw/zinc/44/07/83/1068440783.db2.gz DBJMQIZUIOWXAY-DLBZAZTESA-N 0 3 468.628 -0.617 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503834702 1068440760 /nfs/dbraw/zinc/44/07/60/1068440760.db2.gz DBJMQIZUIOWXAY-IAGOWNOFSA-N 0 3 468.628 -0.617 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001503834703 1068440836 /nfs/dbraw/zinc/44/08/36/1068440836.db2.gz DBJMQIZUIOWXAY-IRXDYDNUSA-N 0 3 468.628 -0.617 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001503834704 1068440827 /nfs/dbraw/zinc/44/08/27/1068440827.db2.gz DBJMQIZUIOWXAY-SJORKVTESA-N 0 3 468.628 -0.617 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503834714 1068440894 /nfs/dbraw/zinc/44/08/94/1068440894.db2.gz DFUPCBKPYZJZDB-DLBZAZTESA-N 0 3 469.612 -0.188 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503834715 1068440802 /nfs/dbraw/zinc/44/08/02/1068440802.db2.gz DFUPCBKPYZJZDB-IAGOWNOFSA-N 0 3 469.612 -0.188 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503834716 1068440770 /nfs/dbraw/zinc/44/07/70/1068440770.db2.gz DFUPCBKPYZJZDB-IRXDYDNUSA-N 0 3 469.612 -0.188 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503834717 1068440815 /nfs/dbraw/zinc/44/08/15/1068440815.db2.gz DFUPCBKPYZJZDB-SJORKVTESA-N 0 3 469.612 -0.188 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503835050 1068441722 /nfs/dbraw/zinc/44/17/22/1068441722.db2.gz CYOJCZHASLKZBW-GOSISDBHSA-N 0 3 476.607 -0.059 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503835051 1068441863 /nfs/dbraw/zinc/44/18/63/1068441863.db2.gz CYOJCZHASLKZBW-SFHVURJKSA-N 0 3 476.607 -0.059 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503836346 1068443174 /nfs/dbraw/zinc/44/31/74/1068443174.db2.gz KJHQUZPSUMPIKZ-UHFFFAOYSA-N 0 3 462.580 -0.366 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503838201 1068444121 /nfs/dbraw/zinc/44/41/21/1068444121.db2.gz PQNMXTHBSJTILK-KRWDZBQOSA-N 0 3 462.580 -0.368 20 0 JBADHN CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503838203 1068444084 /nfs/dbraw/zinc/44/40/84/1068444084.db2.gz PQNMXTHBSJTILK-QGZVFWFLSA-N 0 3 462.580 -0.368 20 0 JBADHN CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503840720 1068444976 /nfs/dbraw/zinc/44/49/76/1068444976.db2.gz MEJZSLSGNZQDBA-GOSISDBHSA-N 0 3 476.607 -0.444 20 0 JBADHN CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503840731 1068445885 /nfs/dbraw/zinc/44/58/85/1068445885.db2.gz MEJZSLSGNZQDBA-SFHVURJKSA-N 0 3 476.607 -0.444 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503842646 1068447413 /nfs/dbraw/zinc/44/74/13/1068447413.db2.gz ZQOZAQKSHIWFCS-CVEARBPZSA-N 0 3 455.585 -0.926 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503842649 1068447471 /nfs/dbraw/zinc/44/74/71/1068447471.db2.gz ZQOZAQKSHIWFCS-HOTGVXAUSA-N 0 3 455.585 -0.926 20 0 JBADHN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503842652 1068447438 /nfs/dbraw/zinc/44/74/38/1068447438.db2.gz ZQOZAQKSHIWFCS-HZPDHXFCSA-N 0 3 455.585 -0.926 20 0 JBADHN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503842655 1068447386 /nfs/dbraw/zinc/44/73/86/1068447386.db2.gz ZQOZAQKSHIWFCS-JKSUJKDBSA-N 0 3 455.585 -0.926 20 0 JBADHN COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C[C@H]1O ZINC001503878835 1068449800 /nfs/dbraw/zinc/44/98/00/1068449800.db2.gz DNGBXQFIOSOXTF-QZTJIDSGSA-N 0 3 477.610 -0.100 20 0 JBADHN COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504038681 1068454852 /nfs/dbraw/zinc/45/48/52/1068454852.db2.gz WYNSLSWHCQCIBX-KRWDZBQOSA-N 0 3 485.655 -0.138 20 0 JBADHN COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001504038687 1068454732 /nfs/dbraw/zinc/45/47/32/1068454732.db2.gz WYNSLSWHCQCIBX-QGZVFWFLSA-N 0 3 485.655 -0.138 20 0 JBADHN CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCOC1 ZINC001504047058 1068455735 /nfs/dbraw/zinc/45/57/35/1068455735.db2.gz IKBDVLNYWQXFCF-FIKGOQFSSA-N 0 3 499.638 -0.563 20 0 JBADHN CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCOC1 ZINC001504047060 1068455758 /nfs/dbraw/zinc/45/57/58/1068455758.db2.gz IKBDVLNYWQXFCF-FVJLSDCUSA-N 0 3 499.638 -0.563 20 0 JBADHN CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCOC1 ZINC001504047062 1068455533 /nfs/dbraw/zinc/45/55/33/1068455533.db2.gz IKBDVLNYWQXFCF-LZJOCLMNSA-N 0 3 499.638 -0.563 20 0 JBADHN CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCOC1 ZINC001504047064 1068455623 /nfs/dbraw/zinc/45/56/23/1068455623.db2.gz IKBDVLNYWQXFCF-WWMYMODYSA-N 0 3 499.638 -0.563 20 0 JBADHN COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001504579486 1068469369 /nfs/dbraw/zinc/46/93/69/1068469369.db2.gz LOGNKTZKGTZMBN-KRWDZBQOSA-N 0 3 451.572 -0.178 20 0 JBADHN COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001504579489 1068469509 /nfs/dbraw/zinc/46/95/09/1068469509.db2.gz LOGNKTZKGTZMBN-QGZVFWFLSA-N 0 3 451.572 -0.178 20 0 JBADHN COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504614206 1068472473 /nfs/dbraw/zinc/47/24/73/1068472473.db2.gz XATNXBBPQJWAII-BBWFWOEESA-N 0 3 472.587 -0.093 20 0 JBADHN COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504614209 1068472641 /nfs/dbraw/zinc/47/26/41/1068472641.db2.gz XATNXBBPQJWAII-BRWVUGGUSA-N 0 3 472.587 -0.093 20 0 JBADHN COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001504614211 1068472578 /nfs/dbraw/zinc/47/25/78/1068472578.db2.gz XATNXBBPQJWAII-GVDBMIGSSA-N 0 3 472.587 -0.093 20 0 JBADHN COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001504614213 1068472589 /nfs/dbraw/zinc/47/25/89/1068472589.db2.gz XATNXBBPQJWAII-ZACQAIPSSA-N 0 3 472.587 -0.093 20 0 JBADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001504853499 1068482270 /nfs/dbraw/zinc/48/22/70/1068482270.db2.gz CLLUJFYKHJAWIV-OAGGEKHMSA-N 0 3 457.601 -0.571 20 0 JBADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001504853500 1068482284 /nfs/dbraw/zinc/48/22/84/1068482284.db2.gz CLLUJFYKHJAWIV-XHSDSOJGSA-N 0 3 457.601 -0.571 20 0 JBADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001504856918 1068482352 /nfs/dbraw/zinc/48/23/52/1068482352.db2.gz DDOOPANYGUXNEC-IBGZPJMESA-N 0 3 493.609 -0.742 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001504856921 1068482154 /nfs/dbraw/zinc/48/21/54/1068482154.db2.gz DDOOPANYGUXNEC-LJQANCHMSA-N 0 3 493.609 -0.742 20 0 JBADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001504857534 1068482189 /nfs/dbraw/zinc/48/21/89/1068482189.db2.gz PDOAGTBSEAFTER-GOSISDBHSA-N 0 3 462.599 -0.448 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001504857537 1068482075 /nfs/dbraw/zinc/48/20/75/1068482075.db2.gz PDOAGTBSEAFTER-SFHVURJKSA-N 0 3 462.599 -0.448 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001504857683 1068482783 /nfs/dbraw/zinc/48/27/83/1068482783.db2.gz OWPJMVMLDAQXBU-KRWDZBQOSA-N 0 3 460.601 -0.602 20 0 JBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001504857684 1068482855 /nfs/dbraw/zinc/48/28/55/1068482855.db2.gz OWPJMVMLDAQXBU-QGZVFWFLSA-N 0 3 460.601 -0.602 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001504857842 1068483078 /nfs/dbraw/zinc/48/30/78/1068483078.db2.gz PYYDXYMZDJCSSR-KSZLIROESA-N 0 3 499.638 -0.754 20 0 JBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001504857843 1068482920 /nfs/dbraw/zinc/48/29/20/1068482920.db2.gz PYYDXYMZDJCSSR-RCCFBDPRSA-N 0 3 499.638 -0.754 20 0 JBADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504857855 1068483255 /nfs/dbraw/zinc/48/32/55/1068483255.db2.gz QPASAROKYCSMCV-KRWDZBQOSA-N 0 3 451.572 -0.467 20 0 JBADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504857856 1068483161 /nfs/dbraw/zinc/48/31/61/1068483161.db2.gz QPASAROKYCSMCV-QGZVFWFLSA-N 0 3 451.572 -0.467 20 0 JBADHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001504858074 1068483842 /nfs/dbraw/zinc/48/38/42/1068483842.db2.gz UCEWFCDPSQSALD-UHFFFAOYSA-N 0 3 479.626 -0.048 20 0 JBADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001504858804 1068483773 /nfs/dbraw/zinc/48/37/73/1068483773.db2.gz JVUJNUODYBCHGQ-UHFFFAOYSA-N 0 3 457.601 -0.550 20 0 JBADHN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001504989267 1068499861 /nfs/dbraw/zinc/49/98/61/1068499861.db2.gz JBAKCCSJAVQWBB-AVRDEDQJSA-N 0 3 466.583 -0.102 20 0 JBADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001504989270 1068500387 /nfs/dbraw/zinc/50/03/87/1068500387.db2.gz JBAKCCSJAVQWBB-GCJKJVERSA-N 0 3 466.583 -0.102 20 0 JBADHN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001504989272 1068500339 /nfs/dbraw/zinc/50/03/39/1068500339.db2.gz JBAKCCSJAVQWBB-PGRDOPGGSA-N 0 3 466.583 -0.102 20 0 JBADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001504989274 1068500521 /nfs/dbraw/zinc/50/05/21/1068500521.db2.gz JBAKCCSJAVQWBB-XMSQKQJNSA-N 0 3 466.583 -0.102 20 0 JBADHN CS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505133391 1068510785 /nfs/dbraw/zinc/51/07/85/1068510785.db2.gz MZRRVIYHEZUMCR-UHFFFAOYSA-N 0 3 467.596 -0.697 20 0 JBADHN CS(=O)(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001505139810 1068517061 /nfs/dbraw/zinc/51/70/61/1068517061.db2.gz UNPMBSAEPCLFSH-GOSISDBHSA-N 0 3 483.639 -0.167 20 0 JBADHN CS(=O)(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001505139811 1068517303 /nfs/dbraw/zinc/51/73/03/1068517303.db2.gz UNPMBSAEPCLFSH-SFHVURJKSA-N 0 3 483.639 -0.167 20 0 JBADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CCCCC2)C1 ZINC001505141653 1068519011 /nfs/dbraw/zinc/51/90/11/1068519011.db2.gz SMHVVPIFRRDGSX-GOSISDBHSA-N 0 3 499.638 -0.432 20 0 JBADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CCCCC2)C1 ZINC001505141654 1068519039 /nfs/dbraw/zinc/51/90/39/1068519039.db2.gz SMHVVPIFRRDGSX-SFHVURJKSA-N 0 3 499.638 -0.432 20 0 JBADHN CS(=O)(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505142252 1068519771 /nfs/dbraw/zinc/51/97/71/1068519771.db2.gz JFASUAWKCFQFGI-UHFFFAOYSA-N 0 3 496.638 -0.802 20 0 JBADHN CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505146108 1068521295 /nfs/dbraw/zinc/52/12/95/1068521295.db2.gz XEMMRKKAEJAJHX-UHFFFAOYSA-N 0 3 463.568 -0.971 20 0 JBADHN CS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505146558 1068521826 /nfs/dbraw/zinc/52/18/26/1068521826.db2.gz KAJHUIZLVBHNNY-UHFFFAOYSA-N 0 3 490.634 -0.052 20 0 JBADHN CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505146673 1068521868 /nfs/dbraw/zinc/52/18/68/1068521868.db2.gz OQZPFWLWGUDZFM-UHFFFAOYSA-N 0 3 476.607 -0.443 20 0 JBADHN CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505147035 1068522249 /nfs/dbraw/zinc/52/22/49/1068522249.db2.gz YABDKMIIFMMVBV-HNNXBMFYSA-N 0 3 453.569 -0.982 20 0 JBADHN CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001505147041 1068522293 /nfs/dbraw/zinc/52/22/93/1068522293.db2.gz YABDKMIIFMMVBV-OAHLLOKOSA-N 0 3 453.569 -0.982 20 0 JBADHN CS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001505152358 1068522676 /nfs/dbraw/zinc/52/26/76/1068522676.db2.gz JDTMGBGZLSUHQK-INIZCTEOSA-N 0 3 497.647 -0.023 20 0 JBADHN CS(=O)(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001505152359 1068522834 /nfs/dbraw/zinc/52/28/34/1068522834.db2.gz JDTMGBGZLSUHQK-MRXNPFEDSA-N 0 3 497.647 -0.023 20 0 JBADHN CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001505153596 1068523238 /nfs/dbraw/zinc/52/32/38/1068523238.db2.gz YBWLSRNFPCEEFE-UHFFFAOYSA-N 0 3 469.612 -0.502 20 0 JBADHN C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1O ZINC001505271867 1068524452 /nfs/dbraw/zinc/52/44/52/1068524452.db2.gz AWRANEMQQSKDMD-CEXWTWQISA-N 0 3 499.682 -0.156 20 0 JBADHN C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1O ZINC001505271868 1068524245 /nfs/dbraw/zinc/52/42/45/1068524245.db2.gz AWRANEMQQSKDMD-QYZOEREBSA-N 0 3 499.682 -0.156 20 0 JBADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O ZINC001505287770 1068526192 /nfs/dbraw/zinc/52/61/92/1068526192.db2.gz NTPLBLIQGYTFQA-GOEBONIOSA-N 0 3 455.585 -0.532 20 0 JBADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNS(C)(=O)=O ZINC001505287772 1068526101 /nfs/dbraw/zinc/52/61/01/1068526101.db2.gz NTPLBLIQGYTFQA-HOCLYGCPSA-N 0 3 455.585 -0.532 20 0 JBADHN O=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)NCC(F)F ZINC001505341833 1068527089 /nfs/dbraw/zinc/52/70/89/1068527089.db2.gz ANAJPSHAXINWBE-UHFFFAOYSA-N 0 3 482.536 -0.360 20 0 JBADHN O=C(CN1CCCC1)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCCO)CC1 ZINC001505346798 1068528168 /nfs/dbraw/zinc/52/81/68/1068528168.db2.gz MVOBLRQEGSARQG-UHFFFAOYSA-N 0 3 463.583 -0.343 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001508232207 1068549241 /nfs/dbraw/zinc/54/92/41/1068549241.db2.gz LPYHMUFZBPHICD-HKUYNNGSSA-N 0 3 474.610 -0.019 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001508232208 1068548985 /nfs/dbraw/zinc/54/89/85/1068548985.db2.gz LPYHMUFZBPHICD-IEBWSBKVSA-N 0 3 474.610 -0.019 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001508232209 1068549121 /nfs/dbraw/zinc/54/91/21/1068549121.db2.gz LPYHMUFZBPHICD-MJGOQNOKSA-N 0 3 474.610 -0.019 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001508232210 1068549175 /nfs/dbraw/zinc/54/91/75/1068549175.db2.gz LPYHMUFZBPHICD-PKOBYXMFSA-N 0 3 474.610 -0.019 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CC3(O)CCS(=O)(=O)CC3)C[C@H]2C)CC1 ZINC001508234099 1068549671 /nfs/dbraw/zinc/54/96/71/1068549671.db2.gz TVRHOHNFSURURN-APWZRJJASA-N 0 3 468.624 -0.095 20 0 JBADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CC3(O)CCS(=O)(=O)CC3)C[C@@H]2C)CC1 ZINC001508234102 1068549851 /nfs/dbraw/zinc/54/98/51/1068549851.db2.gz TVRHOHNFSURURN-LPHOPBHVSA-N 0 3 468.624 -0.095 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CC3(O)CCS(=O)(=O)CC3)C[C@@H]2C)CC1 ZINC001508234104 1068549559 /nfs/dbraw/zinc/54/95/59/1068549559.db2.gz TVRHOHNFSURURN-QFBILLFUSA-N 0 3 468.624 -0.095 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CC3(O)CCS(=O)(=O)CC3)C[C@H]2C)CC1 ZINC001508234105 1068549736 /nfs/dbraw/zinc/54/97/36/1068549736.db2.gz TVRHOHNFSURURN-VQIMIIECSA-N 0 3 468.624 -0.095 20 0 JBADHN CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508374378 1068558814 /nfs/dbraw/zinc/55/88/14/1068558814.db2.gz APIQYCDOGIOJAR-DOTOQJQBSA-N 0 3 484.627 -0.843 20 0 JBADHN CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508374381 1068558921 /nfs/dbraw/zinc/55/89/21/1068558921.db2.gz APIQYCDOGIOJAR-NVXWUHKLSA-N 0 3 484.627 -0.843 20 0 JBADHN CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508374386 1068559025 /nfs/dbraw/zinc/55/90/25/1068559025.db2.gz APIQYCDOGIOJAR-RDJZCZTQSA-N 0 3 484.627 -0.843 20 0 JBADHN CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508374390 1068559115 /nfs/dbraw/zinc/55/91/15/1068559115.db2.gz APIQYCDOGIOJAR-WBVHZDCISA-N 0 3 484.627 -0.843 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CCO1 ZINC001508374457 1068559220 /nfs/dbraw/zinc/55/92/20/1068559220.db2.gz IPQKFYOPTYZLOP-HSALFYBXSA-N 0 3 498.650 -0.242 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CCO1 ZINC001508374460 1068558883 /nfs/dbraw/zinc/55/88/83/1068558883.db2.gz IPQKFYOPTYZLOP-SLFFLAALSA-N 0 3 498.650 -0.242 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CCO1 ZINC001508374463 1068558970 /nfs/dbraw/zinc/55/89/70/1068558970.db2.gz IPQKFYOPTYZLOP-VAMGGRTRSA-N 0 3 498.650 -0.242 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CCO1 ZINC001508374466 1068559143 /nfs/dbraw/zinc/55/91/43/1068559143.db2.gz IPQKFYOPTYZLOP-XUVXKRRUSA-N 0 3 498.650 -0.242 20 0 JBADHN CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508740089 1068566680 /nfs/dbraw/zinc/56/66/80/1068566680.db2.gz XRQFXITYKCPYOG-GOSISDBHSA-N 0 3 486.639 -0.070 20 0 JBADHN CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001508740100 1068566601 /nfs/dbraw/zinc/56/66/01/1068566601.db2.gz XRQFXITYKCPYOG-SFHVURJKSA-N 0 3 486.639 -0.070 20 0 JBADHN CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508821072 1068569377 /nfs/dbraw/zinc/56/93/77/1068569377.db2.gz KUWSWFXFSPOBHW-GOSISDBHSA-N 0 3 495.650 -0.303 20 0 JBADHN CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001508821074 1068569686 /nfs/dbraw/zinc/56/96/86/1068569686.db2.gz KUWSWFXFSPOBHW-SFHVURJKSA-N 0 3 495.650 -0.303 20 0 JBADHN CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508827215 1068569423 /nfs/dbraw/zinc/56/94/23/1068569423.db2.gz UNEIQXYZMYFSBQ-DLBZAZTESA-N 0 3 460.583 -0.256 20 0 JBADHN CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001508827217 1068569646 /nfs/dbraw/zinc/56/96/46/1068569646.db2.gz UNEIQXYZMYFSBQ-IAGOWNOFSA-N 0 3 460.583 -0.256 20 0 JBADHN CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508827220 1068569486 /nfs/dbraw/zinc/56/94/86/1068569486.db2.gz UNEIQXYZMYFSBQ-IRXDYDNUSA-N 0 3 460.583 -0.256 20 0 JBADHN CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001508827222 1068569545 /nfs/dbraw/zinc/56/95/45/1068569545.db2.gz UNEIQXYZMYFSBQ-SJORKVTESA-N 0 3 460.583 -0.256 20 0 JBADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001508995144 1068570734 /nfs/dbraw/zinc/57/07/34/1068570734.db2.gz AJOVEHRVCTVBQM-JXFKEZNVSA-N 0 3 454.597 -0.306 20 0 JBADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001508995145 1068570893 /nfs/dbraw/zinc/57/08/93/1068570893.db2.gz AJOVEHRVCTVBQM-OXJNMPFZSA-N 0 3 454.597 -0.306 20 0 JBADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001508995146 1068570826 /nfs/dbraw/zinc/57/08/26/1068570826.db2.gz AJOVEHRVCTVBQM-OXQOHEQNSA-N 0 3 454.597 -0.306 20 0 JBADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001508995147 1068570564 /nfs/dbraw/zinc/57/05/64/1068570564.db2.gz AJOVEHRVCTVBQM-UZLBHIALSA-N 0 3 454.597 -0.306 20 0 JBADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 ZINC001509430194 1068573852 /nfs/dbraw/zinc/57/38/52/1068573852.db2.gz POGGZKAYUJZXGE-ROUUACIJSA-N 0 3 472.612 -0.196 20 0 JBADHN CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 ZINC001509430202 1068574024 /nfs/dbraw/zinc/57/40/24/1068574024.db2.gz POGGZKAYUJZXGE-ZWKOTPCHSA-N 0 3 472.612 -0.196 20 0 JBADHN CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CC1 ZINC001509432116 1068574106 /nfs/dbraw/zinc/57/41/06/1068574106.db2.gz UNJRQGZROCBBHG-GOSISDBHSA-N 0 3 499.638 -0.752 20 0 JBADHN CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)CC1 ZINC001509432127 1068574041 /nfs/dbraw/zinc/57/40/41/1068574041.db2.gz UNJRQGZROCBBHG-SFHVURJKSA-N 0 3 499.638 -0.752 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCNS(C)(=O)=O ZINC001509633611 1068579910 /nfs/dbraw/zinc/57/99/10/1068579910.db2.gz FUFIYXVQBZAMGE-UHFFFAOYSA-N 0 3 457.601 -0.486 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001509665602 1068580953 /nfs/dbraw/zinc/58/09/53/1068580953.db2.gz XNICJLNTDUTWJB-UHFFFAOYSA-N 0 3 489.625 -0.037 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H]1CCCN1CCCO ZINC001509666452 1068581068 /nfs/dbraw/zinc/58/10/68/1068581068.db2.gz ZMAMNTPUMNUYGP-INIZCTEOSA-N 0 3 476.582 -0.216 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H]1CCCN1CCCO ZINC001509666455 1068581009 /nfs/dbraw/zinc/58/10/09/1068581009.db2.gz ZMAMNTPUMNUYGP-MRXNPFEDSA-N 0 3 476.582 -0.216 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001509673865 1068581437 /nfs/dbraw/zinc/58/14/37/1068581437.db2.gz ZVPDHJIBQSUIKF-UHFFFAOYSA-N 0 3 484.671 -0.086 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOCCCO ZINC001509678689 1068581612 /nfs/dbraw/zinc/58/16/12/1068581612.db2.gz GRYMNNTYDMCUDA-KRWDZBQOSA-N 0 3 451.572 -0.442 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOCCCO ZINC001509678694 1068581534 /nfs/dbraw/zinc/58/15/34/1068581534.db2.gz GRYMNNTYDMCUDA-QGZVFWFLSA-N 0 3 451.572 -0.442 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNC(=O)C1CC1 ZINC001509679345 1068582152 /nfs/dbraw/zinc/58/21/52/1068582152.db2.gz JIQGOJWXXNGVCV-KRWDZBQOSA-N 0 3 460.583 -0.315 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNC(=O)C1CC1 ZINC001509679350 1068581847 /nfs/dbraw/zinc/58/18/47/1068581847.db2.gz JIQGOJWXXNGVCV-QGZVFWFLSA-N 0 3 460.583 -0.315 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001509680106 1068582203 /nfs/dbraw/zinc/58/22/03/1068582203.db2.gz MUKAQYRLWTXWBV-UHFFFAOYSA-N 0 3 496.638 -0.804 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001509680733 1068581936 /nfs/dbraw/zinc/58/19/36/1068581936.db2.gz OUTBGNOXRCWWGQ-IBGZPJMESA-N 0 3 476.626 -0.119 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001509680737 1068581865 /nfs/dbraw/zinc/58/18/65/1068581865.db2.gz OUTBGNOXRCWWGQ-LJQANCHMSA-N 0 3 476.626 -0.119 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001509680743 1068582027 /nfs/dbraw/zinc/58/20/27/1068582027.db2.gz OYAGXLZSDVROJL-UHFFFAOYSA-N 0 3 495.650 -0.015 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCN1CCCCC1 ZINC001509680948 1068581899 /nfs/dbraw/zinc/58/18/99/1068581899.db2.gz VKBFDAQAPLHWNW-UHFFFAOYSA-N 0 3 490.609 -0.590 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCN1CCCCC1 ZINC001509681810 1068582465 /nfs/dbraw/zinc/58/24/65/1068582465.db2.gz WEZYGPGJOAEGBF-UHFFFAOYSA-N 0 3 476.626 -0.117 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001509681926 1068582613 /nfs/dbraw/zinc/58/26/13/1068582613.db2.gz YOTVRWHBRGEHDE-UHFFFAOYSA-N 0 3 490.609 -0.557 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001509686866 1068584533 /nfs/dbraw/zinc/58/45/33/1068584533.db2.gz ZLCVVLJZLJCDGK-UHFFFAOYSA-N 0 3 463.583 -0.001 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001509690141 1068585347 /nfs/dbraw/zinc/58/53/47/1068585347.db2.gz RTADZMAUNPXPTI-KRWDZBQOSA-N 0 3 469.612 -0.390 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN1CCCS1(=O)=O ZINC001509690149 1068584987 /nfs/dbraw/zinc/58/49/87/1068584987.db2.gz RTADZMAUNPXPTI-QGZVFWFLSA-N 0 3 469.612 -0.390 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001509690586 1068585327 /nfs/dbraw/zinc/58/53/27/1068585327.db2.gz VZOOODNQWRDSKS-KRWDZBQOSA-N 0 3 471.628 -0.097 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001509690588 1068585256 /nfs/dbraw/zinc/58/52/56/1068585256.db2.gz VZOOODNQWRDSKS-QGZVFWFLSA-N 0 3 471.628 -0.097 20 0 JBADHN CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509729942 1068586358 /nfs/dbraw/zinc/58/63/58/1068586358.db2.gz LGTIQQQOZDAODR-GOSISDBHSA-N 0 3 495.650 -0.161 20 0 JBADHN CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509729945 1068586318 /nfs/dbraw/zinc/58/63/18/1068586318.db2.gz LGTIQQQOZDAODR-SFHVURJKSA-N 0 3 495.650 -0.161 20 0 JBADHN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001509761439 1068587925 /nfs/dbraw/zinc/58/79/25/1068587925.db2.gz VDYGEZWCDRTNTR-GOSISDBHSA-N 0 3 499.638 -0.563 20 0 JBADHN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001509761443 1068587873 /nfs/dbraw/zinc/58/78/73/1068587873.db2.gz VDYGEZWCDRTNTR-SFHVURJKSA-N 0 3 499.638 -0.563 20 0 JBADHN CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509767143 1068589228 /nfs/dbraw/zinc/58/92/28/1068589228.db2.gz PLGAEHUZHIMQFX-KRWDZBQOSA-N 0 3 460.583 -0.332 20 0 JBADHN CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509767149 1068589180 /nfs/dbraw/zinc/58/91/80/1068589180.db2.gz PLGAEHUZHIMQFX-QGZVFWFLSA-N 0 3 460.583 -0.332 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001509783180 1068590883 /nfs/dbraw/zinc/59/08/83/1068590883.db2.gz CAPWERDFFDPPIW-UHFFFAOYSA-N 0 3 491.622 -0.193 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509785280 1068591554 /nfs/dbraw/zinc/59/15/54/1068591554.db2.gz MXOCXXWDFGIAQZ-MSOLQXFVSA-N 0 3 483.639 -0.147 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509785284 1068591527 /nfs/dbraw/zinc/59/15/27/1068591527.db2.gz MXOCXXWDFGIAQZ-QZTJIDSGSA-N 0 3 483.639 -0.147 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001509785287 1068591651 /nfs/dbraw/zinc/59/16/51/1068591651.db2.gz MXOCXXWDFGIAQZ-ROUUACIJSA-N 0 3 483.639 -0.147 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001509785295 1068591486 /nfs/dbraw/zinc/59/14/86/1068591486.db2.gz MXOCXXWDFGIAQZ-ZWKOTPCHSA-N 0 3 483.639 -0.147 20 0 JBADHN C[C@@H](CN1CCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001510096885 1068597764 /nfs/dbraw/zinc/59/77/64/1068597764.db2.gz ZLPBIKTWYASJHD-DLBZAZTESA-N 0 3 492.668 -0.176 20 0 JBADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001510096888 1068597808 /nfs/dbraw/zinc/59/78/08/1068597808.db2.gz ZLPBIKTWYASJHD-IAGOWNOFSA-N 0 3 492.668 -0.176 20 0 JBADHN C[C@@H](CN1CCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001510096892 1068597653 /nfs/dbraw/zinc/59/76/53/1068597653.db2.gz ZLPBIKTWYASJHD-IRXDYDNUSA-N 0 3 492.668 -0.176 20 0 JBADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001510096895 1068597584 /nfs/dbraw/zinc/59/75/84/1068597584.db2.gz ZLPBIKTWYASJHD-SJORKVTESA-N 0 3 492.668 -0.176 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510183094 1068604920 /nfs/dbraw/zinc/60/49/20/1068604920.db2.gz IHPDDFKWVBHDPZ-GOSISDBHSA-N 0 3 486.687 -0.317 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510183095 1068605055 /nfs/dbraw/zinc/60/50/55/1068605055.db2.gz IHPDDFKWVBHDPZ-SFHVURJKSA-N 0 3 486.687 -0.317 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001510191151 1068607013 /nfs/dbraw/zinc/60/70/13/1068607013.db2.gz LIXQOARFNPCUKM-KRWDZBQOSA-N 0 3 486.639 -0.022 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001510191153 1068607003 /nfs/dbraw/zinc/60/70/03/1068607003.db2.gz LIXQOARFNPCUKM-QGZVFWFLSA-N 0 3 486.639 -0.022 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510191212 1068606994 /nfs/dbraw/zinc/60/69/94/1068606994.db2.gz LSQKZNOFOKESTG-INIZCTEOSA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510191215 1068607010 /nfs/dbraw/zinc/60/70/10/1068607010.db2.gz LSQKZNOFOKESTG-MRXNPFEDSA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510196570 1068608734 /nfs/dbraw/zinc/60/87/34/1068608734.db2.gz XIUNLCAJQNNFHX-INIZCTEOSA-N 0 3 483.639 -0.037 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510196571 1068608696 /nfs/dbraw/zinc/60/86/96/1068608696.db2.gz XIUNLCAJQNNFHX-MRXNPFEDSA-N 0 3 483.639 -0.037 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510207369 1068612712 /nfs/dbraw/zinc/61/27/12/1068612712.db2.gz BMNLMJFEZDDDMB-INIZCTEOSA-N 0 3 496.638 -0.841 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510207370 1068612738 /nfs/dbraw/zinc/61/27/38/1068612738.db2.gz BMNLMJFEZDDDMB-MRXNPFEDSA-N 0 3 496.638 -0.841 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207714 1068612951 /nfs/dbraw/zinc/61/29/51/1068612951.db2.gz CPCACADNYKEVMN-DOTOQJQBSA-N 0 3 496.638 -0.843 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207718 1068612861 /nfs/dbraw/zinc/61/28/61/1068612861.db2.gz CPCACADNYKEVMN-NVXWUHKLSA-N 0 3 496.638 -0.843 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207723 1068612800 /nfs/dbraw/zinc/61/28/00/1068612800.db2.gz CPCACADNYKEVMN-RDJZCZTQSA-N 0 3 496.638 -0.843 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207727 1068612816 /nfs/dbraw/zinc/61/28/16/1068612816.db2.gz CPCACADNYKEVMN-WBVHZDCISA-N 0 3 496.638 -0.843 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510207885 1068612898 /nfs/dbraw/zinc/61/28/98/1068612898.db2.gz DMJWIJVDSSSARV-HNNXBMFYSA-N 0 3 456.617 -0.807 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510207888 1068612927 /nfs/dbraw/zinc/61/29/27/1068612927.db2.gz DMJWIJVDSSSARV-OAHLLOKOSA-N 0 3 456.617 -0.807 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001510209749 1068613443 /nfs/dbraw/zinc/61/34/43/1068613443.db2.gz IOFMYAJPCDKWPY-HNNXBMFYSA-N 0 3 492.668 -0.252 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001510209764 1068613538 /nfs/dbraw/zinc/61/35/38/1068613538.db2.gz IOFMYAJPCDKWPY-OAHLLOKOSA-N 0 3 492.668 -0.252 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001510211735 1068614659 /nfs/dbraw/zinc/61/46/59/1068614659.db2.gz BUMWEGBMEHIZAX-KRWDZBQOSA-N 0 3 486.639 -0.022 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001510211737 1068614705 /nfs/dbraw/zinc/61/47/05/1068614705.db2.gz BUMWEGBMEHIZAX-QGZVFWFLSA-N 0 3 486.639 -0.022 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001510212744 1068616025 /nfs/dbraw/zinc/61/60/25/1068616025.db2.gz REPKBYZNPDBQSE-FGTMMUONSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001510212745 1068615909 /nfs/dbraw/zinc/61/59/09/1068615909.db2.gz REPKBYZNPDBQSE-OKZBNKHCSA-N 0 3 499.638 -0.827 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510213221 1068616094 /nfs/dbraw/zinc/61/60/94/1068616094.db2.gz IFLWADPCKWFDPH-INIZCTEOSA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510213223 1068615953 /nfs/dbraw/zinc/61/59/53/1068615953.db2.gz IFLWADPCKWFDPH-MRXNPFEDSA-N 0 3 471.628 -0.085 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)N(C)C ZINC001510213463 1068616868 /nfs/dbraw/zinc/61/68/68/1068616868.db2.gz VFJDBETXNSTXJM-CVEARBPZSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)N(C)C ZINC001510213464 1068616825 /nfs/dbraw/zinc/61/68/25/1068616825.db2.gz VFJDBETXNSTXJM-HOTGVXAUSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)N(C)C ZINC001510213465 1068616702 /nfs/dbraw/zinc/61/67/02/1068616702.db2.gz VFJDBETXNSTXJM-HZPDHXFCSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)N(C)C ZINC001510213466 1068616794 /nfs/dbraw/zinc/61/67/94/1068616794.db2.gz VFJDBETXNSTXJM-JKSUJKDBSA-N 0 3 484.627 -0.891 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001510214539 1068618919 /nfs/dbraw/zinc/61/89/19/1068618919.db2.gz OMJNJNNPEUKCSM-ARFHVFGLSA-N 0 3 455.585 -0.675 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001510214541 1068618736 /nfs/dbraw/zinc/61/87/36/1068618736.db2.gz OMJNJNNPEUKCSM-BZUAXINKSA-N 0 3 455.585 -0.675 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001510214543 1068618879 /nfs/dbraw/zinc/61/88/79/1068618879.db2.gz OMJNJNNPEUKCSM-HRCADAONSA-N 0 3 455.585 -0.675 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001510214545 1068618778 /nfs/dbraw/zinc/61/87/78/1068618778.db2.gz OMJNJNNPEUKCSM-OWCLPIDISA-N 0 3 455.585 -0.675 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001510214730 1068619448 /nfs/dbraw/zinc/61/94/48/1068619448.db2.gz PSORRKGHGAPTRZ-ARFHVFGLSA-N 0 3 469.612 -0.144 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001510214732 1068619474 /nfs/dbraw/zinc/61/94/74/1068619474.db2.gz PSORRKGHGAPTRZ-HRCADAONSA-N 0 3 469.612 -0.144 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510214774 1068619490 /nfs/dbraw/zinc/61/94/90/1068619490.db2.gz PXBYXNBLPOOGLW-INIZCTEOSA-N 0 3 483.639 -0.037 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510214777 1068619459 /nfs/dbraw/zinc/61/94/59/1068619459.db2.gz PXBYXNBLPOOGLW-MRXNPFEDSA-N 0 3 483.639 -0.037 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001510214785 1068619428 /nfs/dbraw/zinc/61/94/28/1068619428.db2.gz PYDLNZWDBIFXTG-HNNXBMFYSA-N 0 3 469.612 -0.285 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001510214787 1068619480 /nfs/dbraw/zinc/61/94/80/1068619480.db2.gz PYDLNZWDBIFXTG-OAHLLOKOSA-N 0 3 469.612 -0.285 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(=O)N(C)C ZINC001510214815 1068619502 /nfs/dbraw/zinc/61/95/02/1068619502.db2.gz ZPEABQWOTYRSPV-INIZCTEOSA-N 0 3 484.627 -0.889 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(=O)N(C)C ZINC001510214817 1068619404 /nfs/dbraw/zinc/61/94/04/1068619404.db2.gz ZPEABQWOTYRSPV-MRXNPFEDSA-N 0 3 484.627 -0.889 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001510218398 1068623332 /nfs/dbraw/zinc/62/33/32/1068623332.db2.gz NDXSLRDGMNTXBD-HNNXBMFYSA-N 0 3 477.657 -0.156 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001510218403 1068624007 /nfs/dbraw/zinc/62/40/07/1068624007.db2.gz NDXSLRDGMNTXBD-OAHLLOKOSA-N 0 3 477.657 -0.156 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510220857 1068624748 /nfs/dbraw/zinc/62/47/48/1068624748.db2.gz CCAQVHMMPUXLPY-BBWFWOEESA-N 0 3 498.654 -0.151 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510220872 1068624662 /nfs/dbraw/zinc/62/46/62/1068624662.db2.gz CCAQVHMMPUXLPY-ZACQAIPSSA-N 0 3 498.654 -0.151 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510221998 1068625213 /nfs/dbraw/zinc/62/52/13/1068625213.db2.gz LNUPDLCEJDYFAR-DYESRHJHSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510222004 1068625376 /nfs/dbraw/zinc/62/53/76/1068625376.db2.gz LNUPDLCEJDYFAR-LAUBAEHRSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510222010 1068625314 /nfs/dbraw/zinc/62/53/14/1068625314.db2.gz LNUPDLCEJDYFAR-UTKZUKDTSA-N 0 3 485.655 -0.090 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001510222018 1068625175 /nfs/dbraw/zinc/62/51/75/1068625175.db2.gz LNUPDLCEJDYFAR-UWJYYQICSA-N 0 3 485.655 -0.090 20 0 JBADHN Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001511877923 1068641615 /nfs/dbraw/zinc/64/16/15/1068641615.db2.gz LLMUCTMJWUEZQB-IBGZPJMESA-N 0 3 490.609 -0.963 20 0 JBADHN Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001511877972 1068641528 /nfs/dbraw/zinc/64/15/28/1068641528.db2.gz LLMUCTMJWUEZQB-LJQANCHMSA-N 0 3 490.609 -0.963 20 0 JBADHN Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001511879225 1068641655 /nfs/dbraw/zinc/64/16/55/1068641655.db2.gz XXRKABHBLFBQLD-GOSISDBHSA-N 0 3 462.599 -0.298 20 0 JBADHN Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001511879253 1068642202 /nfs/dbraw/zinc/64/22/02/1068642202.db2.gz XXRKABHBLFBQLD-SFHVURJKSA-N 0 3 462.599 -0.298 20 0 JBADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001511967319 1068642831 /nfs/dbraw/zinc/64/28/31/1068642831.db2.gz AIZLRHCFEOUREQ-BRWVUGGUSA-N 0 3 460.583 -0.161 20 0 JBADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001511967320 1068642947 /nfs/dbraw/zinc/64/29/47/1068642947.db2.gz AIZLRHCFEOUREQ-IKGGRYGDSA-N 0 3 460.583 -0.161 20 0 JBADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001511967321 1068642852 /nfs/dbraw/zinc/64/28/52/1068642852.db2.gz AIZLRHCFEOUREQ-IXDOHACOSA-N 0 3 460.583 -0.161 20 0 JBADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001511967322 1068642893 /nfs/dbraw/zinc/64/28/93/1068642893.db2.gz AIZLRHCFEOUREQ-ZACQAIPSSA-N 0 3 460.583 -0.161 20 0 JBADHN C[C@@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248248 1068645937 /nfs/dbraw/zinc/64/59/37/1068645937.db2.gz ALMNLFBPNQAIBU-CVEARBPZSA-N 0 3 460.626 -0.336 20 0 JBADHN C[C@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248250 1068645845 /nfs/dbraw/zinc/64/58/45/1068645845.db2.gz ALMNLFBPNQAIBU-HOTGVXAUSA-N 0 3 460.626 -0.336 20 0 JBADHN C[C@@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248252 1068645890 /nfs/dbraw/zinc/64/58/90/1068645890.db2.gz ALMNLFBPNQAIBU-HZPDHXFCSA-N 0 3 460.626 -0.336 20 0 JBADHN C[C@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001512248254 1068645526 /nfs/dbraw/zinc/64/55/26/1068645526.db2.gz ALMNLFBPNQAIBU-JKSUJKDBSA-N 0 3 460.626 -0.336 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCN1CCCO[C@H](C)C1 ZINC001512517767 1068651675 /nfs/dbraw/zinc/65/16/75/1068651675.db2.gz FLPAHHWFPLEIHE-CVEARBPZSA-N 0 3 462.642 -0.042 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCN1CCCO[C@@H](C)C1 ZINC001512517777 1068651778 /nfs/dbraw/zinc/65/17/78/1068651778.db2.gz FLPAHHWFPLEIHE-HOTGVXAUSA-N 0 3 462.642 -0.042 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCN1CCCO[C@H](C)C1 ZINC001512517788 1068652541 /nfs/dbraw/zinc/65/25/41/1068652541.db2.gz FLPAHHWFPLEIHE-HZPDHXFCSA-N 0 3 462.642 -0.042 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCN1CCCO[C@@H](C)C1 ZINC001512517797 1068652359 /nfs/dbraw/zinc/65/23/59/1068652359.db2.gz FLPAHHWFPLEIHE-JKSUJKDBSA-N 0 3 462.642 -0.042 20 0 JBADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCN(C)CCOC ZINC001512998872 1068657736 /nfs/dbraw/zinc/65/77/36/1068657736.db2.gz NWSYTSKTYHHUQT-GOSISDBHSA-N 0 3 465.599 -0.123 20 0 JBADHN CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCN(C)CCOC ZINC001512998873 1068657814 /nfs/dbraw/zinc/65/78/14/1068657814.db2.gz NWSYTSKTYHHUQT-SFHVURJKSA-N 0 3 465.599 -0.123 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNS(C)(=O)=O ZINC001513394042 1068662224 /nfs/dbraw/zinc/66/22/24/1068662224.db2.gz DUMAVABWLOHXFA-KRWDZBQOSA-N 0 3 498.654 -0.512 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNS(C)(=O)=O ZINC001513394061 1068662141 /nfs/dbraw/zinc/66/21/41/1068662141.db2.gz DUMAVABWLOHXFA-QGZVFWFLSA-N 0 3 498.654 -0.512 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCCCC1 ZINC001513402206 1068662756 /nfs/dbraw/zinc/66/27/56/1068662756.db2.gz ALKKBNYDMXRDOY-KRWDZBQOSA-N 0 3 460.583 -0.171 20 0 JBADHN CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCCCC1 ZINC001513402207 1068662672 /nfs/dbraw/zinc/66/26/72/1068662672.db2.gz ALKKBNYDMXRDOY-QGZVFWFLSA-N 0 3 460.583 -0.171 20 0 JBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001513913902 1068666832 /nfs/dbraw/zinc/66/68/32/1068666832.db2.gz IRMLTOITAHYNBG-UHFFFAOYSA-N 0 3 482.589 -0.152 20 0 JBADHN CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001513916182 1068667527 /nfs/dbraw/zinc/66/75/27/1068667527.db2.gz QHWUCOKXLWOHAQ-UHFFFAOYSA-N 0 3 462.643 -0.153 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)C1 ZINC001514874330 1068677265 /nfs/dbraw/zinc/67/72/65/1068677265.db2.gz KPJQHBHKKHOBKZ-BBWFWOEESA-N 0 3 454.597 -0.137 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)C1 ZINC001514874337 1068677314 /nfs/dbraw/zinc/67/73/14/1068677314.db2.gz KPJQHBHKKHOBKZ-GVDBMIGSSA-N 0 3 454.597 -0.137 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)C1 ZINC001514874344 1068677168 /nfs/dbraw/zinc/67/71/68/1068677168.db2.gz KPJQHBHKKHOBKZ-ULQDDVLXSA-N 0 3 454.597 -0.137 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)C1 ZINC001514874352 1068677444 /nfs/dbraw/zinc/67/74/44/1068677444.db2.gz KPJQHBHKKHOBKZ-YESZJQIVSA-N 0 3 454.597 -0.137 20 0 JBADHN CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001515302532 1068684450 /nfs/dbraw/zinc/68/44/50/1068684450.db2.gz RVEIGQNLVOJLFH-GOSISDBHSA-N 0 3 499.638 -0.610 20 0 JBADHN CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001515302535 1068684463 /nfs/dbraw/zinc/68/44/63/1068684463.db2.gz RVEIGQNLVOJLFH-SFHVURJKSA-N 0 3 499.638 -0.610 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001515557574 1068690351 /nfs/dbraw/zinc/69/03/51/1068690351.db2.gz GWZRRGHDTMXDSB-FQEVSTJZSA-N 0 3 456.613 -0.059 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001515557580 1068690293 /nfs/dbraw/zinc/69/02/93/1068690293.db2.gz GWZRRGHDTMXDSB-HXUWFJFHSA-N 0 3 456.613 -0.059 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC)CC1 ZINC001515557723 1068690423 /nfs/dbraw/zinc/69/04/23/1068690423.db2.gz CJFXNFJDARTMEC-UHFFFAOYSA-N 0 3 483.639 -0.061 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001515557754 1068690417 /nfs/dbraw/zinc/69/04/17/1068690417.db2.gz CTACADAJBPTSMU-QGZVFWFLSA-N 0 3 460.583 -0.217 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001515558455 1068690435 /nfs/dbraw/zinc/69/04/35/1068690435.db2.gz KCNYYHQMPOZBSI-KRWDZBQOSA-N 0 3 483.639 -0.159 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001515558456 1068690407 /nfs/dbraw/zinc/69/04/07/1068690407.db2.gz KCNYYHQMPOZBSI-QGZVFWFLSA-N 0 3 483.639 -0.159 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCOC2)CC1 ZINC001515559106 1068690448 /nfs/dbraw/zinc/69/04/48/1068690448.db2.gz QKPGXJQKEAUPPY-NRFANRHFSA-N 0 3 451.572 -0.442 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCOC2)CC1 ZINC001515559109 1068690247 /nfs/dbraw/zinc/69/02/47/1068690247.db2.gz QKPGXJQKEAUPPY-OAQYLSRUSA-N 0 3 451.572 -0.442 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N(C)C)CC1 ZINC001515559146 1068690265 /nfs/dbraw/zinc/69/02/65/1068690265.db2.gz RKRQXPLOXIQQRH-UHFFFAOYSA-N 0 3 462.599 -0.017 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NC(C)C)CC1 ZINC001515559266 1068690429 /nfs/dbraw/zinc/69/04/29/1068690429.db2.gz SKZIKUQIVZDXLJ-UHFFFAOYSA-N 0 3 450.588 -0.069 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)CC1 ZINC001515560252 1068690317 /nfs/dbraw/zinc/69/03/17/1068690317.db2.gz DUULPENWFJZMDW-INIZCTEOSA-N 0 3 490.652 -0.785 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(C)(=O)=O)CC1 ZINC001515560261 1068690440 /nfs/dbraw/zinc/69/04/40/1068690440.db2.gz DUULPENWFJZMDW-MRXNPFEDSA-N 0 3 490.652 -0.785 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N(C)C)CC1 ZINC001515561325 1068690335 /nfs/dbraw/zinc/69/03/35/1068690335.db2.gz LJFMOEJNRJSFHX-UHFFFAOYSA-N 0 3 462.599 -0.131 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001515562402 1068690362 /nfs/dbraw/zinc/69/03/62/1068690362.db2.gz NXZYRFSSWMYVHT-AVRDEDQJSA-N 0 3 498.650 -0.024 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001515562407 1068690399 /nfs/dbraw/zinc/69/03/99/1068690399.db2.gz NXZYRFSSWMYVHT-GCJKJVERSA-N 0 3 498.650 -0.024 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)CC1 ZINC001515562411 1068690383 /nfs/dbraw/zinc/69/03/83/1068690383.db2.gz NXZYRFSSWMYVHT-PGRDOPGGSA-N 0 3 498.650 -0.024 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)CC1 ZINC001515562415 1068690173 /nfs/dbraw/zinc/69/01/73/1068690173.db2.gz NXZYRFSSWMYVHT-XMSQKQJNSA-N 0 3 498.650 -0.024 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001515564560 1068690391 /nfs/dbraw/zinc/69/03/91/1068690391.db2.gz YKKCIQIGYLFWOG-HOIFWPIMSA-N 0 3 463.583 -0.241 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001515564566 1068690211 /nfs/dbraw/zinc/69/02/11/1068690211.db2.gz YKKCIQIGYLFWOG-HYFFOGBASA-N 0 3 463.583 -0.241 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001515564568 1068690378 /nfs/dbraw/zinc/69/03/78/1068690378.db2.gz YKKCIQIGYLFWOG-JLHGSKIFSA-N 0 3 463.583 -0.241 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001515564571 1068691253 /nfs/dbraw/zinc/69/12/53/1068691253.db2.gz YKKCIQIGYLFWOG-PNLZDCPESA-N 0 3 463.583 -0.241 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC1 ZINC001515564722 1068690946 /nfs/dbraw/zinc/69/09/46/1068690946.db2.gz WZRXJQDLUZZFMZ-MOPGFXCFSA-N 0 3 476.626 -0.060 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001515564724 1068691222 /nfs/dbraw/zinc/69/12/22/1068691222.db2.gz WZRXJQDLUZZFMZ-OALUTQOASA-N 0 3 476.626 -0.060 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001515564725 1068691117 /nfs/dbraw/zinc/69/11/17/1068691117.db2.gz WZRXJQDLUZZFMZ-RBUKOAKNSA-N 0 3 476.626 -0.060 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC1 ZINC001515564726 1068690905 /nfs/dbraw/zinc/69/09/05/1068690905.db2.gz WZRXJQDLUZZFMZ-RTBURBONSA-N 0 3 476.626 -0.060 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC1 ZINC001515564789 1068690987 /nfs/dbraw/zinc/69/09/87/1068690987.db2.gz XQEDQNQNVWRDHS-INIZCTEOSA-N 0 3 469.612 -0.693 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC1 ZINC001515564790 1068691004 /nfs/dbraw/zinc/69/10/04/1068691004.db2.gz XQEDQNQNVWRDHS-MRXNPFEDSA-N 0 3 469.612 -0.693 20 0 JBADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001515598273 1068691825 /nfs/dbraw/zinc/69/18/25/1068691825.db2.gz CUJLLLNWBKWLHJ-BZUAXINKSA-N 0 3 467.596 -0.943 20 0 JBADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001515598279 1068691841 /nfs/dbraw/zinc/69/18/41/1068691841.db2.gz CUJLLLNWBKWLHJ-OAGGEKHMSA-N 0 3 467.596 -0.943 20 0 JBADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001515598281 1068691971 /nfs/dbraw/zinc/69/19/71/1068691971.db2.gz CUJLLLNWBKWLHJ-OWCLPIDISA-N 0 3 467.596 -0.943 20 0 JBADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001515598286 1068691906 /nfs/dbraw/zinc/69/19/06/1068691906.db2.gz CUJLLLNWBKWLHJ-PMPSAXMXSA-N 0 3 467.596 -0.943 20 0 JBADHN CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001515730081 1068695273 /nfs/dbraw/zinc/69/52/73/1068695273.db2.gz QHQRAJBRBLCMQN-DLBZAZTESA-N 0 3 492.668 -0.035 20 0 JBADHN CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001515730084 1068694813 /nfs/dbraw/zinc/69/48/13/1068694813.db2.gz QHQRAJBRBLCMQN-IAGOWNOFSA-N 0 3 492.668 -0.035 20 0 JBADHN CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001515730087 1068695056 /nfs/dbraw/zinc/69/50/56/1068695056.db2.gz QHQRAJBRBLCMQN-IRXDYDNUSA-N 0 3 492.668 -0.035 20 0 JBADHN CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001515730090 1068694716 /nfs/dbraw/zinc/69/47/16/1068694716.db2.gz QHQRAJBRBLCMQN-SJORKVTESA-N 0 3 492.668 -0.035 20 0 JBADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001515793706 1068699814 /nfs/dbraw/zinc/69/98/14/1068699814.db2.gz YWIQLRMKLYSDFT-INIZCTEOSA-N 0 3 458.571 -0.181 20 0 JBADHN CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001515793711 1068700513 /nfs/dbraw/zinc/70/05/13/1068700513.db2.gz YWIQLRMKLYSDFT-MRXNPFEDSA-N 0 3 458.571 -0.181 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001515800861 1068700649 /nfs/dbraw/zinc/70/06/49/1068700649.db2.gz GVPSITTVIBZBFS-ILXRZTDVSA-N 0 3 465.646 -0.254 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001515800865 1068700350 /nfs/dbraw/zinc/70/03/50/1068700350.db2.gz GVPSITTVIBZBFS-KKUMJFAQSA-N 0 3 465.646 -0.254 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001515800868 1068700442 /nfs/dbraw/zinc/70/04/42/1068700442.db2.gz GVPSITTVIBZBFS-QLFBSQMISA-N 0 3 465.646 -0.254 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001515800870 1068700710 /nfs/dbraw/zinc/70/07/10/1068700710.db2.gz GVPSITTVIBZBFS-SOUVJXGZSA-N 0 3 465.646 -0.254 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@@H]1C ZINC001515813537 1068700741 /nfs/dbraw/zinc/70/07/41/1068700741.db2.gz QJLFBWFIWHFQER-HRCADAONSA-N 0 3 457.601 -0.334 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@@H]1C ZINC001515813538 1068700620 /nfs/dbraw/zinc/70/06/20/1068700620.db2.gz QJLFBWFIWHFQER-JYJNAYRXSA-N 0 3 457.601 -0.334 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@H]1C ZINC001515813540 1068700763 /nfs/dbraw/zinc/70/07/63/1068700763.db2.gz QJLFBWFIWHFQER-OWCLPIDISA-N 0 3 457.601 -0.334 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C[C@H]1C ZINC001515813543 1068700917 /nfs/dbraw/zinc/70/09/17/1068700917.db2.gz QJLFBWFIWHFQER-PMPSAXMXSA-N 0 3 457.601 -0.334 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001515817284 1068700875 /nfs/dbraw/zinc/70/08/75/1068700875.db2.gz WHSIUMCVBXGFSW-HRCADAONSA-N 0 3 493.656 -0.921 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001515817287 1068700680 /nfs/dbraw/zinc/70/06/80/1068700680.db2.gz WHSIUMCVBXGFSW-JYJNAYRXSA-N 0 3 493.656 -0.921 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001515817288 1068700553 /nfs/dbraw/zinc/70/05/53/1068700553.db2.gz WHSIUMCVBXGFSW-OWCLPIDISA-N 0 3 493.656 -0.921 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001515817289 1068700965 /nfs/dbraw/zinc/70/09/65/1068700965.db2.gz WHSIUMCVBXGFSW-PMPSAXMXSA-N 0 3 493.656 -0.921 20 0 JBADHN CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CC1=O ZINC001515889342 1068704511 /nfs/dbraw/zinc/70/45/11/1068704511.db2.gz XJHVGHKDPJTLSV-KRWDZBQOSA-N 0 3 487.627 -0.752 20 0 JBADHN CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CC1=O ZINC001515889344 1068704652 /nfs/dbraw/zinc/70/46/52/1068704652.db2.gz XJHVGHKDPJTLSV-QGZVFWFLSA-N 0 3 487.627 -0.752 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)CC1 ZINC001515899150 1068705633 /nfs/dbraw/zinc/70/56/33/1068705633.db2.gz NKOPSLNRRQQIQH-MSOLQXFVSA-N 0 3 473.644 -0.280 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)CC1 ZINC001515899152 1068705020 /nfs/dbraw/zinc/70/50/20/1068705020.db2.gz NKOPSLNRRQQIQH-QZTJIDSGSA-N 0 3 473.644 -0.280 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)CC1 ZINC001515899154 1068705285 /nfs/dbraw/zinc/70/52/85/1068705285.db2.gz NKOPSLNRRQQIQH-ROUUACIJSA-N 0 3 473.644 -0.280 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCOC)CC1 ZINC001515899156 1068705185 /nfs/dbraw/zinc/70/51/85/1068705185.db2.gz NKOPSLNRRQQIQH-ZWKOTPCHSA-N 0 3 473.644 -0.280 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001515899648 1068705603 /nfs/dbraw/zinc/70/56/03/1068705603.db2.gz ITHDWOQTSAVUIX-FQEVSTJZSA-N 0 3 490.653 -0.065 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001515899656 1068705443 /nfs/dbraw/zinc/70/54/43/1068705443.db2.gz ITHDWOQTSAVUIX-HXUWFJFHSA-N 0 3 490.653 -0.065 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)CC1 ZINC001515899881 1068705352 /nfs/dbraw/zinc/70/53/52/1068705352.db2.gz PWNQGFBGNHCZCD-MSOLQXFVSA-N 0 3 485.655 -0.138 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)CC1 ZINC001515899885 1068705556 /nfs/dbraw/zinc/70/55/56/1068705556.db2.gz PWNQGFBGNHCZCD-QZTJIDSGSA-N 0 3 485.655 -0.138 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)CC1 ZINC001515899887 1068705051 /nfs/dbraw/zinc/70/50/51/1068705051.db2.gz PWNQGFBGNHCZCD-ROUUACIJSA-N 0 3 485.655 -0.138 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)CC1 ZINC001515899888 1068705500 /nfs/dbraw/zinc/70/55/00/1068705500.db2.gz PWNQGFBGNHCZCD-ZWKOTPCHSA-N 0 3 485.655 -0.138 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001515900391 1068705159 /nfs/dbraw/zinc/70/51/59/1068705159.db2.gz DMRPIFMARCRWCJ-CVEARBPZSA-N 0 3 456.617 -0.759 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001515900392 1068705087 /nfs/dbraw/zinc/70/50/87/1068705087.db2.gz DMRPIFMARCRWCJ-HOTGVXAUSA-N 0 3 456.617 -0.759 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001515900393 1068705250 /nfs/dbraw/zinc/70/52/50/1068705250.db2.gz DMRPIFMARCRWCJ-HZPDHXFCSA-N 0 3 456.617 -0.759 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001515900394 1068705389 /nfs/dbraw/zinc/70/53/89/1068705389.db2.gz DMRPIFMARCRWCJ-JKSUJKDBSA-N 0 3 456.617 -0.759 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)CC1 ZINC001515901216 1068706215 /nfs/dbraw/zinc/70/62/15/1068706215.db2.gz NQSQWJQKYFISHZ-CBGDNZLLSA-N 0 3 482.655 -0.227 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)CC1 ZINC001515901224 1068706151 /nfs/dbraw/zinc/70/61/51/1068706151.db2.gz NQSQWJQKYFISHZ-LLGFUMIMSA-N 0 3 482.655 -0.227 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)CC1 ZINC001515901225 1068705868 /nfs/dbraw/zinc/70/58/68/1068705868.db2.gz NQSQWJQKYFISHZ-LZJOCLMNSA-N 0 3 482.655 -0.227 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)CC1 ZINC001515901227 1068706399 /nfs/dbraw/zinc/70/63/99/1068706399.db2.gz NQSQWJQKYFISHZ-WWMYMODYSA-N 0 3 482.655 -0.227 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001515902298 1068706360 /nfs/dbraw/zinc/70/63/60/1068706360.db2.gz DQRFBFLTVUIOQT-GOSISDBHSA-N 0 3 496.682 -0.056 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001515902325 1068705971 /nfs/dbraw/zinc/70/59/71/1068705971.db2.gz DQRFBFLTVUIOQT-SFHVURJKSA-N 0 3 496.682 -0.056 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001515903719 1068706289 /nfs/dbraw/zinc/70/62/89/1068706289.db2.gz VUUYICWTIUNTCO-FGTMMUONSA-N 0 3 482.655 -0.275 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001515903721 1068706252 /nfs/dbraw/zinc/70/62/52/1068706252.db2.gz VUUYICWTIUNTCO-KURKYZTESA-N 0 3 482.655 -0.275 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001515903723 1068706088 /nfs/dbraw/zinc/70/60/88/1068706088.db2.gz VUUYICWTIUNTCO-KZNAEPCWSA-N 0 3 482.655 -0.275 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001515903725 1068706450 /nfs/dbraw/zinc/70/64/50/1068706450.db2.gz VUUYICWTIUNTCO-SQNIBIBYSA-N 0 3 482.655 -0.275 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001515904929 1068707239 /nfs/dbraw/zinc/70/72/39/1068707239.db2.gz ZEAVTWBMSFHXSV-MSOLQXFVSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001515904930 1068707351 /nfs/dbraw/zinc/70/73/51/1068707351.db2.gz ZEAVTWBMSFHXSV-QZTJIDSGSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001515904931 1068706878 /nfs/dbraw/zinc/70/68/78/1068706878.db2.gz ZEAVTWBMSFHXSV-ROUUACIJSA-N 0 3 484.671 -0.027 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001515904932 1068706781 /nfs/dbraw/zinc/70/67/81/1068706781.db2.gz ZEAVTWBMSFHXSV-ZWKOTPCHSA-N 0 3 484.671 -0.027 20 0 JBADHN 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ZINC001528267539 1068891965 /nfs/dbraw/zinc/89/19/65/1068891965.db2.gz XWVYVYSPRMWTOG-UHFFFAOYSA-N 0 3 456.565 -0.192 20 0 JBADHN COc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001530762249 1068893307 /nfs/dbraw/zinc/89/33/07/1068893307.db2.gz PPKASUOTXCCBOH-UHFFFAOYSA-N 0 3 454.549 -0.438 20 0 JBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001530772175 1068893259 /nfs/dbraw/zinc/89/32/59/1068893259.db2.gz SEQYUOMEVVWBKX-UHFFFAOYSA-N 0 3 454.549 -0.438 20 0 JBADHN CN(C)CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC001530772183 1068893073 /nfs/dbraw/zinc/89/30/73/1068893073.db2.gz SKICLRZNPWMOPT-UHFFFAOYSA-N 0 3 452.577 -0.128 20 0 JBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CCN(C)C)CC(=O)N(C)C)CC2)c1 ZINC001532054192 1068895177 /nfs/dbraw/zinc/89/51/77/1068895177.db2.gz CWFFHAPJTBOGKW-UHFFFAOYSA-N 0 3 453.609 -0.075 20 0 JBADHN COCCN1C(=O)c2ccc(C(=O)N3CCOC[C@@]3(COC)CN(C)C)cc2S1(=O)=O ZINC001533309422 1068896566 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1068922748 /nfs/dbraw/zinc/92/27/48/1068922748.db2.gz VTWIQCBJOWJBID-HYVNUMGLSA-N 0 3 496.563 -0.011 20 0 JBADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)C[C@@H]2C)CC1 ZINC001540974005 1068922583 /nfs/dbraw/zinc/92/25/83/1068922583.db2.gz VTWIQCBJOWJBID-USXIJHARSA-N 0 3 496.563 -0.011 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001541070227 1068929378 /nfs/dbraw/zinc/92/93/78/1068929378.db2.gz CMNHBPGGHSLFJJ-GOSISDBHSA-N 0 3 464.615 -0.216 20 0 JBADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001541070234 1068929362 /nfs/dbraw/zinc/92/93/62/1068929362.db2.gz CMNHBPGGHSLFJJ-SFHVURJKSA-N 0 3 464.615 -0.216 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001541070282 1068929442 /nfs/dbraw/zinc/92/94/42/1068929442.db2.gz CZQCHYQZEOKUEP-MOPGFXCFSA-N 0 3 492.625 -0.300 20 0 JBADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001541070288 1068929461 /nfs/dbraw/zinc/92/94/61/1068929461.db2.gz CZQCHYQZEOKUEP-OALUTQOASA-N 0 3 492.625 -0.300 20 0 JBADHN CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001541070291 1068929480 /nfs/dbraw/zinc/92/94/80/1068929480.db2.gz CZQCHYQZEOKUEP-RBUKOAKNSA-N 0 3 492.625 -0.300 20 0 JBADHN CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001541070293 1068929300 /nfs/dbraw/zinc/92/93/00/1068929300.db2.gz CZQCHYQZEOKUEP-RTBURBONSA-N 0 3 492.625 -0.300 20 0 JBADHN CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001541082755 1068931826 /nfs/dbraw/zinc/93/18/26/1068931826.db2.gz AWUOYBKOXVOCPP-INIZCTEOSA-N 0 3 471.628 -0.037 20 0 JBADHN CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001541082756 1068931793 /nfs/dbraw/zinc/93/17/93/1068931793.db2.gz AWUOYBKOXVOCPP-MRXNPFEDSA-N 0 3 471.628 -0.037 20 0 JBADHN CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001541091009 1068932211 /nfs/dbraw/zinc/93/22/11/1068932211.db2.gz CAHKZNZZFDXSPY-IBGZPJMESA-N 0 3 499.638 -0.562 20 0 JBADHN CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001541091013 1068932147 /nfs/dbraw/zinc/93/21/47/1068932147.db2.gz CAHKZNZZFDXSPY-LJQANCHMSA-N 0 3 499.638 -0.562 20 0 JBADHN CC(C)(C)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 ZINC001541194345 1068934422 /nfs/dbraw/zinc/93/44/22/1068934422.db2.gz AMILJOANXFFILM-IAGOWNOFSA-N 0 3 472.612 -0.053 20 0 JBADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 ZINC001541194346 1068934453 /nfs/dbraw/zinc/93/44/53/1068934453.db2.gz AMILJOANXFFILM-SJORKVTESA-N 0 3 472.612 -0.053 20 0 JBADHN CC(C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541283948 1068936998 /nfs/dbraw/zinc/93/69/98/1068936998.db2.gz PMZRGQDCZWHVJW-KRWDZBQOSA-N 0 3 498.654 -0.595 20 0 JBADHN CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001541283949 1068936932 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/nfs/dbraw/zinc/94/12/20/1068941220.db2.gz BGYQFPPAQVRGLE-QRVBRYPASA-N 0 3 485.655 -0.234 20 0 JBADHN CC(C)CN1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)C1 ZINC001541567427 1068941372 /nfs/dbraw/zinc/94/13/72/1068941372.db2.gz BGYQFPPAQVRGLE-QYZOEREBSA-N 0 3 485.655 -0.234 20 0 JBADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001541617775 1068942432 /nfs/dbraw/zinc/94/24/32/1068942432.db2.gz QSFJDVRGLQLKJK-DLBZAZTESA-N 0 3 481.623 -0.554 20 0 JBADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001541617776 1068942502 /nfs/dbraw/zinc/94/25/02/1068942502.db2.gz QSFJDVRGLQLKJK-IAGOWNOFSA-N 0 3 481.623 -0.554 20 0 JBADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001541617777 1068942417 /nfs/dbraw/zinc/94/24/17/1068942417.db2.gz QSFJDVRGLQLKJK-IRXDYDNUSA-N 0 3 481.623 -0.554 20 0 JBADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001541617778 1068942455 /nfs/dbraw/zinc/94/24/55/1068942455.db2.gz QSFJDVRGLQLKJK-SJORKVTESA-N 0 3 481.623 -0.554 20 0 JBADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001541632140 1068943837 /nfs/dbraw/zinc/94/38/37/1068943837.db2.gz CCHUBLDUZLMOSR-KRWDZBQOSA-N 0 3 497.666 -0.059 20 0 JBADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001541632141 1068943930 /nfs/dbraw/zinc/94/39/30/1068943930.db2.gz CCHUBLDUZLMOSR-QGZVFWFLSA-N 0 3 497.666 -0.059 20 0 JBADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001541632557 1068944372 /nfs/dbraw/zinc/94/43/72/1068944372.db2.gz PKIFADJWMZQTOA-IBGZPJMESA-N 0 3 490.653 -0.019 20 0 JBADHN CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001541632558 1068944900 /nfs/dbraw/zinc/94/49/00/1068944900.db2.gz PKIFADJWMZQTOA-LJQANCHMSA-N 0 3 490.653 -0.019 20 0 JBADHN CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541636293 1068945770 /nfs/dbraw/zinc/94/57/70/1068945770.db2.gz BMRVLVANDNUDIU-UHFFFAOYSA-N 0 3 464.615 -0.263 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCCN1CCCO ZINC001541659374 1068947088 /nfs/dbraw/zinc/94/70/88/1068947088.db2.gz VNAGYLSQMXUJKV-KRWDZBQOSA-N 0 3 471.628 -0.219 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1CCCN1CCCO ZINC001541659375 1068947179 /nfs/dbraw/zinc/94/71/79/1068947179.db2.gz VNAGYLSQMXUJKV-QGZVFWFLSA-N 0 3 471.628 -0.219 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001541672133 1068948635 /nfs/dbraw/zinc/94/86/35/1068948635.db2.gz BQOBEOLCBPMNJE-AWEZNQCLSA-N 0 3 488.515 -0.162 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(=O)NCC(F)(F)F ZINC001541672134 1068948651 /nfs/dbraw/zinc/94/86/51/1068948651.db2.gz BQOBEOLCBPMNJE-CQSZACIVSA-N 0 3 488.515 -0.162 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001541672256 1068948817 /nfs/dbraw/zinc/94/88/17/1068948817.db2.gz HDSNIGRWGMCHJU-HTAPYJJXSA-N 0 3 463.583 -0.299 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001541672257 1068948687 /nfs/dbraw/zinc/94/86/87/1068948687.db2.gz HDSNIGRWGMCHJU-JTSKRJEESA-N 0 3 463.583 -0.299 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001541672258 1068948735 /nfs/dbraw/zinc/94/87/35/1068948735.db2.gz HDSNIGRWGMCHJU-VGOFRKELSA-N 0 3 463.583 -0.299 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001541672259 1068948676 /nfs/dbraw/zinc/94/86/76/1068948676.db2.gz HDSNIGRWGMCHJU-VGSWGCGISA-N 0 3 463.583 -0.299 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCc1cnn(C)n1 ZINC001541672641 1068948717 /nfs/dbraw/zinc/94/87/17/1068948717.db2.gz VBTIFFRSIQUSNH-UHFFFAOYSA-N 0 3 472.598 -0.078 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001541672754 1068949384 /nfs/dbraw/zinc/94/93/84/1068949384.db2.gz YFZHGUQRHKJWJA-UHFFFAOYSA-N 0 3 455.585 -0.795 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCCN1CCCO ZINC001541674572 1068949810 /nfs/dbraw/zinc/94/98/10/1068949810.db2.gz FYAVOQVFVVUOQW-KRWDZBQOSA-N 0 3 473.582 -0.150 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCCN1CCCO ZINC001541674573 1068949858 /nfs/dbraw/zinc/94/98/58/1068949858.db2.gz FYAVOQVFVVUOQW-QGZVFWFLSA-N 0 3 473.582 -0.150 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(=O)N1CCOCC1 ZINC001541676352 1068950265 /nfs/dbraw/zinc/95/02/65/1068950265.db2.gz QZSDIUSWNWDDHV-QGZVFWFLSA-N 0 3 463.583 -0.035 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCCC(C)(C)C1 ZINC001541677817 1068950863 /nfs/dbraw/zinc/95/08/63/1068950863.db2.gz KVMBRHOQLQHFNG-INIZCTEOSA-N 0 3 460.583 -0.315 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCCC(C)(C)C1 ZINC001541677818 1068950749 /nfs/dbraw/zinc/95/07/49/1068950749.db2.gz KVMBRHOQLQHFNG-MRXNPFEDSA-N 0 3 460.583 -0.315 20 0 JBADHN CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541696844 1068952158 /nfs/dbraw/zinc/95/21/58/1068952158.db2.gz LFUWXDVIIWJYNB-KRWDZBQOSA-N 0 3 460.583 -0.219 20 0 JBADHN CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541696845 1068952250 /nfs/dbraw/zinc/95/22/50/1068952250.db2.gz LFUWXDVIIWJYNB-QGZVFWFLSA-N 0 3 460.583 -0.219 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001541711895 1068954142 /nfs/dbraw/zinc/95/41/42/1068954142.db2.gz IRHAUANFRVHEAR-DLBZAZTESA-N 0 3 469.612 -0.285 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001541711896 1068954179 /nfs/dbraw/zinc/95/41/79/1068954179.db2.gz IRHAUANFRVHEAR-IAGOWNOFSA-N 0 3 469.612 -0.285 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001541711897 1068954121 /nfs/dbraw/zinc/95/41/21/1068954121.db2.gz IRHAUANFRVHEAR-IRXDYDNUSA-N 0 3 469.612 -0.285 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001541711898 1068954168 /nfs/dbraw/zinc/95/41/68/1068954168.db2.gz IRHAUANFRVHEAR-SJORKVTESA-N 0 3 469.612 -0.285 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001541713979 1068955066 /nfs/dbraw/zinc/95/50/66/1068955066.db2.gz MESDVTCPGWVYSJ-GOSISDBHSA-N 0 3 483.639 -0.113 20 0 JBADHN CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001541713980 1068955123 /nfs/dbraw/zinc/95/51/23/1068955123.db2.gz MESDVTCPGWVYSJ-SFHVURJKSA-N 0 3 483.639 -0.113 20 0 JBADHN C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541812771 1068957865 /nfs/dbraw/zinc/95/78/65/1068957865.db2.gz JWCTYIHGAFQXMJ-CVEARBPZSA-N 0 3 455.629 -0.094 20 0 JBADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541812772 1068957919 /nfs/dbraw/zinc/95/79/19/1068957919.db2.gz JWCTYIHGAFQXMJ-HOTGVXAUSA-N 0 3 455.629 -0.094 20 0 JBADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541812773 1068958067 /nfs/dbraw/zinc/95/80/67/1068958067.db2.gz JWCTYIHGAFQXMJ-HZPDHXFCSA-N 0 3 455.629 -0.094 20 0 JBADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001541812774 1068958036 /nfs/dbraw/zinc/95/80/36/1068958036.db2.gz JWCTYIHGAFQXMJ-JKSUJKDBSA-N 0 3 455.629 -0.094 20 0 JBADHN C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001541908397 1068960952 /nfs/dbraw/zinc/96/09/52/1068960952.db2.gz NIRMXVHNFYIIHR-CABCVRRESA-N 0 3 458.633 -0.386 20 0 JBADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001541908398 1068960997 /nfs/dbraw/zinc/96/09/97/1068960997.db2.gz NIRMXVHNFYIIHR-GJZGRUSLSA-N 0 3 458.633 -0.386 20 0 JBADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001541908399 1068960910 /nfs/dbraw/zinc/96/09/10/1068960910.db2.gz NIRMXVHNFYIIHR-HUUCEWRRSA-N 0 3 458.633 -0.386 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001541908400 1068961470 /nfs/dbraw/zinc/96/14/70/1068961470.db2.gz NIRMXVHNFYIIHR-LSDHHAIUSA-N 0 3 458.633 -0.386 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001541918193 1068963344 /nfs/dbraw/zinc/96/33/44/1068963344.db2.gz PBQXBLNDLYIUKM-IKGGRYGDSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001541918194 1068963410 /nfs/dbraw/zinc/96/34/10/1068963410.db2.gz PBQXBLNDLYIUKM-IXDOHACOSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001541918195 1068963446 /nfs/dbraw/zinc/96/34/46/1068963446.db2.gz PBQXBLNDLYIUKM-ULQDDVLXSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001541918196 1068963506 /nfs/dbraw/zinc/96/35/06/1068963506.db2.gz PBQXBLNDLYIUKM-YESZJQIVSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541927663 1068965752 /nfs/dbraw/zinc/96/57/52/1068965752.db2.gz OGILQAZBKQOSEM-AEFFLSMTSA-N 0 3 472.612 -0.148 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541927664 1068965720 /nfs/dbraw/zinc/96/57/20/1068965720.db2.gz OGILQAZBKQOSEM-WMZOPIPTSA-N 0 3 472.612 -0.148 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C ZINC001541941221 1068971348 /nfs/dbraw/zinc/97/13/48/1068971348.db2.gz GTXQOZHNNZCFMC-AWEZNQCLSA-N 0 3 465.646 -0.300 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C ZINC001541941222 1068971299 /nfs/dbraw/zinc/97/12/99/1068971299.db2.gz GTXQOZHNNZCFMC-CQSZACIVSA-N 0 3 465.646 -0.300 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001541941427 1068971359 /nfs/dbraw/zinc/97/13/59/1068971359.db2.gz KKTGRUWZVMDJKC-INIZCTEOSA-N 0 3 479.611 -0.402 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001541941428 1068971384 /nfs/dbraw/zinc/97/13/84/1068971384.db2.gz KKTGRUWZVMDJKC-MRXNPFEDSA-N 0 3 479.611 -0.402 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001541941527 1068971809 /nfs/dbraw/zinc/97/18/09/1068971809.db2.gz MAAYPEDXRQVYIJ-DLBZAZTESA-N 0 3 485.611 -0.952 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001541941528 1068971859 /nfs/dbraw/zinc/97/18/59/1068971859.db2.gz MAAYPEDXRQVYIJ-IAGOWNOFSA-N 0 3 485.611 -0.952 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCn1cccn1 ZINC001541941619 1068971850 /nfs/dbraw/zinc/97/18/50/1068971850.db2.gz NUCXRCUVOYMAFO-GOSISDBHSA-N 0 3 493.638 -0.081 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCn1cccn1 ZINC001541941620 1068971736 /nfs/dbraw/zinc/97/17/36/1068971736.db2.gz NUCXRCUVOYMAFO-SFHVURJKSA-N 0 3 493.638 -0.081 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCCCO ZINC001541941733 1068971775 /nfs/dbraw/zinc/97/17/75/1068971775.db2.gz PLJCHYNIDAHIJN-DLBZAZTESA-N 0 3 471.628 -0.206 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCCCO ZINC001541941734 1068971766 /nfs/dbraw/zinc/97/17/66/1068971766.db2.gz PLJCHYNIDAHIJN-IAGOWNOFSA-N 0 3 471.628 -0.206 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCCCO ZINC001541941735 1068971840 /nfs/dbraw/zinc/97/18/40/1068971840.db2.gz PLJCHYNIDAHIJN-IRXDYDNUSA-N 0 3 471.628 -0.206 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCCCO ZINC001541941736 1068972294 /nfs/dbraw/zinc/97/22/94/1068972294.db2.gz PLJCHYNIDAHIJN-SJORKVTESA-N 0 3 471.628 -0.206 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1cn[nH]c1 ZINC001541941965 1068972380 /nfs/dbraw/zinc/97/23/80/1068972380.db2.gz UPNMVMRYQBSAHC-DOTOQJQBSA-N 0 3 479.611 -0.403 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1cn[nH]c1 ZINC001541941966 1068972439 /nfs/dbraw/zinc/97/24/39/1068972439.db2.gz UPNMVMRYQBSAHC-NVXWUHKLSA-N 0 3 479.611 -0.403 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1cn[nH]c1 ZINC001541941967 1068972274 /nfs/dbraw/zinc/97/22/74/1068972274.db2.gz UPNMVMRYQBSAHC-RDJZCZTQSA-N 0 3 479.611 -0.403 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1cn[nH]c1 ZINC001541941968 1068972310 /nfs/dbraw/zinc/97/23/10/1068972310.db2.gz UPNMVMRYQBSAHC-WBVHZDCISA-N 0 3 479.611 -0.403 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOCC(F)F ZINC001541942001 1068972406 /nfs/dbraw/zinc/97/24/06/1068972406.db2.gz VIERWVYDSFZYKY-CABCVRRESA-N 0 3 493.581 -0.087 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOCC(F)F ZINC001541942002 1068972333 /nfs/dbraw/zinc/97/23/33/1068972333.db2.gz VIERWVYDSFZYKY-GJZGRUSLSA-N 0 3 493.581 -0.087 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOCC(F)F ZINC001541942003 1068972250 /nfs/dbraw/zinc/97/22/50/1068972250.db2.gz VIERWVYDSFZYKY-HUUCEWRRSA-N 0 3 493.581 -0.087 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOCC(F)F ZINC001541942004 1068972828 /nfs/dbraw/zinc/97/28/28/1068972828.db2.gz VIERWVYDSFZYKY-LSDHHAIUSA-N 0 3 493.581 -0.087 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541943893 1068974579 /nfs/dbraw/zinc/97/45/79/1068974579.db2.gz GGJZTYYAKWEPKL-RDJZCZTQSA-N 0 3 458.585 -0.395 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541943894 1068974617 /nfs/dbraw/zinc/97/46/17/1068974617.db2.gz GGJZTYYAKWEPKL-WBVHZDCISA-N 0 3 458.585 -0.395 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944794 1068975863 /nfs/dbraw/zinc/97/58/63/1068975863.db2.gz XNSWEDBAAUJZRY-CVEARBPZSA-N 0 3 452.585 -0.171 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944795 1068975978 /nfs/dbraw/zinc/97/59/78/1068975978.db2.gz XNSWEDBAAUJZRY-HOTGVXAUSA-N 0 3 452.585 -0.171 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944796 1068976022 /nfs/dbraw/zinc/97/60/22/1068976022.db2.gz XNSWEDBAAUJZRY-HZPDHXFCSA-N 0 3 452.585 -0.171 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944797 1068975926 /nfs/dbraw/zinc/97/59/26/1068975926.db2.gz XNSWEDBAAUJZRY-JKSUJKDBSA-N 0 3 452.585 -0.171 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541944906 1068975951 /nfs/dbraw/zinc/97/59/51/1068975951.db2.gz YXSSXDIQRAAXJJ-AEFFLSMTSA-N 0 3 472.612 -0.148 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541944907 1068975998 /nfs/dbraw/zinc/97/59/98/1068975998.db2.gz YXSSXDIQRAAXJJ-WMZOPIPTSA-N 0 3 472.612 -0.148 20 0 JBADHN 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CC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CCO1 ZINC001546754595 1069021870 /nfs/dbraw/zinc/02/18/70/1069021870.db2.gz OVCOZUZCNBAMNY-DLBZAZTESA-N 0 3 460.601 -0.196 20 0 JBADHN CC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CCO1 ZINC001546754596 1069022086 /nfs/dbraw/zinc/02/20/86/1069022086.db2.gz OVCOZUZCNBAMNY-IAGOWNOFSA-N 0 3 460.601 -0.196 20 0 JBADHN CC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CCO1 ZINC001546754597 1069022221 /nfs/dbraw/zinc/02/22/21/1069022221.db2.gz OVCOZUZCNBAMNY-IRXDYDNUSA-N 0 3 460.601 -0.196 20 0 JBADHN CC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCOC)CCO1 ZINC001546754598 1069021780 /nfs/dbraw/zinc/02/17/80/1069021780.db2.gz OVCOZUZCNBAMNY-SJORKVTESA-N 0 3 460.601 -0.196 20 0 JBADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001547174668 1069026517 /nfs/dbraw/zinc/02/65/17/1069026517.db2.gz GWKMDXWOADMIIW-DLBZAZTESA-N 0 3 474.653 -0.006 20 0 JBADHN 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CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001547247409 1069028621 /nfs/dbraw/zinc/02/86/21/1069028621.db2.gz ATYVBJVVFPWLAJ-JKSUJKDBSA-N 0 3 484.627 -0.843 20 0 JBADHN CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001547247471 1069028998 /nfs/dbraw/zinc/02/89/98/1069028998.db2.gz BZOIGADWRHXITF-HNNXBMFYSA-N 0 3 457.601 -0.285 20 0 JBADHN CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001547247476 1069029039 /nfs/dbraw/zinc/02/90/39/1069029039.db2.gz BZOIGADWRHXITF-OAHLLOKOSA-N 0 3 457.601 -0.285 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001547474012 1069036645 /nfs/dbraw/zinc/03/66/45/1069036645.db2.gz FLDCYGOWCMOXLJ-HTAPYJJXSA-N 0 3 465.599 -0.053 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001547474013 1069036492 /nfs/dbraw/zinc/03/64/92/1069036492.db2.gz FLDCYGOWCMOXLJ-JTSKRJEESA-N 0 3 465.599 -0.053 20 0 JBADHN 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CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 ZINC001547474691 1069036577 /nfs/dbraw/zinc/03/65/77/1069036577.db2.gz BAGTZILEPQGNIK-DLBZAZTESA-N 0 3 487.627 -0.706 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 ZINC001547474692 1069036544 /nfs/dbraw/zinc/03/65/44/1069036544.db2.gz BAGTZILEPQGNIK-IAGOWNOFSA-N 0 3 487.627 -0.706 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)CC1 ZINC001547474829 1069036606 /nfs/dbraw/zinc/03/66/06/1069036606.db2.gz ABPCRFPWICQLKO-UHFFFAOYSA-N 0 3 485.593 -0.026 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001547474859 1069036662 /nfs/dbraw/zinc/03/66/62/1069036662.db2.gz ASLPYUJXQFRCBQ-AWEZNQCLSA-N 0 3 488.515 -0.102 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001547474866 1069036619 /nfs/dbraw/zinc/03/66/19/1069036619.db2.gz ASLPYUJXQFRCBQ-CQSZACIVSA-N 0 3 488.515 -0.102 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001547475354 1069037458 /nfs/dbraw/zinc/03/74/58/1069037458.db2.gz LHQNIKHBVBPWDL-UHFFFAOYSA-N 0 3 487.609 -0.049 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCOCC2)CC1 ZINC001547475540 1069037544 /nfs/dbraw/zinc/03/75/44/1069037544.db2.gz NALHIUWEAOLQGU-KRWDZBQOSA-N 0 3 463.583 -0.239 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCOCC2)CC1 ZINC001547475542 1069037485 /nfs/dbraw/zinc/03/74/85/1069037485.db2.gz NALHIUWEAOLQGU-QGZVFWFLSA-N 0 3 463.583 -0.239 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001547475682 1069037591 /nfs/dbraw/zinc/03/75/91/1069037591.db2.gz PFXXDCUBHMONQP-UHFFFAOYSA-N 0 3 479.611 -0.383 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001547475903 1069037520 /nfs/dbraw/zinc/03/75/20/1069037520.db2.gz VDAJTQAFPHVELQ-KRWDZBQOSA-N 0 3 486.581 -0.343 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2ccnn2)CC1 ZINC001547476173 1069037604 /nfs/dbraw/zinc/03/76/04/1069037604.db2.gz GBRAIJJMQXAPJZ-KRWDZBQOSA-N 0 3 458.571 -0.099 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2ccnn2)CC1 ZINC001547476174 1069037615 /nfs/dbraw/zinc/03/76/15/1069037615.db2.gz GBRAIJJMQXAPJZ-QGZVFWFLSA-N 0 3 458.571 -0.099 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccn(C)n2)CC1 ZINC001547476753 1069037638 /nfs/dbraw/zinc/03/76/38/1069037638.db2.gz WVHGHBALUREPBK-KRWDZBQOSA-N 0 3 478.623 -0.048 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccn(C)n2)CC1 ZINC001547476754 1069037571 /nfs/dbraw/zinc/03/75/71/1069037571.db2.gz WVHGHBALUREPBK-QGZVFWFLSA-N 0 3 478.623 -0.048 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)CC)CC1 ZINC001547477826 1069037559 /nfs/dbraw/zinc/03/75/59/1069037559.db2.gz UCUUKWQPNZMYHX-UHFFFAOYSA-N 0 3 462.599 -0.131 20 0 JBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC)CC1 ZINC001547477870 1069037581 /nfs/dbraw/zinc/03/75/81/1069037581.db2.gz VPIINXUJHLCFCH-MRXNPFEDSA-N 0 3 457.601 -0.331 20 0 JBADHN CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCN3CCN(C)C(C)(C)C3)CCN2C1=O ZINC001547603458 1069040548 /nfs/dbraw/zinc/04/05/48/1069040548.db2.gz OPAISVSBYKRDSW-KRWDZBQOSA-N 0 3 489.625 -0.085 20 0 JBADHN CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCN3CCN(C)C(C)(C)C3)CCN2C1=O ZINC001547603459 1069040720 /nfs/dbraw/zinc/04/07/20/1069040720.db2.gz OPAISVSBYKRDSW-QGZVFWFLSA-N 0 3 489.625 -0.085 20 0 JBADHN CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCN3CCCO)CCN2C1=O ZINC001547604134 1069041298 /nfs/dbraw/zinc/04/12/98/1069041298.db2.gz URMPSJBJODVRFY-DLBZAZTESA-N 0 3 476.582 -0.264 20 0 JBADHN CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCN3CCCO)CCN2C1=O ZINC001547604139 1069041331 /nfs/dbraw/zinc/04/13/31/1069041331.db2.gz URMPSJBJODVRFY-IAGOWNOFSA-N 0 3 476.582 -0.264 20 0 JBADHN CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCN3CCCO)CCN2C1=O ZINC001547604142 1069041415 /nfs/dbraw/zinc/04/14/15/1069041415.db2.gz URMPSJBJODVRFY-IRXDYDNUSA-N 0 3 476.582 -0.264 20 0 JBADHN CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCN3CCCO)CCN2C1=O ZINC001547604144 1069041351 /nfs/dbraw/zinc/04/13/51/1069041351.db2.gz URMPSJBJODVRFY-SJORKVTESA-N 0 3 476.582 -0.264 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001547634098 1069047002 /nfs/dbraw/zinc/04/70/02/1069047002.db2.gz APQVUFBDEWTOCL-HZSPNIEDSA-N 0 3 451.619 -0.644 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001547634099 1069047162 /nfs/dbraw/zinc/04/71/62/1069047162.db2.gz APQVUFBDEWTOCL-IHRRRGAJSA-N 0 3 451.619 -0.644 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001547634100 1069047246 /nfs/dbraw/zinc/04/72/46/1069047246.db2.gz APQVUFBDEWTOCL-MELADBBJSA-N 0 3 451.619 -0.644 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001547634101 1069046861 /nfs/dbraw/zinc/04/68/61/1069046861.db2.gz APQVUFBDEWTOCL-RDBSUJKOSA-N 0 3 451.619 -0.644 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001547645270 1069047102 /nfs/dbraw/zinc/04/71/02/1069047102.db2.gz HDGYPSPJOKXMQH-HRCADAONSA-N 0 3 457.601 -0.382 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001547645271 1069046735 /nfs/dbraw/zinc/04/67/35/1069046735.db2.gz HDGYPSPJOKXMQH-JYJNAYRXSA-N 0 3 457.601 -0.382 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1C ZINC001547645272 1069046952 /nfs/dbraw/zinc/04/69/52/1069046952.db2.gz HDGYPSPJOKXMQH-OWCLPIDISA-N 0 3 457.601 -0.382 20 0 JBADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1C ZINC001547645273 1069047199 /nfs/dbraw/zinc/04/71/99/1069047199.db2.gz HDGYPSPJOKXMQH-PMPSAXMXSA-N 0 3 457.601 -0.382 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699026 1069051121 /nfs/dbraw/zinc/05/11/21/1069051121.db2.gz BOABECVHCALFRB-CVEARBPZSA-N 0 3 456.617 -0.807 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699027 1069050924 /nfs/dbraw/zinc/05/09/24/1069050924.db2.gz BOABECVHCALFRB-HOTGVXAUSA-N 0 3 456.617 -0.807 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699028 1069051184 /nfs/dbraw/zinc/05/11/84/1069051184.db2.gz BOABECVHCALFRB-HZPDHXFCSA-N 0 3 456.617 -0.807 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699029 1069051012 /nfs/dbraw/zinc/05/10/12/1069051012.db2.gz BOABECVHCALFRB-JKSUJKDBSA-N 0 3 456.617 -0.807 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547699196 1069051061 /nfs/dbraw/zinc/05/10/61/1069051061.db2.gz FINLVTMQGWHNLR-FQEVSTJZSA-N 0 3 489.669 -0.250 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547699197 1069051164 /nfs/dbraw/zinc/05/11/64/1069051164.db2.gz FINLVTMQGWHNLR-HXUWFJFHSA-N 0 3 489.669 -0.250 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001547700100 1069050973 /nfs/dbraw/zinc/05/09/73/1069050973.db2.gz LKFOPQTZPYMRCO-FGTMMUONSA-N 0 3 497.670 -0.530 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001547700108 1069051195 /nfs/dbraw/zinc/05/11/95/1069051195.db2.gz LKFOPQTZPYMRCO-KURKYZTESA-N 0 3 497.670 -0.530 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001547700110 1069051041 /nfs/dbraw/zinc/05/10/41/1069051041.db2.gz LKFOPQTZPYMRCO-KZNAEPCWSA-N 0 3 497.670 -0.530 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001547700111 1069051158 /nfs/dbraw/zinc/05/11/58/1069051158.db2.gz LKFOPQTZPYMRCO-SQNIBIBYSA-N 0 3 497.670 -0.530 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001547700940 1069051099 /nfs/dbraw/zinc/05/10/99/1069051099.db2.gz QJDAPIDBEHCOAN-DBXWQHBBSA-N 0 3 485.655 -0.090 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001547700944 1069051219 /nfs/dbraw/zinc/05/12/19/1069051219.db2.gz QJDAPIDBEHCOAN-LQWHRVPQSA-N 0 3 485.655 -0.090 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001547700947 1069051144 /nfs/dbraw/zinc/05/11/44/1069051144.db2.gz QJDAPIDBEHCOAN-LVCYWYKZSA-N 0 3 485.655 -0.090 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001547700950 1069051174 /nfs/dbraw/zinc/05/11/74/1069051174.db2.gz QJDAPIDBEHCOAN-OPYAIIAOSA-N 0 3 485.655 -0.090 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547701053 1069051204 /nfs/dbraw/zinc/05/12/04/1069051204.db2.gz RKTUUMHIPIMSJZ-BZUAXINKSA-N 0 3 456.617 -0.774 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547701056 1069051887 /nfs/dbraw/zinc/05/18/87/1069051887.db2.gz RKTUUMHIPIMSJZ-OAGGEKHMSA-N 0 3 456.617 -0.774 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547701057 1069052006 /nfs/dbraw/zinc/05/20/06/1069052006.db2.gz RKTUUMHIPIMSJZ-OWCLPIDISA-N 0 3 456.617 -0.774 20 0 JBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547701059 1069051941 /nfs/dbraw/zinc/05/19/41/1069051941.db2.gz RKTUUMHIPIMSJZ-PMPSAXMXSA-N 0 3 456.617 -0.774 20 0 JBADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001547701746 1069051984 /nfs/dbraw/zinc/05/19/84/1069051984.db2.gz VYFOVXJWPJHXIH-GOSISDBHSA-N 0 3 462.599 -0.880 20 0 JBADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001547701747 1069051774 /nfs/dbraw/zinc/05/17/74/1069051774.db2.gz VYFOVXJWPJHXIH-SFHVURJKSA-N 0 3 462.599 -0.880 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724753 1069052765 /nfs/dbraw/zinc/05/27/65/1069052765.db2.gz DRLGGBDPOGIKIU-TVFCKZIOSA-N 0 3 471.628 -0.277 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724782 1069052746 /nfs/dbraw/zinc/05/27/46/1069052746.db2.gz DRLGGBDPOGIKIU-XDNAFOTISA-N 0 3 471.628 -0.277 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724784 1069052864 /nfs/dbraw/zinc/05/28/64/1069052864.db2.gz DRLGGBDPOGIKIU-XLAORIBOSA-N 0 3 471.628 -0.277 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724787 1069052901 /nfs/dbraw/zinc/05/29/01/1069052901.db2.gz DRLGGBDPOGIKIU-XWTMOSNGSA-N 0 3 471.628 -0.277 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725877 1069053756 /nfs/dbraw/zinc/05/37/56/1069053756.db2.gz IQGRZZJJQHTDLU-MSOLQXFVSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725878 1069053854 /nfs/dbraw/zinc/05/38/54/1069053854.db2.gz IQGRZZJJQHTDLU-QZTJIDSGSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725879 1069053645 /nfs/dbraw/zinc/05/36/45/1069053645.db2.gz IQGRZZJJQHTDLU-ROUUACIJSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725880 1069053784 /nfs/dbraw/zinc/05/37/84/1069053784.db2.gz IQGRZZJJQHTDLU-ZWKOTPCHSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547726300 1069054726 /nfs/dbraw/zinc/05/47/26/1069054726.db2.gz MRQDHTXKOHFKNS-BBWFWOEESA-N 0 3 470.644 -0.527 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547726301 1069054586 /nfs/dbraw/zinc/05/45/86/1069054586.db2.gz MRQDHTXKOHFKNS-GVDBMIGSSA-N 0 3 470.644 -0.527 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547726302 1069054519 /nfs/dbraw/zinc/05/45/19/1069054519.db2.gz MRQDHTXKOHFKNS-ULQDDVLXSA-N 0 3 470.644 -0.527 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547726303 1069054683 /nfs/dbraw/zinc/05/46/83/1069054683.db2.gz MRQDHTXKOHFKNS-YESZJQIVSA-N 0 3 470.644 -0.527 20 0 JBADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547730372 1069054535 /nfs/dbraw/zinc/05/45/35/1069054535.db2.gz FOUNLUCWDVKGPH-MOPGFXCFSA-N 0 3 497.666 -0.451 20 0 JBADHN CCN1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547730374 1069054650 /nfs/dbraw/zinc/05/46/50/1069054650.db2.gz FOUNLUCWDVKGPH-OALUTQOASA-N 0 3 497.666 -0.451 20 0 JBADHN CCN1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547730375 1069054527 /nfs/dbraw/zinc/05/45/27/1069054527.db2.gz FOUNLUCWDVKGPH-RBUKOAKNSA-N 0 3 497.666 -0.451 20 0 JBADHN CCN1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547730376 1069054600 /nfs/dbraw/zinc/05/46/00/1069054600.db2.gz FOUNLUCWDVKGPH-RTBURBONSA-N 0 3 497.666 -0.451 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730796 1069055668 /nfs/dbraw/zinc/05/56/68/1069055668.db2.gz OFDXETZKIBPLTA-PMACEKPBSA-N 0 3 489.669 -0.287 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730801 1069055564 /nfs/dbraw/zinc/05/55/64/1069055564.db2.gz OFDXETZKIBPLTA-UXHICEINSA-N 0 3 489.669 -0.287 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730804 1069055701 /nfs/dbraw/zinc/05/57/01/1069055701.db2.gz OFDXETZKIBPLTA-VQTJNVASSA-N 0 3 489.669 -0.287 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730807 1069055640 /nfs/dbraw/zinc/05/56/40/1069055640.db2.gz OFDXETZKIBPLTA-WOJBJXKFSA-N 0 3 489.669 -0.287 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731808 1069055614 /nfs/dbraw/zinc/05/56/14/1069055614.db2.gz SZESOIWEQGFGJO-CEXWTWQISA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731810 1069055713 /nfs/dbraw/zinc/05/57/13/1069055713.db2.gz SZESOIWEQGFGJO-FHWLQOOXSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731812 1069055545 /nfs/dbraw/zinc/05/55/45/1069055545.db2.gz SZESOIWEQGFGJO-GBESFXJTSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731814 1069055651 /nfs/dbraw/zinc/05/56/51/1069055651.db2.gz SZESOIWEQGFGJO-QYZOEREBSA-N 0 3 496.682 -0.027 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001547735484 1069055587 /nfs/dbraw/zinc/05/55/87/1069055587.db2.gz RQAKLQGVWTVSSU-GOSISDBHSA-N 0 3 462.599 -0.448 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547735489 1069055569 /nfs/dbraw/zinc/05/55/69/1069055569.db2.gz FEIHJEJFBFQZQA-IBGZPJMESA-N 0 3 497.666 -0.497 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001547735490 1069055554 /nfs/dbraw/zinc/05/55/54/1069055554.db2.gz RQAKLQGVWTVSSU-SFHVURJKSA-N 0 3 462.599 -0.448 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001547735492 1069055705 /nfs/dbraw/zinc/05/57/05/1069055705.db2.gz FEIHJEJFBFQZQA-LJQANCHMSA-N 0 3 497.666 -0.497 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547735551 1069055621 /nfs/dbraw/zinc/05/56/21/1069055621.db2.gz GPYLFVKHLWXHBB-DLBZAZTESA-N 0 3 455.629 -0.092 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547735552 1069055577 /nfs/dbraw/zinc/05/55/77/1069055577.db2.gz GPYLFVKHLWXHBB-IAGOWNOFSA-N 0 3 455.629 -0.092 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001547735553 1069055687 /nfs/dbraw/zinc/05/56/87/1069055687.db2.gz GPYLFVKHLWXHBB-IRXDYDNUSA-N 0 3 455.629 -0.092 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001547735554 1069055657 /nfs/dbraw/zinc/05/56/57/1069055657.db2.gz GPYLFVKHLWXHBB-SJORKVTESA-N 0 3 455.629 -0.092 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001547736129 1069055600 /nfs/dbraw/zinc/05/56/00/1069055600.db2.gz MRGXZKXNRJUCRX-FQEVSTJZSA-N 0 3 499.682 -0.153 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CC1 ZINC001547736132 1069055678 /nfs/dbraw/zinc/05/56/78/1069055678.db2.gz MRGXZKXNRJUCRX-HXUWFJFHSA-N 0 3 499.682 -0.153 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736468 1069056752 /nfs/dbraw/zinc/05/67/52/1069056752.db2.gz QTAYSOLHZAHDTQ-DLBZAZTESA-N 0 3 453.613 -0.481 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736469 1069056578 /nfs/dbraw/zinc/05/65/78/1069056578.db2.gz QTAYSOLHZAHDTQ-IAGOWNOFSA-N 0 3 453.613 -0.481 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547736470 1069056483 /nfs/dbraw/zinc/05/64/83/1069056483.db2.gz QTAYSOLHZAHDTQ-IRXDYDNUSA-N 0 3 453.613 -0.481 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547736487 1069056552 /nfs/dbraw/zinc/05/65/52/1069056552.db2.gz QTAYSOLHZAHDTQ-SJORKVTESA-N 0 3 453.613 -0.481 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001547736725 1069056534 /nfs/dbraw/zinc/05/65/34/1069056534.db2.gz VFRHKPDZXCUKFQ-MOPGFXCFSA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001547736731 1069056463 /nfs/dbraw/zinc/05/64/63/1069056463.db2.gz VFRHKPDZXCUKFQ-OALUTQOASA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001547736733 1069056841 /nfs/dbraw/zinc/05/68/41/1069056841.db2.gz VFRHKPDZXCUKFQ-RBUKOAKNSA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001547736735 1069056651 /nfs/dbraw/zinc/05/66/51/1069056651.db2.gz VFRHKPDZXCUKFQ-RTBURBONSA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)CC1 ZINC001547736952 1069056806 /nfs/dbraw/zinc/05/68/06/1069056806.db2.gz YMFKFAFUUMBSMU-MOPGFXCFSA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001547736953 1069056711 /nfs/dbraw/zinc/05/67/11/1069056711.db2.gz YMFKFAFUUMBSMU-OALUTQOASA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001547736954 1069056618 /nfs/dbraw/zinc/05/66/18/1069056618.db2.gz YMFKFAFUUMBSMU-RBUKOAKNSA-N 0 3 485.655 -0.136 20 0 JBADHN CCN1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)CC1 ZINC001547736955 1069056824 /nfs/dbraw/zinc/05/68/24/1069056824.db2.gz YMFKFAFUUMBSMU-RTBURBONSA-N 0 3 485.655 -0.136 20 0 JBADHN CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCN(CC)CC2)CC1 ZINC001547763784 1069059164 /nfs/dbraw/zinc/05/91/64/1069059164.db2.gz TVUQOIPQQGDLBR-UHFFFAOYSA-N 0 3 489.669 -0.200 20 0 JBADHN CCO[C@]1(c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001547918123 1069080875 /nfs/dbraw/zinc/08/08/75/1069080875.db2.gz SQYFMFJQYCRSGX-FXAWDEMLSA-N 0 3 472.612 -0.362 20 0 JBADHN CCO[C@@]1(c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001547918124 1069080895 /nfs/dbraw/zinc/08/08/95/1069080895.db2.gz SQYFMFJQYCRSGX-PXNSSMCTSA-N 0 3 472.612 -0.362 20 0 JBADHN CCO[C@@]1(c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001547918125 1069080926 /nfs/dbraw/zinc/08/09/26/1069080926.db2.gz SQYFMFJQYCRSGX-XLIONFOSSA-N 0 3 472.612 -0.362 20 0 JBADHN 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CC(C)N1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001608159865 1069373621 /nfs/dbraw/zinc/37/36/21/1069373621.db2.gz VSKNKYRTDCGEGW-ZWKOTPCHSA-N 0 3 482.655 -0.227 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1CCCO ZINC001608523682 1069378892 /nfs/dbraw/zinc/37/88/92/1069378892.db2.gz ROKUHMVMIVMVFN-KRWDZBQOSA-N 0 3 471.628 -0.265 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1CCCO ZINC001608523683 1069379571 /nfs/dbraw/zinc/37/95/71/1069379571.db2.gz ROKUHMVMIVMVFN-QGZVFWFLSA-N 0 3 471.628 -0.265 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCN1CCC[C@@H]1C ZINC001608530657 1069379352 /nfs/dbraw/zinc/37/93/52/1069379352.db2.gz YTMURZHJIDEANJ-INIZCTEOSA-N 0 3 460.583 -0.172 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCN1CCC[C@H]1C ZINC001608530658 1069379435 /nfs/dbraw/zinc/37/94/35/1069379435.db2.gz YTMURZHJIDEANJ-MRXNPFEDSA-N 0 3 460.583 -0.172 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001608538057 1069379283 /nfs/dbraw/zinc/37/92/83/1069379283.db2.gz IJIMRNDSAYKPOI-GOSISDBHSA-N 0 3 495.650 -0.015 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001608538064 1069379491 /nfs/dbraw/zinc/37/94/91/1069379491.db2.gz IJIMRNDSAYKPOI-SFHVURJKSA-N 0 3 495.650 -0.015 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN1CCOC[C@@H]1C ZINC001608538077 1069379956 /nfs/dbraw/zinc/37/99/56/1069379956.db2.gz ILGKJMAHCBVFCM-IBGZPJMESA-N 0 3 476.626 -0.119 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN1CCOC[C@H]1C ZINC001608538165 1069380077 /nfs/dbraw/zinc/38/00/77/1069380077.db2.gz ILGKJMAHCBVFCM-LJQANCHMSA-N 0 3 476.626 -0.119 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@@H]1COCCO1 ZINC001608539011 1069380206 /nfs/dbraw/zinc/38/02/06/1069380206.db2.gz YRYKKDFYGNCKRU-GOSISDBHSA-N 0 3 463.583 -0.034 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@H]1COCCO1 ZINC001608539012 1069380156 /nfs/dbraw/zinc/38/01/56/1069380156.db2.gz YRYKKDFYGNCKRU-SFHVURJKSA-N 0 3 463.583 -0.034 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001608579160 1069380740 /nfs/dbraw/zinc/38/07/40/1069380740.db2.gz LOOOWAHNIIKOJZ-UHFFFAOYSA-N 0 3 463.583 -0.034 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCNS(C)(=O)=O ZINC001608579730 1069380700 /nfs/dbraw/zinc/38/07/00/1069380700.db2.gz PJHSLMDNKUHKBV-UHFFFAOYSA-N 0 3 457.601 -0.343 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(=O)N1CCOCC1 ZINC001608579815 1069381086 /nfs/dbraw/zinc/38/10/86/1069381086.db2.gz QZSDIUSWNWDDHV-KRWDZBQOSA-N 0 3 463.583 -0.035 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001608592387 1069381387 /nfs/dbraw/zinc/38/13/87/1069381387.db2.gz HMPBXVGOOMPJPK-QZTJIDSGSA-N 0 3 483.639 -0.001 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001608592475 1069381536 /nfs/dbraw/zinc/38/15/36/1069381536.db2.gz HMPBXVGOOMPJPK-ZWKOTPCHSA-N 0 3 483.639 -0.001 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001608592964 1069381434 /nfs/dbraw/zinc/38/14/34/1069381434.db2.gz QCRJMELFUXVVTI-GOSISDBHSA-N 0 3 463.583 -0.176 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001608592965 1069381601 /nfs/dbraw/zinc/38/16/01/1069381601.db2.gz QCRJMELFUXVVTI-SFHVURJKSA-N 0 3 463.583 -0.176 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001608593388 1069381677 /nfs/dbraw/zinc/38/16/77/1069381677.db2.gz YCMLJMAFNDKTLQ-KRWDZBQOSA-N 0 3 476.582 -0.047 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001608593405 1069382351 /nfs/dbraw/zinc/38/23/51/1069382351.db2.gz YJDUAGQWRYDHFB-KRWDZBQOSA-N 0 3 463.583 -0.143 20 0 JBADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001608593406 1069382248 /nfs/dbraw/zinc/38/22/48/1069382248.db2.gz YJDUAGQWRYDHFB-QGZVFWFLSA-N 0 3 463.583 -0.143 20 0 JBADHN CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001609522507 1069383630 /nfs/dbraw/zinc/38/36/30/1069383630.db2.gz IRJICNKHDYBQCD-DLBZAZTESA-N 0 3 498.654 -0.454 20 0 JBADHN CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001609522508 1069383445 /nfs/dbraw/zinc/38/34/45/1069383445.db2.gz IRJICNKHDYBQCD-IAGOWNOFSA-N 0 3 498.654 -0.454 20 0 JBADHN CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001609522509 1069383770 /nfs/dbraw/zinc/38/37/70/1069383770.db2.gz IRJICNKHDYBQCD-IRXDYDNUSA-N 0 3 498.654 -0.454 20 0 JBADHN CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001609522510 1069383737 /nfs/dbraw/zinc/38/37/37/1069383737.db2.gz IRJICNKHDYBQCD-SJORKVTESA-N 0 3 498.654 -0.454 20 0 JBADHN CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001609522659 1069383304 /nfs/dbraw/zinc/38/33/04/1069383304.db2.gz NAOYOWOBYKPQQR-DLBZAZTESA-N 0 3 471.628 -0.039 20 0 JBADHN CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001609522660 1069383655 /nfs/dbraw/zinc/38/36/55/1069383655.db2.gz NAOYOWOBYKPQQR-IAGOWNOFSA-N 0 3 471.628 -0.039 20 0 JBADHN CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001609522661 1069383326 /nfs/dbraw/zinc/38/33/26/1069383326.db2.gz NAOYOWOBYKPQQR-IRXDYDNUSA-N 0 3 471.628 -0.039 20 0 JBADHN CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001609522662 1069383507 /nfs/dbraw/zinc/38/35/07/1069383507.db2.gz NAOYOWOBYKPQQR-SJORKVTESA-N 0 3 471.628 -0.039 20 0 JBADHN CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001610016555 1069384770 /nfs/dbraw/zinc/38/47/70/1069384770.db2.gz DXRDTFVGPJKVBG-INIZCTEOSA-N 0 3 484.627 -0.843 20 0 JBADHN CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001610016558 1069385447 /nfs/dbraw/zinc/38/54/47/1069385447.db2.gz DXRDTFVGPJKVBG-MRXNPFEDSA-N 0 3 484.627 -0.843 20 0 JBADHN NC(=O)CC[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1C(=O)c2ccccc2C1=O ZINC001611513422 1069394234 /nfs/dbraw/zinc/39/42/34/1069394234.db2.gz ADKMXBKYJOHUQU-GOSISDBHSA-N 0 3 455.515 -0.317 20 0 JBADHN NC(=O)CC[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1C(=O)c2ccccc2C1=O ZINC001611513423 1069394351 /nfs/dbraw/zinc/39/43/51/1069394351.db2.gz ADKMXBKYJOHUQU-SFHVURJKSA-N 0 3 455.515 -0.317 20 0 JBADHN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)N(C)C ZINC001611582837 1069394563 /nfs/dbraw/zinc/39/45/63/1069394563.db2.gz CVPYCRIKTLBDOL-MSOLQXFVSA-N 0 3 467.640 -0.125 20 0 JBADHN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)N(C)C ZINC001611582841 1069394741 /nfs/dbraw/zinc/39/47/41/1069394741.db2.gz CVPYCRIKTLBDOL-QZTJIDSGSA-N 0 3 467.640 -0.125 20 0 JBADHN C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)N(C)C ZINC001611582843 1069394657 /nfs/dbraw/zinc/39/46/57/1069394657.db2.gz CVPYCRIKTLBDOL-ROUUACIJSA-N 0 3 467.640 -0.125 20 0 JBADHN C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)N(C)C ZINC001611582845 1069394847 /nfs/dbraw/zinc/39/48/47/1069394847.db2.gz CVPYCRIKTLBDOL-ZWKOTPCHSA-N 0 3 467.640 -0.125 20 0 JBADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001611661967 1069398849 /nfs/dbraw/zinc/39/88/49/1069398849.db2.gz VJBDDWGDJQCGNS-CVEARBPZSA-N 0 3 493.700 -0.216 20 0 JBADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001611661968 1069398526 /nfs/dbraw/zinc/39/85/26/1069398526.db2.gz VJBDDWGDJQCGNS-HOTGVXAUSA-N 0 3 493.700 -0.216 20 0 JBADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001611661969 1069398641 /nfs/dbraw/zinc/39/86/41/1069398641.db2.gz VJBDDWGDJQCGNS-HZPDHXFCSA-N 0 3 493.700 -0.216 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001611661970 1069398694 /nfs/dbraw/zinc/39/86/94/1069398694.db2.gz VJBDDWGDJQCGNS-JKSUJKDBSA-N 0 3 493.700 -0.216 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001611673986 1069401042 /nfs/dbraw/zinc/40/10/42/1069401042.db2.gz UMHTYCZFFHENTA-IKGGRYGDSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001611673987 1069400950 /nfs/dbraw/zinc/40/09/50/1069400950.db2.gz UMHTYCZFFHENTA-IXDOHACOSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001611673988 1069401091 /nfs/dbraw/zinc/40/10/91/1069401091.db2.gz UMHTYCZFFHENTA-ULQDDVLXSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001611673989 1069400981 /nfs/dbraw/zinc/40/09/81/1069400981.db2.gz UMHTYCZFFHENTA-YESZJQIVSA-N 0 3 498.654 -0.502 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001611686258 1069404313 /nfs/dbraw/zinc/40/43/13/1069404313.db2.gz CYDHIGGVJBJUHU-INIZCTEOSA-N 0 3 483.639 -0.037 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001611686259 1069404963 /nfs/dbraw/zinc/40/49/63/1069404963.db2.gz CYDHIGGVJBJUHU-MRXNPFEDSA-N 0 3 483.639 -0.037 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611689966 1069405697 /nfs/dbraw/zinc/40/56/97/1069405697.db2.gz ABDIGZQQBQBEQL-CVEARBPZSA-N 0 3 491.684 -0.462 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611689967 1069405559 /nfs/dbraw/zinc/40/55/59/1069405559.db2.gz ABDIGZQQBQBEQL-HOTGVXAUSA-N 0 3 491.684 -0.462 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611689968 1069405739 /nfs/dbraw/zinc/40/57/39/1069405739.db2.gz ABDIGZQQBQBEQL-HZPDHXFCSA-N 0 3 491.684 -0.462 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611689969 1069405643 /nfs/dbraw/zinc/40/56/43/1069405643.db2.gz ABDIGZQQBQBEQL-JKSUJKDBSA-N 0 3 491.684 -0.462 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611693824 1069408141 /nfs/dbraw/zinc/40/81/41/1069408141.db2.gz FJQWFWKQRHFSQH-CVEARBPZSA-N 0 3 470.644 -0.384 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611693825 1069408049 /nfs/dbraw/zinc/40/80/49/1069408049.db2.gz FJQWFWKQRHFSQH-HOTGVXAUSA-N 0 3 470.644 -0.384 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611693826 1069407996 /nfs/dbraw/zinc/40/79/96/1069407996.db2.gz FJQWFWKQRHFSQH-HZPDHXFCSA-N 0 3 470.644 -0.384 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001611693827 1069408096 /nfs/dbraw/zinc/40/80/96/1069408096.db2.gz FJQWFWKQRHFSQH-JKSUJKDBSA-N 0 3 470.644 -0.384 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)O ZINC001611702467 1069410488 /nfs/dbraw/zinc/41/04/88/1069410488.db2.gz BHUPDDMZKAERRR-CABCVRRESA-N 0 3 457.601 -0.598 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)O ZINC001611702468 1069410580 /nfs/dbraw/zinc/41/05/80/1069410580.db2.gz BHUPDDMZKAERRR-GJZGRUSLSA-N 0 3 457.601 -0.598 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)O ZINC001611702469 1069410454 /nfs/dbraw/zinc/41/04/54/1069410454.db2.gz BHUPDDMZKAERRR-HUUCEWRRSA-N 0 3 457.601 -0.598 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)O ZINC001611702470 1069410315 /nfs/dbraw/zinc/41/03/15/1069410315.db2.gz BHUPDDMZKAERRR-LSDHHAIUSA-N 0 3 457.601 -0.598 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCn1cccn1 ZINC001611703329 1069412617 /nfs/dbraw/zinc/41/26/17/1069412617.db2.gz SWIVIXWTFIZHJZ-MSOLQXFVSA-N 0 3 493.638 -0.082 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCn1cccn1 ZINC001611703330 1069412640 /nfs/dbraw/zinc/41/26/40/1069412640.db2.gz SWIVIXWTFIZHJZ-QZTJIDSGSA-N 0 3 493.638 -0.082 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCn1cccn1 ZINC001611703331 1069412424 /nfs/dbraw/zinc/41/24/24/1069412424.db2.gz SWIVIXWTFIZHJZ-ROUUACIJSA-N 0 3 493.638 -0.082 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCn1cccn1 ZINC001611703332 1069412347 /nfs/dbraw/zinc/41/23/47/1069412347.db2.gz SWIVIXWTFIZHJZ-ZWKOTPCHSA-N 0 3 493.638 -0.082 20 0 JBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1ccn(C)n1 ZINC001611703582 1069413372 /nfs/dbraw/zinc/41/33/72/1069413372.db2.gz YDDVCWLNKLTMFX-AEFFLSMTSA-N 0 3 493.638 -0.393 20 0 JBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccn(C)n1 ZINC001611703583 1069413205 /nfs/dbraw/zinc/41/32/05/1069413205.db2.gz YDDVCWLNKLTMFX-FUHWJXTLSA-N 0 3 493.638 -0.393 20 0 JBADHN 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