smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000054943248 1078022247 /nfs/dbraw/zinc/02/22/47/1078022247.db2.gz GOKXBERYXQLAJB-UHFFFAOYSA-N 2 1 415.538 0.877 20 0 HCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021266 /nfs/dbraw/zinc/02/12/66/1078021266.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 2 1 410.559 0.030 20 0 HCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021259 /nfs/dbraw/zinc/02/12/59/1078021259.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 2 1 410.559 0.030 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021251 /nfs/dbraw/zinc/02/12/51/1078021251.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 2 1 410.559 0.030 20 0 HCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021585 /nfs/dbraw/zinc/02/15/85/1078021585.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 2 1 410.559 0.030 20 0 HCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021577 /nfs/dbraw/zinc/02/15/77/1078021577.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 2 1 410.559 0.030 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021572 /nfs/dbraw/zinc/02/15/72/1078021572.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 2 1 410.559 0.030 20 0 HCADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000056184903 1079848616 /nfs/dbraw/zinc/84/86/16/1079848616.db2.gz JFULZFNDUILLSD-AWEZNQCLSA-N 2 1 401.511 0.869 20 0 HCADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000056184904 1079849234 /nfs/dbraw/zinc/84/92/34/1079849234.db2.gz JFULZFNDUILLSD-CQSZACIVSA-N 2 1 401.511 0.869 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000060348584 1079897785 /nfs/dbraw/zinc/89/77/85/1079897785.db2.gz ZNLGWWDCBIGDAG-OAHLLOKOSA-N 2 1 418.585 0.371 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000060348585 1079897930 /nfs/dbraw/zinc/89/79/30/1079897930.db2.gz ZNLGWWDCBIGDAG-HNNXBMFYSA-N 2 1 418.585 0.371 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060348594 1079897873 /nfs/dbraw/zinc/89/78/73/1079897873.db2.gz WFCRPAZFFUOWKD-CQSZACIVSA-N 2 1 423.539 0.253 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060348595 1079897982 /nfs/dbraw/zinc/89/79/82/1079897982.db2.gz WFCRPAZFFUOWKD-AWEZNQCLSA-N 2 1 423.539 0.253 20 0 HCADMP CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000060348596 1079897943 /nfs/dbraw/zinc/89/79/43/1079897943.db2.gz FEAFNVJSMAXWHS-CQSZACIVSA-N 2 1 401.533 0.623 20 0 HCADMP CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000060348597 1079897757 /nfs/dbraw/zinc/89/77/57/1079897757.db2.gz FEAFNVJSMAXWHS-AWEZNQCLSA-N 2 1 401.533 0.623 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000060348600 1079897846 /nfs/dbraw/zinc/89/78/46/1079897846.db2.gz DFOIFUWBYGHQFV-CQSZACIVSA-N 2 1 423.539 0.253 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000060348601 1079897908 /nfs/dbraw/zinc/89/79/08/1079897908.db2.gz DFOIFUWBYGHQFV-AWEZNQCLSA-N 2 1 423.539 0.253 20 0 HCADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000060608110 1079901137 /nfs/dbraw/zinc/90/11/37/1079901137.db2.gz FFYYNADZZCKLEL-UHFFFAOYSA-N 2 1 405.499 0.941 20 0 HCADMP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000060646347 1079902693 /nfs/dbraw/zinc/90/26/93/1079902693.db2.gz APVACTUPTKGGMV-UHFFFAOYSA-N 2 1 403.483 0.649 20 0 HCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000060650704 1079903019 /nfs/dbraw/zinc/90/30/19/1079903019.db2.gz YQBFXAYZCHPKHH-HNNXBMFYSA-N 2 1 417.510 0.941 20 0 HCADMP COCC[N@@H+](C)CCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000061878571 1079916964 /nfs/dbraw/zinc/91/69/64/1079916964.db2.gz AEWPDNASTBVWLZ-UHFFFAOYSA-N 2 1 405.543 0.842 20 0 HCADMP COCC[N@H+](C)CCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000061878571 1079916953 /nfs/dbraw/zinc/91/69/53/1079916953.db2.gz AEWPDNASTBVWLZ-UHFFFAOYSA-N 2 1 405.543 0.842 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)NC3CC[NH+](CC(=O)NC)CC3)cn2)CC1 ZINC000061927432 1079917787 /nfs/dbraw/zinc/91/77/87/1079917787.db2.gz FKPOOGIGTRDMOA-UHFFFAOYSA-N 2 1 417.558 0.233 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000061968452 1079918379 /nfs/dbraw/zinc/91/83/79/1079918379.db2.gz UHWMXINJDJEHSY-UHFFFAOYSA-N 2 1 416.570 0.708 20 0 HCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000062586531 1079923063 /nfs/dbraw/zinc/92/30/63/1079923063.db2.gz BKGYOJHGDFNEOK-MRXNPFEDSA-N 2 1 403.527 0.398 20 0 HCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000062586565 1079922837 /nfs/dbraw/zinc/92/28/37/1079922837.db2.gz MLENRHZADXTLRO-HNNXBMFYSA-N 2 1 419.526 0.478 20 0 HCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000065524548 1079987738 /nfs/dbraw/zinc/98/77/38/1079987738.db2.gz CDOMKUJGLMWUGK-UHFFFAOYSA-N 2 1 405.499 0.089 20 0 HCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000065638363 1079993089 /nfs/dbraw/zinc/99/30/89/1079993089.db2.gz BCXWZFGJAJCPBW-KRWDZBQOSA-N 2 1 415.538 0.859 20 0 HCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000065638363 1079993078 /nfs/dbraw/zinc/99/30/78/1079993078.db2.gz BCXWZFGJAJCPBW-KRWDZBQOSA-N 2 1 415.538 0.859 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000078871688 1078526341 /nfs/dbraw/zinc/52/63/41/1078526341.db2.gz CNLVUEPJGRPMOR-UHFFFAOYSA-N 2 1 401.555 0.915 20 0 HCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)C[C@H](C)O1 ZINC000110427288 1080416851 /nfs/dbraw/zinc/41/68/51/1080416851.db2.gz KNLCEEGMGTYTMF-HDICACEKSA-N 2 1 406.571 0.888 20 0 HCADMP Cn1cc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(=O)n(C)c1=O ZINC000237203829 1079239953 /nfs/dbraw/zinc/23/99/53/1079239953.db2.gz XPEKMQRHTNJWIU-UHFFFAOYSA-N 2 1 416.522 0.863 20 0 HCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000303579485 1077252070 /nfs/dbraw/zinc/25/20/70/1077252070.db2.gz QQCKVUMDONELAC-NRFANRHFSA-N 2 1 415.582 0.850 20 0 HCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000303579487 1077252282 /nfs/dbraw/zinc/25/22/82/1077252282.db2.gz QQCKVUMDONELAC-OAQYLSRUSA-N 2 1 415.582 0.850 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800976 1075545561 /nfs/dbraw/zinc/54/55/61/1075545561.db2.gz DXQZVANTXUMLFK-PMACEKPBSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800976 1075545555 /nfs/dbraw/zinc/54/55/55/1075545555.db2.gz DXQZVANTXUMLFK-PMACEKPBSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800976 1075545549 /nfs/dbraw/zinc/54/55/49/1075545549.db2.gz DXQZVANTXUMLFK-PMACEKPBSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800978 1075545385 /nfs/dbraw/zinc/54/53/85/1075545385.db2.gz DXQZVANTXUMLFK-UXHICEINSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800978 1075545378 /nfs/dbraw/zinc/54/53/78/1075545378.db2.gz DXQZVANTXUMLFK-UXHICEINSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800978 1075545368 /nfs/dbraw/zinc/54/53/68/1075545368.db2.gz DXQZVANTXUMLFK-UXHICEINSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800980 1075545633 /nfs/dbraw/zinc/54/56/33/1075545633.db2.gz DXQZVANTXUMLFK-VQTJNVASSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800980 1075545629 /nfs/dbraw/zinc/54/56/29/1075545629.db2.gz DXQZVANTXUMLFK-VQTJNVASSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800980 1075545622 /nfs/dbraw/zinc/54/56/22/1075545622.db2.gz DXQZVANTXUMLFK-VQTJNVASSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800982 1075545476 /nfs/dbraw/zinc/54/54/76/1075545476.db2.gz DXQZVANTXUMLFK-WOJBJXKFSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800982 1075545472 /nfs/dbraw/zinc/54/54/72/1075545472.db2.gz DXQZVANTXUMLFK-WOJBJXKFSA-N 2 1 417.554 0.917 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800982 1075545464 /nfs/dbraw/zinc/54/54/64/1075545464.db2.gz DXQZVANTXUMLFK-WOJBJXKFSA-N 2 1 417.554 0.917 20 0 HCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974915 1081357733 /nfs/dbraw/zinc/35/77/33/1081357733.db2.gz GJVMXDWHEWHTRU-DENIHFKCSA-N 2 1 402.539 0.492 20 0 HCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974916 1081357812 /nfs/dbraw/zinc/35/78/12/1081357812.db2.gz GJVMXDWHEWHTRU-KNQAVFIVSA-N 2 1 402.539 0.492 20 0 HCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974917 1081357903 /nfs/dbraw/zinc/35/79/03/1081357903.db2.gz GJVMXDWHEWHTRU-SIKLNZKXSA-N 2 1 402.539 0.492 20 0 HCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974918 1081357752 /nfs/dbraw/zinc/35/77/52/1081357752.db2.gz GJVMXDWHEWHTRU-UGKGYDQZSA-N 2 1 402.539 0.492 20 0 HCADMP CN(C)c1[nH+]cc(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1C ZINC000428981928 1081360271 /nfs/dbraw/zinc/36/02/71/1081360271.db2.gz RZPSIRDZFQCPSF-UHFFFAOYSA-N 2 1 401.515 0.777 20 0 HCADMP C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000429792517 1074681542 /nfs/dbraw/zinc/68/15/42/1074681542.db2.gz COTICFYZZSEMPD-UHFFFAOYSA-N 2 1 401.511 0.487 20 0 HCADMP COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c[nH]1 ZINC000462260727 1075317127 /nfs/dbraw/zinc/31/71/27/1075317127.db2.gz UJXUYESYBLRGOB-UHFFFAOYSA-N 2 1 407.496 0.687 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000462268731 1075317794 /nfs/dbraw/zinc/31/77/94/1075317794.db2.gz LOKHEQFZDQEQGC-HNNXBMFYSA-N 2 1 401.533 0.093 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000462268732 1075317767 /nfs/dbraw/zinc/31/77/67/1075317767.db2.gz LOKHEQFZDQEQGC-OAHLLOKOSA-N 2 1 401.533 0.093 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000462270896 1075318666 /nfs/dbraw/zinc/31/86/66/1075318666.db2.gz RRYHXJNQPPSKLR-KRWDZBQOSA-N 2 1 421.571 0.914 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000462270897 1075318750 /nfs/dbraw/zinc/31/87/50/1075318750.db2.gz RRYHXJNQPPSKLR-QGZVFWFLSA-N 2 1 421.571 0.914 20 0 HCADMP CN(C)S(=O)(=O)CCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462737543 1075505485 /nfs/dbraw/zinc/50/54/85/1075505485.db2.gz QHVZYKGICXZSFK-UHFFFAOYSA-N 2 1 417.620 0.716 20 0 HCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)Nc3cnn(C[C@@H](O)C[NH+]4CCCC4)c3)cc2C1 ZINC000462858501 1075540151 /nfs/dbraw/zinc/54/01/51/1075540151.db2.gz VZUORXJQQMMHMH-IBGZPJMESA-N 2 1 412.494 0.862 20 0 HCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)Nc3cnn(C[C@@H](O)C[NH+]4CCCC4)c3)cc2C1 ZINC000462858501 1075540147 /nfs/dbraw/zinc/54/01/47/1075540147.db2.gz VZUORXJQQMMHMH-IBGZPJMESA-N 2 1 412.494 0.862 20 0 HCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)Nc3cnn(C[C@H](O)C[NH+]4CCCC4)c3)cc2C1 ZINC000462858502 1075540091 /nfs/dbraw/zinc/54/00/91/1075540091.db2.gz VZUORXJQQMMHMH-LJQANCHMSA-N 2 1 412.494 0.862 20 0 HCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)Nc3cnn(C[C@H](O)C[NH+]4CCCC4)c3)cc2C1 ZINC000462858502 1075540087 /nfs/dbraw/zinc/54/00/87/1075540087.db2.gz VZUORXJQQMMHMH-LJQANCHMSA-N 2 1 412.494 0.862 20 0 HCADMP CC(C)c1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nc(N(C)C)[nH+]1 ZINC000462925061 1075556328 /nfs/dbraw/zinc/55/63/28/1075556328.db2.gz TYBXIZYQRIZNOI-UHFFFAOYSA-N 2 1 411.576 0.280 20 0 HCADMP Cn1cc([C@H]2CN(CC[NH+]3CCCOCC3)CCN2CC[N@H+]2CCCOCC2)cn1 ZINC000463122593 1075607710 /nfs/dbraw/zinc/60/77/10/1075607710.db2.gz JUVSJWVDXKIOAV-JOCHJYFZSA-N 2 1 420.602 0.523 20 0 HCADMP Cn1cc([C@H]2CN(CC[NH+]3CCCOCC3)CCN2CC[N@@H+]2CCCOCC2)cn1 ZINC000463122593 1075607707 /nfs/dbraw/zinc/60/77/07/1075607707.db2.gz JUVSJWVDXKIOAV-JOCHJYFZSA-N 2 1 420.602 0.523 20 0 HCADMP Cn1cc([C@H]2CN(CC[N@H+]3CCCOCC3)CCN2CC[NH+]2CCCOCC2)cn1 ZINC000463122593 1075607705 /nfs/dbraw/zinc/60/77/05/1075607705.db2.gz JUVSJWVDXKIOAV-JOCHJYFZSA-N 2 1 420.602 0.523 20 0 HCADMP Cn1cc([C@@H]2CN(CC[NH+]3CCCOCC3)CCN2CC[N@H+]2CCCOCC2)cn1 ZINC000463122594 1075607697 /nfs/dbraw/zinc/60/76/97/1075607697.db2.gz JUVSJWVDXKIOAV-QFIPXVFZSA-N 2 1 420.602 0.523 20 0 HCADMP Cn1cc([C@@H]2CN(CC[NH+]3CCCOCC3)CCN2CC[N@@H+]2CCCOCC2)cn1 ZINC000463122594 1075607692 /nfs/dbraw/zinc/60/76/92/1075607692.db2.gz JUVSJWVDXKIOAV-QFIPXVFZSA-N 2 1 420.602 0.523 20 0 HCADMP Cn1cc([C@@H]2CN(CC[N@H+]3CCCOCC3)CCN2CC[NH+]2CCCOCC2)cn1 ZINC000463122594 1075607687 /nfs/dbraw/zinc/60/76/87/1075607687.db2.gz JUVSJWVDXKIOAV-QFIPXVFZSA-N 2 1 420.602 0.523 20 0 HCADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000463228058 1075661219 /nfs/dbraw/zinc/66/12/19/1075661219.db2.gz DSCZWVIYTXMNBS-BGYRXZFFSA-N 2 1 424.586 0.656 20 0 HCADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C(C)C)[C@@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000463228058 1075661216 /nfs/dbraw/zinc/66/12/16/1075661216.db2.gz DSCZWVIYTXMNBS-BGYRXZFFSA-N 2 1 424.586 0.656 20 0 HCADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C(C)C)[C@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000463228058 1075661214 /nfs/dbraw/zinc/66/12/14/1075661214.db2.gz DSCZWVIYTXMNBS-BGYRXZFFSA-N 2 1 424.586 0.656 20 0 HCADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C(C)C)[C@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000463228059 1075661179 /nfs/dbraw/zinc/66/11/79/1075661179.db2.gz DSCZWVIYTXMNBS-PMACEKPBSA-N 2 1 424.586 0.656 20 0 HCADMP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C(C)C)[C@@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000463228060 1075661243 /nfs/dbraw/zinc/66/12/43/1075661243.db2.gz DSCZWVIYTXMNBS-WOJBJXKFSA-N 2 1 424.586 0.656 20 0 HCADMP COC(=O)CCC[NH+]1CCC(Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000463237140 1075665266 /nfs/dbraw/zinc/66/52/66/1075665266.db2.gz KLEHOIGIAPJKGR-UHFFFAOYSA-N 2 1 406.531 0.487 20 0 HCADMP O=S(=O)(CCCN1CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000463350868 1075704319 /nfs/dbraw/zinc/70/43/19/1075704319.db2.gz MFFYFUHTILTKSA-UHFFFAOYSA-N 2 1 411.572 0.235 20 0 HCADMP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629701 1075781365 /nfs/dbraw/zinc/78/13/65/1075781365.db2.gz OHJRSBYALMJDIY-KRWDZBQOSA-N 2 1 424.567 0.434 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629702 1075781301 /nfs/dbraw/zinc/78/13/01/1075781301.db2.gz OHJRSBYALMJDIY-QGZVFWFLSA-N 2 1 424.567 0.434 20 0 HCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)n1 ZINC000464124185 1075869021 /nfs/dbraw/zinc/86/90/21/1075869021.db2.gz UGZHSJYZWAZZQL-KRWDZBQOSA-N 2 1 400.483 0.589 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000465508380 1077926071 /nfs/dbraw/zinc/92/60/71/1077926071.db2.gz LPXZTUNBYUXGMC-KRWDZBQOSA-N 2 1 403.593 0.468 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000465508381 1077925942 /nfs/dbraw/zinc/92/59/42/1077925942.db2.gz LPXZTUNBYUXGMC-QGZVFWFLSA-N 2 1 403.593 0.468 20 0 HCADMP CN1CCC(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)([NH+]2CCCCC2)CC1 ZINC000465534652 1078109703 /nfs/dbraw/zinc/10/97/03/1078109703.db2.gz SFXKHTHRVLYNRK-UHFFFAOYSA-N 2 1 408.591 0.400 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000465545755 1078230424 /nfs/dbraw/zinc/23/04/24/1078230424.db2.gz QLEHCOSQDPTBMJ-UHFFFAOYSA-N 2 1 408.591 0.446 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000465549204 1078615839 /nfs/dbraw/zinc/61/58/39/1078615839.db2.gz JSHIPLQIIHHNTM-UHFFFAOYSA-N 2 1 405.543 0.842 20 0 HCADMP COCCC[N@H+](C)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000465549204 1078615832 /nfs/dbraw/zinc/61/58/32/1078615832.db2.gz JSHIPLQIIHHNTM-UHFFFAOYSA-N 2 1 405.543 0.842 20 0 HCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465581893 1079257209 /nfs/dbraw/zinc/25/72/09/1079257209.db2.gz ZDWWJOMNWZXQPQ-IBGZPJMESA-N 2 1 419.574 0.741 20 0 HCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465581894 1079257262 /nfs/dbraw/zinc/25/72/62/1079257262.db2.gz ZDWWJOMNWZXQPQ-LJQANCHMSA-N 2 1 419.574 0.741 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000465646135 1080241872 /nfs/dbraw/zinc/24/18/72/1080241872.db2.gz NIIULZIBRVDFAW-GOSISDBHSA-N 2 1 421.590 0.829 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000465646136 1080241691 /nfs/dbraw/zinc/24/16/91/1080241691.db2.gz NIIULZIBRVDFAW-SFHVURJKSA-N 2 1 421.590 0.829 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000465659532 1080252658 /nfs/dbraw/zinc/25/26/58/1080252658.db2.gz NKVYWGLNAFDMMC-KRWDZBQOSA-N 2 1 411.572 0.892 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000465659533 1080252460 /nfs/dbraw/zinc/25/24/60/1080252460.db2.gz NKVYWGLNAFDMMC-QGZVFWFLSA-N 2 1 411.572 0.892 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735137 1080288393 /nfs/dbraw/zinc/28/83/93/1080288393.db2.gz DOMNLIQAEWPQSK-DLBZAZTESA-N 2 1 403.593 0.468 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735138 1080288552 /nfs/dbraw/zinc/28/85/52/1080288552.db2.gz DOMNLIQAEWPQSK-IAGOWNOFSA-N 2 1 403.593 0.468 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735139 1080288315 /nfs/dbraw/zinc/28/83/15/1080288315.db2.gz DOMNLIQAEWPQSK-IRXDYDNUSA-N 2 1 403.593 0.468 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735140 1080288418 /nfs/dbraw/zinc/28/84/18/1080288418.db2.gz DOMNLIQAEWPQSK-SJORKVTESA-N 2 1 403.593 0.468 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827280 1080360123 /nfs/dbraw/zinc/36/01/23/1080360123.db2.gz WJYTYVSRXLDHSJ-MOPGFXCFSA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827280 1080360119 /nfs/dbraw/zinc/36/01/19/1080360119.db2.gz WJYTYVSRXLDHSJ-MOPGFXCFSA-N 2 1 410.607 0.502 20 0 HCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827280 1080360116 /nfs/dbraw/zinc/36/01/16/1080360116.db2.gz WJYTYVSRXLDHSJ-MOPGFXCFSA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827281 1080360165 /nfs/dbraw/zinc/36/01/65/1080360165.db2.gz WJYTYVSRXLDHSJ-OALUTQOASA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827281 1080360163 /nfs/dbraw/zinc/36/01/63/1080360163.db2.gz WJYTYVSRXLDHSJ-OALUTQOASA-N 2 1 410.607 0.502 20 0 HCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827281 1080360160 /nfs/dbraw/zinc/36/01/60/1080360160.db2.gz WJYTYVSRXLDHSJ-OALUTQOASA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827282 1080360193 /nfs/dbraw/zinc/36/01/93/1080360193.db2.gz WJYTYVSRXLDHSJ-RBUKOAKNSA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827282 1080360189 /nfs/dbraw/zinc/36/01/89/1080360189.db2.gz WJYTYVSRXLDHSJ-RBUKOAKNSA-N 2 1 410.607 0.502 20 0 HCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827282 1080360186 /nfs/dbraw/zinc/36/01/86/1080360186.db2.gz WJYTYVSRXLDHSJ-RBUKOAKNSA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827283 1080360901 /nfs/dbraw/zinc/36/09/01/1080360901.db2.gz WJYTYVSRXLDHSJ-RTBURBONSA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827283 1080360892 /nfs/dbraw/zinc/36/08/92/1080360892.db2.gz WJYTYVSRXLDHSJ-RTBURBONSA-N 2 1 410.607 0.502 20 0 HCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827283 1080360887 /nfs/dbraw/zinc/36/08/87/1080360887.db2.gz WJYTYVSRXLDHSJ-RTBURBONSA-N 2 1 410.607 0.502 20 0 HCADMP C[C@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000465836072 1080364646 /nfs/dbraw/zinc/36/46/46/1080364646.db2.gz KDEDGHIIJGBAPG-GOSISDBHSA-N 2 1 418.586 0.661 20 0 HCADMP C[C@@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000465836078 1080364624 /nfs/dbraw/zinc/36/46/24/1080364624.db2.gz KDEDGHIIJGBAPG-SFHVURJKSA-N 2 1 418.586 0.661 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000465863601 1080444138 /nfs/dbraw/zinc/44/41/38/1080444138.db2.gz CHFFTSIJVUWYJS-GOSISDBHSA-N 2 1 410.607 0.502 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000465863603 1080445150 /nfs/dbraw/zinc/44/51/50/1080445150.db2.gz CHFFTSIJVUWYJS-SFHVURJKSA-N 2 1 410.607 0.502 20 0 HCADMP C[C@@](O)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C[NH+]1CCOCC1 ZINC000465868364 1080451522 /nfs/dbraw/zinc/45/15/22/1080451522.db2.gz YHRIBFBWUWYDAX-JOCHJYFZSA-N 2 1 420.554 0.526 20 0 HCADMP C[C@](O)(CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C[NH+]1CCOCC1 ZINC000465868365 1080451719 /nfs/dbraw/zinc/45/17/19/1080451719.db2.gz YHRIBFBWUWYDAX-QFIPXVFZSA-N 2 1 420.554 0.526 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000465873428 1080457671 /nfs/dbraw/zinc/45/76/71/1080457671.db2.gz QKRNNPFPOUPBAZ-UHFFFAOYSA-N 2 1 422.618 0.789 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465874274 1080456906 /nfs/dbraw/zinc/45/69/06/1080456906.db2.gz MOJYVRBUKWDYGS-FQEVSTJZSA-N 3 1 424.634 0.987 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465874275 1080456697 /nfs/dbraw/zinc/45/66/97/1080456697.db2.gz MOJYVRBUKWDYGS-HXUWFJFHSA-N 3 1 424.634 0.987 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000465875423 1080463380 /nfs/dbraw/zinc/46/33/80/1080463380.db2.gz KHEWSEIQEKWMAV-UHFFFAOYSA-N 2 1 401.555 0.937 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000465875775 1080463471 /nfs/dbraw/zinc/46/34/71/1080463471.db2.gz MFSMCGLLTIVZAR-IBGZPJMESA-N 3 1 410.607 0.597 20 0 HCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000465875775 1080463460 /nfs/dbraw/zinc/46/34/60/1080463460.db2.gz MFSMCGLLTIVZAR-IBGZPJMESA-N 3 1 410.607 0.597 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000465875775 1080463450 /nfs/dbraw/zinc/46/34/50/1080463450.db2.gz MFSMCGLLTIVZAR-IBGZPJMESA-N 2 1 410.607 0.597 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000465875776 1080463300 /nfs/dbraw/zinc/46/33/00/1080463300.db2.gz MFSMCGLLTIVZAR-LJQANCHMSA-N 3 1 410.607 0.597 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000465875776 1080463289 /nfs/dbraw/zinc/46/32/89/1080463289.db2.gz MFSMCGLLTIVZAR-LJQANCHMSA-N 3 1 410.607 0.597 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000465875776 1080463280 /nfs/dbraw/zinc/46/32/80/1080463280.db2.gz MFSMCGLLTIVZAR-LJQANCHMSA-N 2 1 410.607 0.597 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000465879130 1080463498 /nfs/dbraw/zinc/46/34/98/1080463498.db2.gz QQBBKSUXFPDQIM-UHFFFAOYSA-N 2 1 409.575 0.825 20 0 HCADMP C[C@@](O)(CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887743 1080480342 /nfs/dbraw/zinc/48/03/42/1080480342.db2.gz IEWSHEPQKURVIC-IFMALSPDSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@@](O)(CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887743 1080480338 /nfs/dbraw/zinc/48/03/38/1080480338.db2.gz IEWSHEPQKURVIC-IFMALSPDSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@](O)(CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887744 1080480321 /nfs/dbraw/zinc/48/03/21/1080480321.db2.gz IEWSHEPQKURVIC-IRLDBZIGSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@](O)(CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887744 1080480316 /nfs/dbraw/zinc/48/03/16/1080480316.db2.gz IEWSHEPQKURVIC-IRLDBZIGSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887745 1080480188 /nfs/dbraw/zinc/48/01/88/1080480188.db2.gz IEWSHEPQKURVIC-RBBKRZOGSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887745 1080480180 /nfs/dbraw/zinc/48/01/80/1080480180.db2.gz IEWSHEPQKURVIC-RBBKRZOGSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887746 1080480144 /nfs/dbraw/zinc/48/01/44/1080480144.db2.gz IEWSHEPQKURVIC-UNMCSNQZSA-N 2 1 404.555 0.933 20 0 HCADMP C[C@](O)(CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000465887746 1080480135 /nfs/dbraw/zinc/48/01/35/1080480135.db2.gz IEWSHEPQKURVIC-UNMCSNQZSA-N 2 1 404.555 0.933 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)CCCC2)CC1 ZINC000465905271 1080504552 /nfs/dbraw/zinc/50/45/52/1080504552.db2.gz GOWRCAFJFXMSQB-FQEVSTJZSA-N 2 1 412.575 0.792 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)CCCC2)CC1 ZINC000465905272 1080504730 /nfs/dbraw/zinc/50/47/30/1080504730.db2.gz GOWRCAFJFXMSQB-HXUWFJFHSA-N 2 1 412.575 0.792 20 0 HCADMP C[NH+](C)C1(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)Cc2ccccc2C1 ZINC000465923568 1080537329 /nfs/dbraw/zinc/53/73/29/1080537329.db2.gz DZSFPGQOYRCKBZ-UHFFFAOYSA-N 2 1 417.598 0.775 20 0 HCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945823 1080570981 /nfs/dbraw/zinc/57/09/81/1080570981.db2.gz ALTNQEDNMHAJER-AQNXPRMDSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945825 1080570805 /nfs/dbraw/zinc/57/08/05/1080570805.db2.gz ALTNQEDNMHAJER-HSALFYBXSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945825 1080570794 /nfs/dbraw/zinc/57/07/94/1080570794.db2.gz ALTNQEDNMHAJER-HSALFYBXSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945825 1080570784 /nfs/dbraw/zinc/57/07/84/1080570784.db2.gz ALTNQEDNMHAJER-HSALFYBXSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945827 1080571029 /nfs/dbraw/zinc/57/10/29/1080571029.db2.gz ALTNQEDNMHAJER-VAMGGRTRSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945829 1080571011 /nfs/dbraw/zinc/57/10/11/1080571011.db2.gz ALTNQEDNMHAJER-ZCNNSNEGSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945829 1080571008 /nfs/dbraw/zinc/57/10/08/1080571008.db2.gz ALTNQEDNMHAJER-ZCNNSNEGSA-N 2 1 422.618 0.774 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945829 1080571000 /nfs/dbraw/zinc/57/10/00/1080571000.db2.gz ALTNQEDNMHAJER-ZCNNSNEGSA-N 2 1 422.618 0.774 20 0 HCADMP CN1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947830 1080572554 /nfs/dbraw/zinc/57/25/54/1080572554.db2.gz ICVIDQFJZJUPGD-IBGZPJMESA-N 2 1 422.618 0.823 20 0 HCADMP CN1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947834 1080572414 /nfs/dbraw/zinc/57/24/14/1080572414.db2.gz ICVIDQFJZJUPGD-LJQANCHMSA-N 2 1 422.618 0.823 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000465949721 1080575898 /nfs/dbraw/zinc/57/58/98/1080575898.db2.gz FRDLANOKMGNITM-GOSISDBHSA-N 2 1 409.575 0.908 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000465949722 1080575768 /nfs/dbraw/zinc/57/57/68/1080575768.db2.gz FRDLANOKMGNITM-SFHVURJKSA-N 2 1 409.575 0.908 20 0 HCADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000465951252 1080576869 /nfs/dbraw/zinc/57/68/69/1080576869.db2.gz IFHRFXVMHMBOGV-IBGZPJMESA-N 2 1 401.555 0.972 20 0 HCADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000465951253 1080577080 /nfs/dbraw/zinc/57/70/80/1080577080.db2.gz IFHRFXVMHMBOGV-LJQANCHMSA-N 2 1 401.555 0.972 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952495 1080578599 /nfs/dbraw/zinc/57/85/99/1080578599.db2.gz KGFXJOXZPNVHRE-MOPGFXCFSA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952495 1080578587 /nfs/dbraw/zinc/57/85/87/1080578587.db2.gz KGFXJOXZPNVHRE-MOPGFXCFSA-N 2 1 408.591 0.385 20 0 HCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952495 1080578578 /nfs/dbraw/zinc/57/85/78/1080578578.db2.gz KGFXJOXZPNVHRE-MOPGFXCFSA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952496 1080578409 /nfs/dbraw/zinc/57/84/09/1080578409.db2.gz KGFXJOXZPNVHRE-OALUTQOASA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952496 1080578398 /nfs/dbraw/zinc/57/83/98/1080578398.db2.gz KGFXJOXZPNVHRE-OALUTQOASA-N 2 1 408.591 0.385 20 0 HCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952496 1080578388 /nfs/dbraw/zinc/57/83/88/1080578388.db2.gz KGFXJOXZPNVHRE-OALUTQOASA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952497 1080578695 /nfs/dbraw/zinc/57/86/95/1080578695.db2.gz KGFXJOXZPNVHRE-RBUKOAKNSA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952497 1080578683 /nfs/dbraw/zinc/57/86/83/1080578683.db2.gz KGFXJOXZPNVHRE-RBUKOAKNSA-N 2 1 408.591 0.385 20 0 HCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952497 1080578676 /nfs/dbraw/zinc/57/86/76/1080578676.db2.gz KGFXJOXZPNVHRE-RBUKOAKNSA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952498 1080578557 /nfs/dbraw/zinc/57/85/57/1080578557.db2.gz KGFXJOXZPNVHRE-RTBURBONSA-N 2 1 408.591 0.385 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952498 1080578550 /nfs/dbraw/zinc/57/85/50/1080578550.db2.gz KGFXJOXZPNVHRE-RTBURBONSA-N 2 1 408.591 0.385 20 0 HCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952498 1080578539 /nfs/dbraw/zinc/57/85/39/1080578539.db2.gz KGFXJOXZPNVHRE-RTBURBONSA-N 2 1 408.591 0.385 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000465952505 1080578333 /nfs/dbraw/zinc/57/83/33/1080578333.db2.gz KIJWTXZIGLNPRJ-IBGZPJMESA-N 2 1 409.575 0.718 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000465952506 1080578494 /nfs/dbraw/zinc/57/84/94/1080578494.db2.gz KIJWTXZIGLNPRJ-LJQANCHMSA-N 2 1 409.575 0.718 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465953081 1080578774 /nfs/dbraw/zinc/57/87/74/1080578774.db2.gz LBCIZTJPROJJRR-DENIHFKCSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465953081 1080578766 /nfs/dbraw/zinc/57/87/66/1080578766.db2.gz LBCIZTJPROJJRR-DENIHFKCSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953081 1080578756 /nfs/dbraw/zinc/57/87/56/1080578756.db2.gz LBCIZTJPROJJRR-DENIHFKCSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465953082 1080578832 /nfs/dbraw/zinc/57/88/32/1080578832.db2.gz LBCIZTJPROJJRR-KNQAVFIVSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465953082 1080578825 /nfs/dbraw/zinc/57/88/25/1080578825.db2.gz LBCIZTJPROJJRR-KNQAVFIVSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953082 1080578814 /nfs/dbraw/zinc/57/88/14/1080578814.db2.gz LBCIZTJPROJJRR-KNQAVFIVSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465953083 1080578468 /nfs/dbraw/zinc/57/84/68/1080578468.db2.gz LBCIZTJPROJJRR-SIKLNZKXSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465953083 1080578463 /nfs/dbraw/zinc/57/84/63/1080578463.db2.gz LBCIZTJPROJJRR-SIKLNZKXSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953083 1080578452 /nfs/dbraw/zinc/57/84/52/1080578452.db2.gz LBCIZTJPROJJRR-SIKLNZKXSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465953084 1080578661 /nfs/dbraw/zinc/57/86/61/1080578661.db2.gz LBCIZTJPROJJRR-UGKGYDQZSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465953084 1080578651 /nfs/dbraw/zinc/57/86/51/1080578651.db2.gz LBCIZTJPROJJRR-UGKGYDQZSA-N 2 1 417.554 0.510 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953084 1080578641 /nfs/dbraw/zinc/57/86/41/1080578641.db2.gz LBCIZTJPROJJRR-UGKGYDQZSA-N 2 1 417.554 0.510 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958324 1080590801 /nfs/dbraw/zinc/59/08/01/1080590801.db2.gz SQIGJQYJRWUTHM-HCXYKTFWSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958324 1080590791 /nfs/dbraw/zinc/59/07/91/1080590791.db2.gz SQIGJQYJRWUTHM-HCXYKTFWSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958324 1080590785 /nfs/dbraw/zinc/59/07/85/1080590785.db2.gz SQIGJQYJRWUTHM-HCXYKTFWSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958324 1080590778 /nfs/dbraw/zinc/59/07/78/1080590778.db2.gz SQIGJQYJRWUTHM-HCXYKTFWSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000465958328 1080590986 /nfs/dbraw/zinc/59/09/86/1080590986.db2.gz SQIGJQYJRWUTHM-MKXGPGLRSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000465958328 1080590973 /nfs/dbraw/zinc/59/09/73/1080590973.db2.gz SQIGJQYJRWUTHM-MKXGPGLRSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958329 1080590761 /nfs/dbraw/zinc/59/07/61/1080590761.db2.gz SQIGJQYJRWUTHM-RDGPPVDQSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958329 1080590754 /nfs/dbraw/zinc/59/07/54/1080590754.db2.gz SQIGJQYJRWUTHM-RDGPPVDQSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958329 1080590747 /nfs/dbraw/zinc/59/07/47/1080590747.db2.gz SQIGJQYJRWUTHM-RDGPPVDQSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958329 1080590740 /nfs/dbraw/zinc/59/07/40/1080590740.db2.gz SQIGJQYJRWUTHM-RDGPPVDQSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000465958330 1080590691 /nfs/dbraw/zinc/59/06/91/1080590691.db2.gz SQIGJQYJRWUTHM-YRXWBPOGSA-N 2 1 409.575 0.857 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000465958330 1080590684 /nfs/dbraw/zinc/59/06/84/1080590684.db2.gz SQIGJQYJRWUTHM-YRXWBPOGSA-N 2 1 409.575 0.857 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465963922 1080595175 /nfs/dbraw/zinc/59/51/75/1080595175.db2.gz ZIGZRMWVCPYHJP-GOSISDBHSA-N 2 1 409.575 0.860 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465963924 1080595090 /nfs/dbraw/zinc/59/50/90/1080595090.db2.gz ZIGZRMWVCPYHJP-SFHVURJKSA-N 2 1 409.575 0.860 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000465965938 1080594770 /nfs/dbraw/zinc/59/47/70/1080594770.db2.gz GIZCLHLCMJWEBG-AZUAARDMSA-N 2 1 416.570 0.836 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000465965938 1080594759 /nfs/dbraw/zinc/59/47/59/1080594759.db2.gz GIZCLHLCMJWEBG-AZUAARDMSA-N 2 1 416.570 0.836 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000465965939 1080594430 /nfs/dbraw/zinc/59/44/30/1080594430.db2.gz GIZCLHLCMJWEBG-ICSRJNTNSA-N 2 1 416.570 0.836 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000465965939 1080594421 /nfs/dbraw/zinc/59/44/21/1080594421.db2.gz GIZCLHLCMJWEBG-ICSRJNTNSA-N 2 1 416.570 0.836 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000465965940 1080594266 /nfs/dbraw/zinc/59/42/66/1080594266.db2.gz GIZCLHLCMJWEBG-QUCCMNQESA-N 2 1 416.570 0.836 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000465965940 1080594256 /nfs/dbraw/zinc/59/42/56/1080594256.db2.gz GIZCLHLCMJWEBG-QUCCMNQESA-N 2 1 416.570 0.836 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000465965941 1080594705 /nfs/dbraw/zinc/59/47/05/1080594705.db2.gz GIZCLHLCMJWEBG-UYAOXDASSA-N 2 1 416.570 0.836 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000465965941 1080594695 /nfs/dbraw/zinc/59/46/95/1080594695.db2.gz GIZCLHLCMJWEBG-UYAOXDASSA-N 2 1 416.570 0.836 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993286 1080765944 /nfs/dbraw/zinc/76/59/44/1080765944.db2.gz WSHMGPWVOLRZBN-AEFFLSMTSA-N 2 1 405.547 0.583 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993287 1080766034 /nfs/dbraw/zinc/76/60/34/1080766034.db2.gz WSHMGPWVOLRZBN-FUHWJXTLSA-N 2 1 405.547 0.583 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993288 1080765838 /nfs/dbraw/zinc/76/58/38/1080765838.db2.gz WSHMGPWVOLRZBN-SJLPKXTDSA-N 2 1 405.547 0.583 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993289 1080766019 /nfs/dbraw/zinc/76/60/19/1080766019.db2.gz WSHMGPWVOLRZBN-WMZOPIPTSA-N 2 1 405.547 0.583 20 0 HCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000466016434 1080809786 /nfs/dbraw/zinc/80/97/86/1080809786.db2.gz BEWMHIHUVNEWFP-BJLQDIEVSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000466016434 1080809775 /nfs/dbraw/zinc/80/97/75/1080809775.db2.gz BEWMHIHUVNEWFP-BJLQDIEVSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000466016435 1080809939 /nfs/dbraw/zinc/80/99/39/1080809939.db2.gz BEWMHIHUVNEWFP-CMKODMSKSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000466016435 1080809937 /nfs/dbraw/zinc/80/99/37/1080809937.db2.gz BEWMHIHUVNEWFP-CMKODMSKSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000466016436 1080809970 /nfs/dbraw/zinc/80/99/70/1080809970.db2.gz BEWMHIHUVNEWFP-HBFSDRIKSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000466016436 1080809968 /nfs/dbraw/zinc/80/99/68/1080809968.db2.gz BEWMHIHUVNEWFP-HBFSDRIKSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000466016437 1080809874 /nfs/dbraw/zinc/80/98/74/1080809874.db2.gz BEWMHIHUVNEWFP-WSTZPKSXSA-N 2 1 400.564 0.506 20 0 HCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000466016437 1080809868 /nfs/dbraw/zinc/80/98/68/1080809868.db2.gz BEWMHIHUVNEWFP-WSTZPKSXSA-N 2 1 400.564 0.506 20 0 HCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[N@@H+](C)CCCOC)CC2)CC1 ZINC000466068614 1080862283 /nfs/dbraw/zinc/86/22/83/1080862283.db2.gz PJGWIDNDZBEGHL-UHFFFAOYSA-N 2 1 411.591 0.931 20 0 HCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[N@H+](C)CCCOC)CC2)CC1 ZINC000466068614 1080862281 /nfs/dbraw/zinc/86/22/81/1080862281.db2.gz PJGWIDNDZBEGHL-UHFFFAOYSA-N 2 1 411.591 0.931 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000466110873 1080893976 /nfs/dbraw/zinc/89/39/76/1080893976.db2.gz UHPUJCJGXRBTDF-IBGZPJMESA-N 2 1 408.591 0.210 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000466110874 1080894380 /nfs/dbraw/zinc/89/43/80/1080894380.db2.gz UHPUJCJGXRBTDF-LJQANCHMSA-N 2 1 408.591 0.210 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000466114050 1080895021 /nfs/dbraw/zinc/89/50/21/1080895021.db2.gz GUJFOADVTWMADF-IBGZPJMESA-N 2 1 410.607 0.456 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000466114051 1080895064 /nfs/dbraw/zinc/89/50/64/1080895064.db2.gz GUJFOADVTWMADF-LJQANCHMSA-N 2 1 410.607 0.456 20 0 HCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132602 1080925896 /nfs/dbraw/zinc/92/58/96/1080925896.db2.gz COUDCSUVRNSUSZ-DENIHFKCSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132602 1080925884 /nfs/dbraw/zinc/92/58/84/1080925884.db2.gz COUDCSUVRNSUSZ-DENIHFKCSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132602 1080925871 /nfs/dbraw/zinc/92/58/71/1080925871.db2.gz COUDCSUVRNSUSZ-DENIHFKCSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132603 1080925264 /nfs/dbraw/zinc/92/52/64/1080925264.db2.gz COUDCSUVRNSUSZ-KNQAVFIVSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132603 1080925242 /nfs/dbraw/zinc/92/52/42/1080925242.db2.gz COUDCSUVRNSUSZ-KNQAVFIVSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132603 1080925220 /nfs/dbraw/zinc/92/52/20/1080925220.db2.gz COUDCSUVRNSUSZ-KNQAVFIVSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132604 1080925376 /nfs/dbraw/zinc/92/53/76/1080925376.db2.gz COUDCSUVRNSUSZ-SIKLNZKXSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132604 1080925345 /nfs/dbraw/zinc/92/53/45/1080925345.db2.gz COUDCSUVRNSUSZ-SIKLNZKXSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132604 1080925325 /nfs/dbraw/zinc/92/53/25/1080925325.db2.gz COUDCSUVRNSUSZ-SIKLNZKXSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132605 1080925715 /nfs/dbraw/zinc/92/57/15/1080925715.db2.gz COUDCSUVRNSUSZ-UGKGYDQZSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000466132605 1080925705 /nfs/dbraw/zinc/92/57/05/1080925705.db2.gz COUDCSUVRNSUSZ-UGKGYDQZSA-N 2 1 403.571 0.806 20 0 HCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132605 1080925690 /nfs/dbraw/zinc/92/56/90/1080925690.db2.gz COUDCSUVRNSUSZ-UGKGYDQZSA-N 2 1 403.571 0.806 20 0 HCADMP CN1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000466143710 1080942528 /nfs/dbraw/zinc/94/25/28/1080942528.db2.gz KPDOISMEQVQECS-GOSISDBHSA-N 2 1 408.591 0.576 20 0 HCADMP CN1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000466143720 1080942663 /nfs/dbraw/zinc/94/26/63/1080942663.db2.gz KPDOISMEQVQECS-SFHVURJKSA-N 2 1 408.591 0.576 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160580 1080963769 /nfs/dbraw/zinc/96/37/69/1080963769.db2.gz GVJNYDHQODUOKU-MSOLQXFVSA-N 2 1 419.574 0.973 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160583 1080963231 /nfs/dbraw/zinc/96/32/31/1080963231.db2.gz GVJNYDHQODUOKU-QZTJIDSGSA-N 2 1 419.574 0.973 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160586 1080963985 /nfs/dbraw/zinc/96/39/85/1080963985.db2.gz GVJNYDHQODUOKU-ROUUACIJSA-N 2 1 419.574 0.973 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160590 1080963309 /nfs/dbraw/zinc/96/33/09/1080963309.db2.gz GVJNYDHQODUOKU-ZWKOTPCHSA-N 2 1 419.574 0.973 20 0 HCADMP Cn1nc2c(cc1=O)CN(C(=O)NCC1(N3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000466162169 1080968555 /nfs/dbraw/zinc/96/85/55/1080968555.db2.gz ZMSWEMLGDXHAFI-UHFFFAOYSA-N 2 1 402.543 0.798 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247823 1081041477 /nfs/dbraw/zinc/04/14/77/1081041477.db2.gz MQTSCWSDJONHLZ-MSOLQXFVSA-N 2 1 419.574 0.891 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247824 1081041570 /nfs/dbraw/zinc/04/15/70/1081041570.db2.gz MQTSCWSDJONHLZ-QZTJIDSGSA-N 2 1 419.574 0.891 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247825 1081041644 /nfs/dbraw/zinc/04/16/44/1081041644.db2.gz MQTSCWSDJONHLZ-ROUUACIJSA-N 2 1 419.574 0.891 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247826 1081041721 /nfs/dbraw/zinc/04/17/21/1081041721.db2.gz MQTSCWSDJONHLZ-ZWKOTPCHSA-N 2 1 419.574 0.891 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000467009328 1077300378 /nfs/dbraw/zinc/30/03/78/1077300378.db2.gz NLZFFFXHXSXZLN-JXOCDABTSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000467009328 1077300374 /nfs/dbraw/zinc/30/03/74/1077300374.db2.gz NLZFFFXHXSXZLN-JXOCDABTSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000467009329 1077300478 /nfs/dbraw/zinc/30/04/78/1077300478.db2.gz NLZFFFXHXSXZLN-KZFRKFNSSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@@H](C)O1 ZINC000467009329 1077300474 /nfs/dbraw/zinc/30/04/74/1077300474.db2.gz NLZFFFXHXSXZLN-KZFRKFNSSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009330 1077300527 /nfs/dbraw/zinc/30/05/27/1077300527.db2.gz NLZFFFXHXSXZLN-WCIYBSDLSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009330 1077300521 /nfs/dbraw/zinc/30/05/21/1077300521.db2.gz NLZFFFXHXSXZLN-WCIYBSDLSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)N[C@@]3(CC[NH+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009330 1077300517 /nfs/dbraw/zinc/30/05/17/1077300517.db2.gz NLZFFFXHXSXZLN-WCIYBSDLSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)N[C@@]3(CC[NH+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009330 1077300514 /nfs/dbraw/zinc/30/05/14/1077300514.db2.gz NLZFFFXHXSXZLN-WCIYBSDLSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009331 1077300335 /nfs/dbraw/zinc/30/03/35/1077300335.db2.gz NLZFFFXHXSXZLN-YZIUBNRHSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009331 1077300329 /nfs/dbraw/zinc/30/03/29/1077300329.db2.gz NLZFFFXHXSXZLN-YZIUBNRHSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)N[C@]3(CC[NH+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009331 1077300323 /nfs/dbraw/zinc/30/03/23/1077300323.db2.gz NLZFFFXHXSXZLN-YZIUBNRHSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)N[C@]3(CC[NH+](Cc4ccccc4)C3)C2=O)C[C@H](C)O1 ZINC000467009331 1077300314 /nfs/dbraw/zinc/30/03/14/1077300314.db2.gz NLZFFFXHXSXZLN-YZIUBNRHSA-N 2 1 416.522 0.653 20 0 HCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@@H](C)O1 ZINC000470862186 1078098619 /nfs/dbraw/zinc/09/86/19/1078098619.db2.gz FTQDVEIWFITADN-GFEQUFNTSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@@H](C)O1 ZINC000470862186 1078098613 /nfs/dbraw/zinc/09/86/13/1078098613.db2.gz FTQDVEIWFITADN-GFEQUFNTSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@H](C)O1 ZINC000470862187 1078098498 /nfs/dbraw/zinc/09/84/98/1078098498.db2.gz FTQDVEIWFITADN-PJVZLEMVSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@H](C)O1 ZINC000470862187 1078098492 /nfs/dbraw/zinc/09/84/92/1078098492.db2.gz FTQDVEIWFITADN-PJVZLEMVSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@H](C)O1 ZINC000470862188 1078098562 /nfs/dbraw/zinc/09/85/62/1078098562.db2.gz FTQDVEIWFITADN-XCDZQEORSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@H](C)O1 ZINC000470862188 1078098556 /nfs/dbraw/zinc/09/85/56/1078098556.db2.gz FTQDVEIWFITADN-XCDZQEORSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@@H](C)O1 ZINC000470862189 1078098445 /nfs/dbraw/zinc/09/84/45/1078098445.db2.gz FTQDVEIWFITADN-ZSXDVEMLSA-N 2 1 424.565 0.861 20 0 HCADMP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C[C@@H](C)O1 ZINC000470862189 1078098437 /nfs/dbraw/zinc/09/84/37/1078098437.db2.gz FTQDVEIWFITADN-ZSXDVEMLSA-N 2 1 424.565 0.861 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)o2)C1 ZINC000473693864 1080072123 /nfs/dbraw/zinc/07/21/23/1080072123.db2.gz BICOZDILUUVUDJ-HOTGVXAUSA-N 2 1 408.499 0.181 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)o2)C1 ZINC000473693866 1080072437 /nfs/dbraw/zinc/07/24/37/1080072437.db2.gz BICOZDILUUVUDJ-HZPDHXFCSA-N 2 1 408.499 0.181 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072284 /nfs/dbraw/zinc/07/22/84/1080072284.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 2 1 408.499 0.181 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072275 /nfs/dbraw/zinc/07/22/75/1080072275.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 2 1 408.499 0.181 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072263 /nfs/dbraw/zinc/07/22/63/1080072263.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 2 1 408.499 0.181 20 0 HCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000475759428 1080398794 /nfs/dbraw/zinc/39/87/94/1080398794.db2.gz QJHOCGSTAFSIHA-UHFFFAOYSA-N 2 1 401.515 0.895 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000489814181 1073542575 /nfs/dbraw/zinc/54/25/75/1073542575.db2.gz ULAVSQPSQJVLCV-UHFFFAOYSA-N 2 1 417.554 0.607 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC[NH+]3CCSCC3)ccc2oc1=O ZINC000491532759 1077238723 /nfs/dbraw/zinc/23/87/23/1077238723.db2.gz WCDPLSCVQYDZIO-UHFFFAOYSA-N 2 1 421.523 0.260 20 0 HCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000491572574 1077250117 /nfs/dbraw/zinc/25/01/17/1077250117.db2.gz NRACMERCQKZJSS-KRWDZBQOSA-N 2 1 413.522 0.709 20 0 HCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000491572574 1077250110 /nfs/dbraw/zinc/25/01/10/1077250110.db2.gz NRACMERCQKZJSS-KRWDZBQOSA-N 2 1 413.522 0.709 20 0 HCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000491572574 1077250107 /nfs/dbraw/zinc/25/01/07/1077250107.db2.gz NRACMERCQKZJSS-KRWDZBQOSA-N 2 1 413.522 0.709 20 0 HCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000491572575 1077249944 /nfs/dbraw/zinc/24/99/44/1077249944.db2.gz NRACMERCQKZJSS-QGZVFWFLSA-N 2 1 413.522 0.709 20 0 HCADMP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000491572575 1077249938 /nfs/dbraw/zinc/24/99/38/1077249938.db2.gz NRACMERCQKZJSS-QGZVFWFLSA-N 2 1 413.522 0.709 20 0 HCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000491572575 1077249935 /nfs/dbraw/zinc/24/99/35/1077249935.db2.gz NRACMERCQKZJSS-QGZVFWFLSA-N 2 1 413.522 0.709 20 0 HCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000492625875 1077301854 /nfs/dbraw/zinc/30/18/54/1077301854.db2.gz GXFOZZNHYRMOFT-DLBZAZTESA-N 2 1 405.543 0.575 20 0 HCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000492625876 1077301809 /nfs/dbraw/zinc/30/18/09/1077301809.db2.gz GXFOZZNHYRMOFT-IAGOWNOFSA-N 2 1 405.543 0.575 20 0 HCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000492625877 1077301919 /nfs/dbraw/zinc/30/19/19/1077301919.db2.gz GXFOZZNHYRMOFT-IRXDYDNUSA-N 2 1 405.543 0.575 20 0 HCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000492625878 1077301892 /nfs/dbraw/zinc/30/18/92/1077301892.db2.gz GXFOZZNHYRMOFT-SJORKVTESA-N 2 1 405.543 0.575 20 0 HCADMP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000492652404 1077304870 /nfs/dbraw/zinc/30/48/70/1077304870.db2.gz DAEMPHXTSLXPDY-UHFFFAOYSA-N 2 1 409.619 0.957 20 0 HCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000492661283 1077304931 /nfs/dbraw/zinc/30/49/31/1077304931.db2.gz QJGGYXABVOFYQD-UHFFFAOYSA-N 2 1 415.582 0.995 20 0 HCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000492661283 1077304925 /nfs/dbraw/zinc/30/49/25/1077304925.db2.gz QJGGYXABVOFYQD-UHFFFAOYSA-N 2 1 415.582 0.995 20 0 HCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000492662137 1077305235 /nfs/dbraw/zinc/30/52/35/1077305235.db2.gz VDPIOYHBGRYZMF-UHFFFAOYSA-N 2 1 401.555 0.764 20 0 HCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000492662137 1077305228 /nfs/dbraw/zinc/30/52/28/1077305228.db2.gz VDPIOYHBGRYZMF-UHFFFAOYSA-N 2 1 401.555 0.764 20 0 HCADMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492705555 1077307638 /nfs/dbraw/zinc/30/76/38/1077307638.db2.gz QTBPOHWWYQKGAQ-GOSISDBHSA-N 2 1 405.543 0.522 20 0 HCADMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492705556 1077307677 /nfs/dbraw/zinc/30/76/77/1077307677.db2.gz QTBPOHWWYQKGAQ-SFHVURJKSA-N 2 1 405.543 0.522 20 0 HCADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492837741 1077316969 /nfs/dbraw/zinc/31/69/69/1077316969.db2.gz XAULELQQZIQNPO-IBGZPJMESA-N 2 1 403.571 0.999 20 0 HCADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492837744 1077317098 /nfs/dbraw/zinc/31/70/98/1077317098.db2.gz XAULELQQZIQNPO-LJQANCHMSA-N 2 1 403.571 0.999 20 0 HCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000492852558 1077317468 /nfs/dbraw/zinc/31/74/68/1077317468.db2.gz NXQKZZKPNBOTLQ-UHFFFAOYSA-N 2 1 407.584 0.602 20 0 HCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000492995352 1077321514 /nfs/dbraw/zinc/32/15/14/1077321514.db2.gz RLWWIKMXSVUEDA-UHFFFAOYSA-N 2 1 415.582 0.977 20 0 HCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000492995915 1077321462 /nfs/dbraw/zinc/32/14/62/1077321462.db2.gz UABNFDDLGSGTMA-UHFFFAOYSA-N 2 1 416.570 0.932 20 0 HCADMP C[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N1CC[NH+](C)CC1 ZINC000493233351 1077330070 /nfs/dbraw/zinc/33/00/70/1077330070.db2.gz UHGPVHSXHXKTCT-GOSISDBHSA-N 2 1 401.555 0.764 20 0 HCADMP C[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N1CC[NH+](C)CC1 ZINC000493233352 1077329997 /nfs/dbraw/zinc/32/99/97/1077329997.db2.gz UHGPVHSXHXKTCT-SFHVURJKSA-N 2 1 401.555 0.764 20 0 HCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493895997 1077374975 /nfs/dbraw/zinc/37/49/75/1077374975.db2.gz CDMASZIBVZKEHM-KRWDZBQOSA-N 2 1 404.511 0.746 20 0 HCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493895998 1077374843 /nfs/dbraw/zinc/37/48/43/1077374843.db2.gz CDMASZIBVZKEHM-QGZVFWFLSA-N 2 1 404.511 0.746 20 0 HCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493968297 1077383242 /nfs/dbraw/zinc/38/32/42/1077383242.db2.gz JUXPDZUVJYPQLF-KRWDZBQOSA-N 2 1 404.511 0.746 20 0 HCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493968302 1077383355 /nfs/dbraw/zinc/38/33/55/1077383355.db2.gz JUXPDZUVJYPQLF-QGZVFWFLSA-N 2 1 404.511 0.746 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000494004885 1077386228 /nfs/dbraw/zinc/38/62/28/1077386228.db2.gz UNUIQGUAWYWILV-OTWHNJEPSA-N 2 1 410.559 0.267 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000494004887 1077386214 /nfs/dbraw/zinc/38/62/14/1077386214.db2.gz UNUIQGUAWYWILV-QRVBRYPASA-N 2 1 410.559 0.267 20 0 HCADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000494330946 1077498702 /nfs/dbraw/zinc/49/87/02/1077498702.db2.gz PSRQAVDOJSZLLE-KRWDZBQOSA-N 2 1 406.527 0.789 20 0 HCADMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000494330951 1077498889 /nfs/dbraw/zinc/49/88/89/1077498889.db2.gz PSRQAVDOJSZLLE-QGZVFWFLSA-N 2 1 406.527 0.789 20 0 HCADMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000494396136 1077527507 /nfs/dbraw/zinc/52/75/07/1077527507.db2.gz WMLOGASYCNVPAR-GOSISDBHSA-N 2 1 419.526 0.430 20 0 HCADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000494396142 1077527350 /nfs/dbraw/zinc/52/73/50/1077527350.db2.gz WMLOGASYCNVPAR-SFHVURJKSA-N 2 1 419.526 0.430 20 0 HCADMP CCS(=O)(=O)NCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494540630 1077554798 /nfs/dbraw/zinc/55/47/98/1077554798.db2.gz CVLZWDKVKVCEOS-UHFFFAOYSA-N 2 1 410.584 0.886 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000494542229 1077555208 /nfs/dbraw/zinc/55/52/08/1077555208.db2.gz AYRVLONODXGDKI-UHFFFAOYSA-N 2 1 401.511 0.498 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000494547159 1077556360 /nfs/dbraw/zinc/55/63/60/1077556360.db2.gz NTTSCGDIWYWEFG-UHFFFAOYSA-N 2 1 403.527 0.922 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000494548845 1077556409 /nfs/dbraw/zinc/55/64/09/1077556409.db2.gz TUFZJQBAOKHCAW-NRFANRHFSA-N 2 1 416.566 0.930 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000494548847 1077556171 /nfs/dbraw/zinc/55/61/71/1077556171.db2.gz TUFZJQBAOKHCAW-OAQYLSRUSA-N 2 1 416.566 0.930 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000494550321 1077560103 /nfs/dbraw/zinc/56/01/03/1077560103.db2.gz YCVKFWXKSCSUPY-JOCHJYFZSA-N 2 1 418.582 0.640 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000494550322 1077560011 /nfs/dbraw/zinc/56/00/11/1077560011.db2.gz YCVKFWXKSCSUPY-QFIPXVFZSA-N 2 1 418.582 0.640 20 0 HCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000494570632 1077559644 /nfs/dbraw/zinc/55/96/44/1077559644.db2.gz PRLIMPVUNYALQZ-MOPGFXCFSA-N 2 1 419.574 0.475 20 0 HCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000494570633 1077559281 /nfs/dbraw/zinc/55/92/81/1077559281.db2.gz PRLIMPVUNYALQZ-OALUTQOASA-N 2 1 419.574 0.475 20 0 HCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000494570634 1077559335 /nfs/dbraw/zinc/55/93/35/1077559335.db2.gz PRLIMPVUNYALQZ-RBUKOAKNSA-N 2 1 419.574 0.475 20 0 HCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000494570635 1077559540 /nfs/dbraw/zinc/55/95/40/1077559540.db2.gz PRLIMPVUNYALQZ-RTBURBONSA-N 2 1 419.574 0.475 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000494576438 1077561623 /nfs/dbraw/zinc/56/16/23/1077561623.db2.gz AHRZQQQEPXANPU-UHFFFAOYSA-N 2 1 402.539 0.805 20 0 HCADMP CNS(=O)(=O)CCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494582548 1077562163 /nfs/dbraw/zinc/56/21/63/1077562163.db2.gz PCXNAJIJTDNCKK-UHFFFAOYSA-N 2 1 410.584 0.886 20 0 HCADMP C[C@@](O)(CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C[NH+]1CCOCC1 ZINC000494583896 1077562664 /nfs/dbraw/zinc/56/26/64/1077562664.db2.gz LIHPOLPOFYROIQ-JOCHJYFZSA-N 2 1 405.539 0.704 20 0 HCADMP C[C@](O)(CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C[NH+]1CCOCC1 ZINC000494583897 1077562303 /nfs/dbraw/zinc/56/23/03/1077562303.db2.gz LIHPOLPOFYROIQ-QFIPXVFZSA-N 2 1 405.539 0.704 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000494673263 1077584034 /nfs/dbraw/zinc/58/40/34/1077584034.db2.gz KKPMOHYDNLOKSJ-KRWDZBQOSA-N 2 1 409.575 0.872 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000494673263 1077584024 /nfs/dbraw/zinc/58/40/24/1077584024.db2.gz KKPMOHYDNLOKSJ-KRWDZBQOSA-N 2 1 409.575 0.872 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000494673265 1077583878 /nfs/dbraw/zinc/58/38/78/1077583878.db2.gz KKPMOHYDNLOKSJ-QGZVFWFLSA-N 2 1 409.575 0.872 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000494673265 1077583868 /nfs/dbraw/zinc/58/38/68/1077583868.db2.gz KKPMOHYDNLOKSJ-QGZVFWFLSA-N 2 1 409.575 0.872 20 0 HCADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591316 /nfs/dbraw/zinc/59/13/16/1077591316.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591311 /nfs/dbraw/zinc/59/13/11/1077591311.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591303 /nfs/dbraw/zinc/59/13/03/1077591303.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494702653 1077591519 /nfs/dbraw/zinc/59/15/19/1077591519.db2.gz JYRSJZNUSDVZFZ-IAGOWNOFSA-N 2 1 424.633 0.184 20 0 HCADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702654 1077591430 /nfs/dbraw/zinc/59/14/30/1077591430.db2.gz JYRSJZNUSDVZFZ-IRXDYDNUSA-N 2 1 424.633 0.184 20 0 HCADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)cn2)CC1 ZINC000494840989 1077657031 /nfs/dbraw/zinc/65/70/31/1077657031.db2.gz XCJLQUPDPHOWQL-UHFFFAOYSA-N 2 1 410.588 0.911 20 0 HCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000494870425 1077662762 /nfs/dbraw/zinc/66/27/62/1077662762.db2.gz HXJTWWXHCBYOPV-HKUYNNGSSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000494870425 1077662759 /nfs/dbraw/zinc/66/27/59/1077662759.db2.gz HXJTWWXHCBYOPV-HKUYNNGSSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000494870425 1077662755 /nfs/dbraw/zinc/66/27/55/1077662755.db2.gz HXJTWWXHCBYOPV-HKUYNNGSSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870426 1077662822 /nfs/dbraw/zinc/66/28/22/1077662822.db2.gz HXJTWWXHCBYOPV-IEBWSBKVSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870426 1077662817 /nfs/dbraw/zinc/66/28/17/1077662817.db2.gz HXJTWWXHCBYOPV-IEBWSBKVSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870426 1077662815 /nfs/dbraw/zinc/66/28/15/1077662815.db2.gz HXJTWWXHCBYOPV-IEBWSBKVSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000494870427 1077662907 /nfs/dbraw/zinc/66/29/07/1077662907.db2.gz HXJTWWXHCBYOPV-MJGOQNOKSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000494870427 1077662900 /nfs/dbraw/zinc/66/29/00/1077662900.db2.gz HXJTWWXHCBYOPV-MJGOQNOKSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000494870427 1077662895 /nfs/dbraw/zinc/66/28/95/1077662895.db2.gz HXJTWWXHCBYOPV-MJGOQNOKSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870428 1077662731 /nfs/dbraw/zinc/66/27/31/1077662731.db2.gz HXJTWWXHCBYOPV-PKOBYXMFSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870428 1077662722 /nfs/dbraw/zinc/66/27/22/1077662722.db2.gz HXJTWWXHCBYOPV-PKOBYXMFSA-N 2 1 409.575 0.824 20 0 HCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870428 1077662715 /nfs/dbraw/zinc/66/27/15/1077662715.db2.gz HXJTWWXHCBYOPV-PKOBYXMFSA-N 2 1 409.575 0.824 20 0 HCADMP CC[NH+]1CCC[C@H]1CNC(=O)Cn1nc(C(=O)NC[C@H]2CCC[N@H+]2CC)ccc1=O ZINC000494902753 1077669156 /nfs/dbraw/zinc/66/91/56/1077669156.db2.gz KDWKBPIBZPMZFB-DLBZAZTESA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@H]1CNC(=O)Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC)ccc1=O ZINC000494902753 1077669151 /nfs/dbraw/zinc/66/91/51/1077669151.db2.gz KDWKBPIBZPMZFB-DLBZAZTESA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)n1 ZINC000494902753 1077669144 /nfs/dbraw/zinc/66/91/44/1077669144.db2.gz KDWKBPIBZPMZFB-DLBZAZTESA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cn1nc(C(=O)NC[C@H]2CCC[N@H+]2CC)ccc1=O ZINC000494902854 1077668728 /nfs/dbraw/zinc/66/87/28/1077668728.db2.gz KDWKBPIBZPMZFB-IAGOWNOFSA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC)ccc1=O ZINC000494902854 1077668722 /nfs/dbraw/zinc/66/87/22/1077668722.db2.gz KDWKBPIBZPMZFB-IAGOWNOFSA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCC[N@@H+]2CC)n1 ZINC000494902854 1077668711 /nfs/dbraw/zinc/66/87/11/1077668711.db2.gz KDWKBPIBZPMZFB-IAGOWNOFSA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@H]1CNC(=O)Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]2CC)ccc1=O ZINC000494902855 1077668900 /nfs/dbraw/zinc/66/89/00/1077668900.db2.gz KDWKBPIBZPMZFB-IRXDYDNUSA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@H]1CNC(=O)Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)ccc1=O ZINC000494902855 1077668899 /nfs/dbraw/zinc/66/88/99/1077668899.db2.gz KDWKBPIBZPMZFB-IRXDYDNUSA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)n1 ZINC000494902855 1077668898 /nfs/dbraw/zinc/66/88/98/1077668898.db2.gz KDWKBPIBZPMZFB-IRXDYDNUSA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]2CC)ccc1=O ZINC000494902856 1077668891 /nfs/dbraw/zinc/66/88/91/1077668891.db2.gz KDWKBPIBZPMZFB-SJORKVTESA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)ccc1=O ZINC000494902856 1077668888 /nfs/dbraw/zinc/66/88/88/1077668888.db2.gz KDWKBPIBZPMZFB-SJORKVTESA-N 2 1 418.542 0.058 20 0 HCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCC[N@@H+]2CC)n1 ZINC000494902856 1077668885 /nfs/dbraw/zinc/66/88/85/1077668885.db2.gz KDWKBPIBZPMZFB-SJORKVTESA-N 2 1 418.542 0.058 20 0 HCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1=O ZINC000494934749 1077680267 /nfs/dbraw/zinc/68/02/67/1077680267.db2.gz VPGQHMKPPTVUEI-AQNXPRMDSA-N 2 1 402.539 0.396 20 0 HCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1=O ZINC000494934750 1077680275 /nfs/dbraw/zinc/68/02/75/1077680275.db2.gz VPGQHMKPPTVUEI-VAMGGRTRSA-N 2 1 402.539 0.396 20 0 HCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1=O ZINC000494934751 1077680366 /nfs/dbraw/zinc/68/03/66/1077680366.db2.gz VPGQHMKPPTVUEI-XUVXKRRUSA-N 2 1 402.539 0.396 20 0 HCADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1=O ZINC000494934752 1077680452 /nfs/dbraw/zinc/68/04/52/1077680452.db2.gz VPGQHMKPPTVUEI-ZCNNSNEGSA-N 2 1 402.539 0.396 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000494996138 1077697130 /nfs/dbraw/zinc/69/71/30/1077697130.db2.gz GMZDEKCAGSYTTG-UHFFFAOYSA-N 2 1 402.539 0.785 20 0 HCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000495018766 1077704677 /nfs/dbraw/zinc/70/46/77/1077704677.db2.gz OEAGPUBBOQADMY-UHFFFAOYSA-N 2 1 411.591 0.433 20 0 HCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1)Cc1ccccc1 ZINC000495056502 1077723410 /nfs/dbraw/zinc/72/34/10/1077723410.db2.gz DETISDMKJLUCQM-UHFFFAOYSA-N 2 1 401.511 0.498 20 0 HCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000495110342 1077740409 /nfs/dbraw/zinc/74/04/09/1077740409.db2.gz SFYVEJWXGGWDTI-FXAWDEMLSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000495110342 1077740397 /nfs/dbraw/zinc/74/03/97/1077740397.db2.gz SFYVEJWXGGWDTI-FXAWDEMLSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000495110343 1077740579 /nfs/dbraw/zinc/74/05/79/1077740579.db2.gz SFYVEJWXGGWDTI-PXNSSMCTSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000495110343 1077740574 /nfs/dbraw/zinc/74/05/74/1077740574.db2.gz SFYVEJWXGGWDTI-PXNSSMCTSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000495129058 1077742845 /nfs/dbraw/zinc/74/28/45/1077742845.db2.gz SFYVEJWXGGWDTI-XLIONFOSSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000495129058 1077742835 /nfs/dbraw/zinc/74/28/35/1077742835.db2.gz SFYVEJWXGGWDTI-XLIONFOSSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000495129059 1077743046 /nfs/dbraw/zinc/74/30/46/1077743046.db2.gz SFYVEJWXGGWDTI-YLJYHZDGSA-N 2 1 417.554 0.592 20 0 HCADMP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000495129059 1077743043 /nfs/dbraw/zinc/74/30/43/1077743043.db2.gz SFYVEJWXGGWDTI-YLJYHZDGSA-N 2 1 417.554 0.592 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495132062 1077742284 /nfs/dbraw/zinc/74/22/84/1077742284.db2.gz RVICMJPOCYJBOF-FQEVSTJZSA-N 2 1 402.539 0.961 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495132063 1077742475 /nfs/dbraw/zinc/74/24/75/1077742475.db2.gz RVICMJPOCYJBOF-HXUWFJFHSA-N 2 1 402.539 0.961 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccc2oc1=O ZINC000496035843 1077974289 /nfs/dbraw/zinc/97/42/89/1077974289.db2.gz ZHCAYDXCLFKPHE-PBHICJAKSA-N 2 1 415.494 0.647 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)ccc2oc1=O ZINC000496035844 1077974339 /nfs/dbraw/zinc/97/43/39/1077974339.db2.gz ZHCAYDXCLFKPHE-RHSMWYFYSA-N 2 1 415.494 0.647 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccc2oc1=O ZINC000496035845 1077974045 /nfs/dbraw/zinc/97/40/45/1077974045.db2.gz ZHCAYDXCLFKPHE-WMLDXEAASA-N 2 1 415.494 0.647 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccc2oc1=O ZINC000496035846 1077974152 /nfs/dbraw/zinc/97/41/52/1077974152.db2.gz ZHCAYDXCLFKPHE-YOEHRIQHSA-N 2 1 415.494 0.647 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260315 1078057415 /nfs/dbraw/zinc/05/74/15/1078057415.db2.gz BWUPIUYHIGAYIK-MOPGFXCFSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260315 1078057411 /nfs/dbraw/zinc/05/74/11/1078057411.db2.gz BWUPIUYHIGAYIK-MOPGFXCFSA-N 2 1 401.555 0.690 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260315 1078057407 /nfs/dbraw/zinc/05/74/07/1078057407.db2.gz BWUPIUYHIGAYIK-MOPGFXCFSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260324 1078057326 /nfs/dbraw/zinc/05/73/26/1078057326.db2.gz BWUPIUYHIGAYIK-OALUTQOASA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260324 1078057321 /nfs/dbraw/zinc/05/73/21/1078057321.db2.gz BWUPIUYHIGAYIK-OALUTQOASA-N 2 1 401.555 0.690 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260324 1078057314 /nfs/dbraw/zinc/05/73/14/1078057314.db2.gz BWUPIUYHIGAYIK-OALUTQOASA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260325 1078057473 /nfs/dbraw/zinc/05/74/73/1078057473.db2.gz BWUPIUYHIGAYIK-RBUKOAKNSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260325 1078057468 /nfs/dbraw/zinc/05/74/68/1078057468.db2.gz BWUPIUYHIGAYIK-RBUKOAKNSA-N 2 1 401.555 0.690 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260325 1078057462 /nfs/dbraw/zinc/05/74/62/1078057462.db2.gz BWUPIUYHIGAYIK-RBUKOAKNSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260326 1078057550 /nfs/dbraw/zinc/05/75/50/1078057550.db2.gz BWUPIUYHIGAYIK-RTBURBONSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260326 1078057546 /nfs/dbraw/zinc/05/75/46/1078057546.db2.gz BWUPIUYHIGAYIK-RTBURBONSA-N 2 1 401.555 0.690 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260326 1078057541 /nfs/dbraw/zinc/05/75/41/1078057541.db2.gz BWUPIUYHIGAYIK-RTBURBONSA-N 2 1 401.555 0.690 20 0 HCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496261801 1078057811 /nfs/dbraw/zinc/05/78/11/1078057811.db2.gz GAQCJCUALKFACR-UHFFFAOYSA-N 2 1 411.591 0.134 20 0 HCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496262733 1078057754 /nfs/dbraw/zinc/05/77/54/1078057754.db2.gz HOWWIMVUAGDYAH-GOSISDBHSA-N 2 1 411.591 0.088 20 0 HCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496262734 1078057713 /nfs/dbraw/zinc/05/77/13/1078057713.db2.gz HOWWIMVUAGDYAH-SFHVURJKSA-N 2 1 411.591 0.088 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265765 1078058696 /nfs/dbraw/zinc/05/86/96/1078058696.db2.gz MDNINNHHVWQBES-HKUYNNGSSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265765 1078058691 /nfs/dbraw/zinc/05/86/91/1078058691.db2.gz MDNINNHHVWQBES-HKUYNNGSSA-N 2 1 405.587 0.604 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265765 1078058685 /nfs/dbraw/zinc/05/86/85/1078058685.db2.gz MDNINNHHVWQBES-HKUYNNGSSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265772 1078058613 /nfs/dbraw/zinc/05/86/13/1078058613.db2.gz MDNINNHHVWQBES-IEBWSBKVSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265772 1078058608 /nfs/dbraw/zinc/05/86/08/1078058608.db2.gz MDNINNHHVWQBES-IEBWSBKVSA-N 2 1 405.587 0.604 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265772 1078058603 /nfs/dbraw/zinc/05/86/03/1078058603.db2.gz MDNINNHHVWQBES-IEBWSBKVSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265774 1078058395 /nfs/dbraw/zinc/05/83/95/1078058395.db2.gz MDNINNHHVWQBES-MJGOQNOKSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265774 1078058388 /nfs/dbraw/zinc/05/83/88/1078058388.db2.gz MDNINNHHVWQBES-MJGOQNOKSA-N 2 1 405.587 0.604 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265774 1078058381 /nfs/dbraw/zinc/05/83/81/1078058381.db2.gz MDNINNHHVWQBES-MJGOQNOKSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265775 1078058559 /nfs/dbraw/zinc/05/85/59/1078058559.db2.gz MDNINNHHVWQBES-PKOBYXMFSA-N 2 1 405.587 0.604 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265775 1078058556 /nfs/dbraw/zinc/05/85/56/1078058556.db2.gz MDNINNHHVWQBES-PKOBYXMFSA-N 2 1 405.587 0.604 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265775 1078058553 /nfs/dbraw/zinc/05/85/53/1078058553.db2.gz MDNINNHHVWQBES-PKOBYXMFSA-N 2 1 405.587 0.604 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000496266492 1078058168 /nfs/dbraw/zinc/05/81/68/1078058168.db2.gz NMDQCTIOIPOIQP-UHFFFAOYSA-N 2 1 407.603 0.853 20 0 HCADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496266855 1078058635 /nfs/dbraw/zinc/05/86/35/1078058635.db2.gz OEAZUPFGGVQOIF-UHFFFAOYSA-N 2 1 409.600 0.781 20 0 HCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496267642 1078058466 /nfs/dbraw/zinc/05/84/66/1078058466.db2.gz REMYLDZZODXDLC-UHFFFAOYSA-N 2 1 404.559 0.343 20 0 HCADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496267642 1078058459 /nfs/dbraw/zinc/05/84/59/1078058459.db2.gz REMYLDZZODXDLC-UHFFFAOYSA-N 2 1 404.559 0.343 20 0 HCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496267783 1078058966 /nfs/dbraw/zinc/05/89/66/1078058966.db2.gz RVDBJUQBURACIU-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267938 1078059165 /nfs/dbraw/zinc/05/91/65/1078059165.db2.gz SFDGFQBWQMOUCG-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267938 1078059161 /nfs/dbraw/zinc/05/91/61/1078059161.db2.gz SFDGFQBWQMOUCG-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000496267938 1078059158 /nfs/dbraw/zinc/05/91/58/1078059158.db2.gz SFDGFQBWQMOUCG-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267941 1078059092 /nfs/dbraw/zinc/05/90/92/1078059092.db2.gz SFDGFQBWQMOUCG-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267941 1078059087 /nfs/dbraw/zinc/05/90/87/1078059087.db2.gz SFDGFQBWQMOUCG-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000496267941 1078059080 /nfs/dbraw/zinc/05/90/80/1078059080.db2.gz SFDGFQBWQMOUCG-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267943 1078059037 /nfs/dbraw/zinc/05/90/37/1078059037.db2.gz SFDGFQBWQMOUCG-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267943 1078059030 /nfs/dbraw/zinc/05/90/30/1078059030.db2.gz SFDGFQBWQMOUCG-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000496267943 1078059024 /nfs/dbraw/zinc/05/90/24/1078059024.db2.gz SFDGFQBWQMOUCG-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267944 1078058945 /nfs/dbraw/zinc/05/89/45/1078058945.db2.gz SFDGFQBWQMOUCG-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH+]1Cc1ccccc1 ZINC000496267944 1078058940 /nfs/dbraw/zinc/05/89/40/1078058940.db2.gz SFDGFQBWQMOUCG-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000496267944 1078058934 /nfs/dbraw/zinc/05/89/34/1078058934.db2.gz SFDGFQBWQMOUCG-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC000496268721 1078059351 /nfs/dbraw/zinc/05/93/51/1078059351.db2.gz VMYOBKWTMHXRCL-UHFFFAOYSA-N 2 1 402.543 0.181 20 0 HCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC000496268721 1078059346 /nfs/dbraw/zinc/05/93/46/1078059346.db2.gz VMYOBKWTMHXRCL-UHFFFAOYSA-N 2 1 402.543 0.181 20 0 HCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496280010 1078059566 /nfs/dbraw/zinc/05/95/66/1078059566.db2.gz BDMOCHICVXTIBN-FQEVSTJZSA-N 2 1 407.603 0.996 20 0 HCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000496280010 1078059562 /nfs/dbraw/zinc/05/95/62/1078059562.db2.gz BDMOCHICVXTIBN-FQEVSTJZSA-N 2 1 407.603 0.996 20 0 HCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496280011 1078059796 /nfs/dbraw/zinc/05/97/96/1078059796.db2.gz BDMOCHICVXTIBN-HXUWFJFHSA-N 2 1 407.603 0.996 20 0 HCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496280011 1078059790 /nfs/dbraw/zinc/05/97/90/1078059790.db2.gz BDMOCHICVXTIBN-HXUWFJFHSA-N 2 1 407.603 0.996 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1(C)C ZINC000496281456 1078059955 /nfs/dbraw/zinc/05/99/55/1078059955.db2.gz FVWYOGWGQBTSSH-RBUKOAKNSA-N 2 1 423.602 0.013 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1(C)C ZINC000496281457 1078060218 /nfs/dbraw/zinc/06/02/18/1078060218.db2.gz FVWYOGWGQBTSSH-RTBURBONSA-N 2 1 423.602 0.013 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282578 1078060102 /nfs/dbraw/zinc/06/01/02/1078060102.db2.gz JLLLGNAWQOQQPZ-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282578 1078060097 /nfs/dbraw/zinc/06/00/97/1078060097.db2.gz JLLLGNAWQOQQPZ-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000496282578 1078060091 /nfs/dbraw/zinc/06/00/91/1078060091.db2.gz JLLLGNAWQOQQPZ-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282579 1078059937 /nfs/dbraw/zinc/05/99/37/1078059937.db2.gz JLLLGNAWQOQQPZ-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282579 1078059931 /nfs/dbraw/zinc/05/99/31/1078059931.db2.gz JLLLGNAWQOQQPZ-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000496282579 1078059926 /nfs/dbraw/zinc/05/99/26/1078059926.db2.gz JLLLGNAWQOQQPZ-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282580 1078059973 /nfs/dbraw/zinc/05/99/73/1078059973.db2.gz JLLLGNAWQOQQPZ-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282580 1078059970 /nfs/dbraw/zinc/05/99/70/1078059970.db2.gz JLLLGNAWQOQQPZ-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000496282580 1078059965 /nfs/dbraw/zinc/05/99/65/1078059965.db2.gz JLLLGNAWQOQQPZ-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282581 1078060176 /nfs/dbraw/zinc/06/01/76/1078060176.db2.gz JLLLGNAWQOQQPZ-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282581 1078060170 /nfs/dbraw/zinc/06/01/70/1078060170.db2.gz JLLLGNAWQOQQPZ-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000496282581 1078060166 /nfs/dbraw/zinc/06/01/66/1078060166.db2.gz JLLLGNAWQOQQPZ-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000496285870 1078060787 /nfs/dbraw/zinc/06/07/87/1078060787.db2.gz SCBWCHNRVHNMRJ-UHFFFAOYSA-N 2 1 407.534 0.646 20 0 HCADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000496288172 1078061619 /nfs/dbraw/zinc/06/16/19/1078061619.db2.gz YVPXWNLGUZRKHQ-FQEVSTJZSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000496288172 1078061609 /nfs/dbraw/zinc/06/16/09/1078061609.db2.gz YVPXWNLGUZRKHQ-FQEVSTJZSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000496288172 1078061603 /nfs/dbraw/zinc/06/16/03/1078061603.db2.gz YVPXWNLGUZRKHQ-FQEVSTJZSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000496288173 1078061726 /nfs/dbraw/zinc/06/17/26/1078061726.db2.gz YVPXWNLGUZRKHQ-HXUWFJFHSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000496288173 1078061722 /nfs/dbraw/zinc/06/17/22/1078061722.db2.gz YVPXWNLGUZRKHQ-HXUWFJFHSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000496288173 1078061718 /nfs/dbraw/zinc/06/17/18/1078061718.db2.gz YVPXWNLGUZRKHQ-HXUWFJFHSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330151 1078062496 /nfs/dbraw/zinc/06/24/96/1078062496.db2.gz ODMWWOJDGIUEKJ-AZUAARDMSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330151 1078062493 /nfs/dbraw/zinc/06/24/93/1078062493.db2.gz ODMWWOJDGIUEKJ-AZUAARDMSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330151 1078062490 /nfs/dbraw/zinc/06/24/90/1078062490.db2.gz ODMWWOJDGIUEKJ-AZUAARDMSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330157 1078062633 /nfs/dbraw/zinc/06/26/33/1078062633.db2.gz ODMWWOJDGIUEKJ-ICSRJNTNSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330157 1078062629 /nfs/dbraw/zinc/06/26/29/1078062629.db2.gz ODMWWOJDGIUEKJ-ICSRJNTNSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330157 1078062623 /nfs/dbraw/zinc/06/26/23/1078062623.db2.gz ODMWWOJDGIUEKJ-ICSRJNTNSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330158 1078062574 /nfs/dbraw/zinc/06/25/74/1078062574.db2.gz ODMWWOJDGIUEKJ-QUCCMNQESA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330158 1078062570 /nfs/dbraw/zinc/06/25/70/1078062570.db2.gz ODMWWOJDGIUEKJ-QUCCMNQESA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330158 1078062567 /nfs/dbraw/zinc/06/25/67/1078062567.db2.gz ODMWWOJDGIUEKJ-QUCCMNQESA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330159 1078062678 /nfs/dbraw/zinc/06/26/78/1078062678.db2.gz ODMWWOJDGIUEKJ-UYAOXDASSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330159 1078062674 /nfs/dbraw/zinc/06/26/74/1078062674.db2.gz ODMWWOJDGIUEKJ-UYAOXDASSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330159 1078062667 /nfs/dbraw/zinc/06/26/67/1078062667.db2.gz ODMWWOJDGIUEKJ-UYAOXDASSA-N 2 1 415.582 0.765 20 0 HCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496334969 1078065607 /nfs/dbraw/zinc/06/56/07/1078065607.db2.gz XZVIIAWLCOWLDQ-UHFFFAOYSA-N 2 1 417.554 0.902 20 0 HCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496334969 1078065603 /nfs/dbraw/zinc/06/56/03/1078065603.db2.gz XZVIIAWLCOWLDQ-UHFFFAOYSA-N 2 1 417.554 0.902 20 0 HCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000496335062 1078065275 /nfs/dbraw/zinc/06/52/75/1078065275.db2.gz ZDEVDSOMYZUOTE-UHFFFAOYSA-N 2 1 403.571 0.549 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000496335142 1078065498 /nfs/dbraw/zinc/06/54/98/1078065498.db2.gz ZVUXZBDXLCQXKG-IBGZPJMESA-N 2 1 421.586 0.522 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000496335142 1078065493 /nfs/dbraw/zinc/06/54/93/1078065493.db2.gz ZVUXZBDXLCQXKG-IBGZPJMESA-N 2 1 421.586 0.522 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000496335143 1078065322 /nfs/dbraw/zinc/06/53/22/1078065322.db2.gz ZVUXZBDXLCQXKG-LJQANCHMSA-N 2 1 421.586 0.522 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000496335143 1078065319 /nfs/dbraw/zinc/06/53/19/1078065319.db2.gz ZVUXZBDXLCQXKG-LJQANCHMSA-N 2 1 421.586 0.522 20 0 HCADMP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353690 1078064075 /nfs/dbraw/zinc/06/40/75/1078064075.db2.gz AADSGUXWJUCLBJ-HKUYNNGSSA-N 2 1 422.570 0.996 20 0 HCADMP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353693 1078064133 /nfs/dbraw/zinc/06/41/33/1078064133.db2.gz AADSGUXWJUCLBJ-IEBWSBKVSA-N 2 1 422.570 0.996 20 0 HCADMP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353695 1078064324 /nfs/dbraw/zinc/06/43/24/1078064324.db2.gz AADSGUXWJUCLBJ-MJGOQNOKSA-N 2 1 422.570 0.996 20 0 HCADMP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353697 1078064116 /nfs/dbraw/zinc/06/41/16/1078064116.db2.gz AADSGUXWJUCLBJ-PKOBYXMFSA-N 2 1 422.570 0.996 20 0 HCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC000496363435 1078064863 /nfs/dbraw/zinc/06/48/63/1078064863.db2.gz PSAPNAIRJXNJFG-GOSISDBHSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC000496363435 1078064858 /nfs/dbraw/zinc/06/48/58/1078064858.db2.gz PSAPNAIRJXNJFG-GOSISDBHSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC000496363435 1078064855 /nfs/dbraw/zinc/06/48/55/1078064855.db2.gz PSAPNAIRJXNJFG-GOSISDBHSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC000496363435 1078064850 /nfs/dbraw/zinc/06/48/50/1078064850.db2.gz PSAPNAIRJXNJFG-GOSISDBHSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC000496363436 1078064962 /nfs/dbraw/zinc/06/49/62/1078064962.db2.gz PSAPNAIRJXNJFG-SFHVURJKSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC000496363436 1078064956 /nfs/dbraw/zinc/06/49/56/1078064956.db2.gz PSAPNAIRJXNJFG-SFHVURJKSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC000496363436 1078064952 /nfs/dbraw/zinc/06/49/52/1078064952.db2.gz PSAPNAIRJXNJFG-SFHVURJKSA-N 2 1 411.591 0.088 20 0 HCADMP CCC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC000496363436 1078064944 /nfs/dbraw/zinc/06/49/44/1078064944.db2.gz PSAPNAIRJXNJFG-SFHVURJKSA-N 2 1 411.591 0.088 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1(C)C ZINC000496368198 1078067013 /nfs/dbraw/zinc/06/70/13/1078067013.db2.gz YTLORHSOAKLMES-UHFFFAOYSA-N 2 1 415.582 0.863 20 0 HCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1(C)C ZINC000496368198 1078067008 /nfs/dbraw/zinc/06/70/08/1078067008.db2.gz YTLORHSOAKLMES-UHFFFAOYSA-N 2 1 415.582 0.863 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000496368198 1078067003 /nfs/dbraw/zinc/06/70/03/1078067003.db2.gz YTLORHSOAKLMES-UHFFFAOYSA-N 2 1 415.582 0.863 20 0 HCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000496373480 1078066915 /nfs/dbraw/zinc/06/69/15/1078066915.db2.gz AJQWQICMJBBXRW-UHFFFAOYSA-N 2 1 407.559 0.620 20 0 HCADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496380522 1078066696 /nfs/dbraw/zinc/06/66/96/1078066696.db2.gz QWLBYAADXVNERA-UHFFFAOYSA-N 2 1 421.561 0.858 20 0 HCADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496381227 1078066856 /nfs/dbraw/zinc/06/68/56/1078066856.db2.gz RPSFQRHWQQVLQC-UHFFFAOYSA-N 2 1 421.561 0.858 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000496382690 1078069001 /nfs/dbraw/zinc/06/90/01/1078069001.db2.gz VSJGBRZAJWEDKW-GOSISDBHSA-N 2 1 407.534 0.687 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000496382691 1078069080 /nfs/dbraw/zinc/06/90/80/1078069080.db2.gz VSJGBRZAJWEDKW-SFHVURJKSA-N 2 1 407.534 0.687 20 0 HCADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496392367 1078067878 /nfs/dbraw/zinc/06/78/78/1078067878.db2.gz CETVFUIPGMJUHJ-UHFFFAOYSA-N 2 1 421.561 0.858 20 0 HCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392978 1078068148 /nfs/dbraw/zinc/06/81/48/1078068148.db2.gz FRUCVPVZRAAJBA-CEXWTWQISA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392978 1078068143 /nfs/dbraw/zinc/06/81/43/1078068143.db2.gz FRUCVPVZRAAJBA-CEXWTWQISA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392978 1078068131 /nfs/dbraw/zinc/06/81/31/1078068131.db2.gz FRUCVPVZRAAJBA-CEXWTWQISA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392978 1078068127 /nfs/dbraw/zinc/06/81/27/1078068127.db2.gz FRUCVPVZRAAJBA-CEXWTWQISA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496392979 1078068284 /nfs/dbraw/zinc/06/82/84/1078068284.db2.gz FRUCVPVZRAAJBA-GUDVDZBRSA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496392979 1078068278 /nfs/dbraw/zinc/06/82/78/1078068278.db2.gz FRUCVPVZRAAJBA-GUDVDZBRSA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392980 1078068429 /nfs/dbraw/zinc/06/84/29/1078068429.db2.gz FRUCVPVZRAAJBA-OTWHNJEPSA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392980 1078068425 /nfs/dbraw/zinc/06/84/25/1078068425.db2.gz FRUCVPVZRAAJBA-OTWHNJEPSA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392980 1078068420 /nfs/dbraw/zinc/06/84/20/1078068420.db2.gz FRUCVPVZRAAJBA-OTWHNJEPSA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000496392980 1078068411 /nfs/dbraw/zinc/06/84/11/1078068411.db2.gz FRUCVPVZRAAJBA-OTWHNJEPSA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496392981 1078068211 /nfs/dbraw/zinc/06/82/11/1078068211.db2.gz FRUCVPVZRAAJBA-QRVBRYPASA-N 2 1 423.602 0.229 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000496392981 1078068206 /nfs/dbraw/zinc/06/82/06/1078068206.db2.gz FRUCVPVZRAAJBA-QRVBRYPASA-N 2 1 423.602 0.229 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000496409651 1078070474 /nfs/dbraw/zinc/07/04/74/1078070474.db2.gz CVKGYPQVIZJWNX-UHFFFAOYSA-N 2 1 415.582 0.344 20 0 HCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1(C)C ZINC000496411430 1078069389 /nfs/dbraw/zinc/06/93/89/1078069389.db2.gz MKSVFMFIFFRNTG-UHFFFAOYSA-N 2 1 423.602 0.232 20 0 HCADMP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000496412799 1078069317 /nfs/dbraw/zinc/06/93/17/1078069317.db2.gz RRSQYTSRLVDYNU-UHFFFAOYSA-N 2 1 407.603 0.852 20 0 HCADMP C[NH+](CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000496413098 1078069732 /nfs/dbraw/zinc/06/97/32/1078069732.db2.gz STJDQWBSOMSRRN-UHFFFAOYSA-N 2 1 407.534 0.516 20 0 HCADMP C[NH+](CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000496413098 1078069727 /nfs/dbraw/zinc/06/97/27/1078069727.db2.gz STJDQWBSOMSRRN-UHFFFAOYSA-N 2 1 407.534 0.516 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000496413098 1078069723 /nfs/dbraw/zinc/06/97/23/1078069723.db2.gz STJDQWBSOMSRRN-UHFFFAOYSA-N 2 1 407.534 0.516 20 0 HCADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000497488033 1078257892 /nfs/dbraw/zinc/25/78/92/1078257892.db2.gz JRQQYRLNOMVNNI-PMACEKPBSA-N 2 1 411.591 0.271 20 0 HCADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000497504829 1078262509 /nfs/dbraw/zinc/26/25/09/1078262509.db2.gz NUZZOQIKJKOHEK-UHFFFAOYSA-N 2 1 403.571 0.902 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497640995 1078299109 /nfs/dbraw/zinc/29/91/09/1078299109.db2.gz BBFYTVVBPDKCDZ-MOPGFXCFSA-N 2 1 409.575 0.606 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497641048 1078299681 /nfs/dbraw/zinc/29/96/81/1078299681.db2.gz BBFYTVVBPDKCDZ-OALUTQOASA-N 2 1 409.575 0.606 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497641049 1078299753 /nfs/dbraw/zinc/29/97/53/1078299753.db2.gz BBFYTVVBPDKCDZ-RBUKOAKNSA-N 2 1 409.575 0.606 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497641050 1078299720 /nfs/dbraw/zinc/29/97/20/1078299720.db2.gz BBFYTVVBPDKCDZ-RTBURBONSA-N 2 1 409.575 0.606 20 0 HCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000497643745 1078299730 /nfs/dbraw/zinc/29/97/30/1078299730.db2.gz SQSRGMQKWIJAHJ-UHFFFAOYSA-N 2 1 418.586 0.757 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000497678948 1078303603 /nfs/dbraw/zinc/30/36/03/1078303603.db2.gz OEMHGJBGCRQKTJ-BHIYHBOVSA-N 2 1 409.575 0.641 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000497678950 1078303640 /nfs/dbraw/zinc/30/36/40/1078303640.db2.gz OEMHGJBGCRQKTJ-NEWSRXKRSA-N 2 1 409.575 0.641 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000497678952 1078303563 /nfs/dbraw/zinc/30/35/63/1078303563.db2.gz OEMHGJBGCRQKTJ-NZSAHSFTSA-N 2 1 409.575 0.641 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000497678955 1078303574 /nfs/dbraw/zinc/30/35/74/1078303574.db2.gz OEMHGJBGCRQKTJ-QRQLOZEOSA-N 2 1 409.575 0.641 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497685316 1078306655 /nfs/dbraw/zinc/30/66/55/1078306655.db2.gz CFMFCZQBEVOUCB-AABGKKOBSA-N 2 1 423.602 0.996 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497685317 1078306751 /nfs/dbraw/zinc/30/67/51/1078306751.db2.gz CFMFCZQBEVOUCB-HSALFYBXSA-N 2 1 423.602 0.996 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000497685318 1078306597 /nfs/dbraw/zinc/30/65/97/1078306597.db2.gz CFMFCZQBEVOUCB-SLFFLAALSA-N 2 1 423.602 0.996 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000497685319 1078306718 /nfs/dbraw/zinc/30/67/18/1078306718.db2.gz CFMFCZQBEVOUCB-UFYCRDLUSA-N 2 1 423.602 0.996 20 0 HCADMP O=C(NCC1CC1)[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754272 1078319381 /nfs/dbraw/zinc/31/93/81/1078319381.db2.gz ULGXGKNRWUVEAU-PMACEKPBSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754272 1078319372 /nfs/dbraw/zinc/31/93/72/1078319372.db2.gz ULGXGKNRWUVEAU-PMACEKPBSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319511 /nfs/dbraw/zinc/31/95/11/1078319511.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319506 /nfs/dbraw/zinc/31/95/06/1078319506.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319502 /nfs/dbraw/zinc/31/95/02/1078319502.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319496 /nfs/dbraw/zinc/31/94/96/1078319496.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000497754274 1078319463 /nfs/dbraw/zinc/31/94/63/1078319463.db2.gz ULGXGKNRWUVEAU-WOJBJXKFSA-N 2 1 420.598 0.824 20 0 HCADMP O=C(NCC1CC1)[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000497754274 1078319459 /nfs/dbraw/zinc/31/94/59/1078319459.db2.gz ULGXGKNRWUVEAU-WOJBJXKFSA-N 2 1 420.598 0.824 20 0 HCADMP C[C@@H]1C[N@@H+](C2CCN(C[C@@H](O)C[NH+]3CCC(N4CCO[C@@H](C)C4)CC3)CC2)CCO1 ZINC000497770790 1078322376 /nfs/dbraw/zinc/32/23/76/1078322376.db2.gz ZGFNBQDIWKOTHJ-JHDGKUDLSA-N 2 1 424.630 0.718 20 0 HCADMP C[C@@H]1C[N@H+](C2CCN(C[C@@H](O)C[NH+]3CCC(N4CCO[C@@H](C)C4)CC3)CC2)CCO1 ZINC000497770790 1078322370 /nfs/dbraw/zinc/32/23/70/1078322370.db2.gz ZGFNBQDIWKOTHJ-JHDGKUDLSA-N 2 1 424.630 0.718 20 0 HCADMP C[C@@H]1CN(C2CC[NH+](C[C@@H](O)CN3CCC([N@H+]4CCO[C@@H](C)C4)CC3)CC2)CCO1 ZINC000497770790 1078322365 /nfs/dbraw/zinc/32/23/65/1078322365.db2.gz ZGFNBQDIWKOTHJ-JHDGKUDLSA-N 2 1 424.630 0.718 20 0 HCADMP C[C@H]1CN(C2CC[NH+](CC(O)CN3CCC([N@H+]4CCO[C@@H](C)C4)CC3)CC2)CCO1 ZINC000497770793 1078322329 /nfs/dbraw/zinc/32/23/29/1078322329.db2.gz ZGFNBQDIWKOTHJ-PMACEKPBSA-N 2 1 424.630 0.718 20 0 HCADMP C[C@@H]1CN(C2CC[NH+](CC(O)CN3CCC([N@H+]4CCO[C@H](C)C4)CC3)CC2)CCO1 ZINC000497770795 1078322418 /nfs/dbraw/zinc/32/24/18/1078322418.db2.gz ZGFNBQDIWKOTHJ-WOJBJXKFSA-N 2 1 424.630 0.718 20 0 HCADMP C([C@H]1CC[N@@H+](CC2(CN3CC[C@H](C[NH+]4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845742 1078332499 /nfs/dbraw/zinc/33/24/99/1078332499.db2.gz CMUQLCLDILBWOW-FGZHOGPDSA-N 2 1 422.614 0.311 20 0 HCADMP C([C@H]1CC[N@H+](CC2(CN3CC[C@H](C[NH+]4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845742 1078332495 /nfs/dbraw/zinc/33/24/95/1078332495.db2.gz CMUQLCLDILBWOW-FGZHOGPDSA-N 2 1 422.614 0.311 20 0 HCADMP C([C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845742 1078332488 /nfs/dbraw/zinc/33/24/88/1078332488.db2.gz CMUQLCLDILBWOW-FGZHOGPDSA-N 2 1 422.614 0.311 20 0 HCADMP C([C@@H]1CC[N@@H+](CC2(CN3CC[C@@H](C[NH+]4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845744 1078332425 /nfs/dbraw/zinc/33/24/25/1078332425.db2.gz CMUQLCLDILBWOW-VXKWHMMOSA-N 2 1 422.614 0.311 20 0 HCADMP C([C@@H]1CC[N@H+](CC2(CN3CC[C@@H](C[NH+]4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845744 1078332421 /nfs/dbraw/zinc/33/24/21/1078332421.db2.gz CMUQLCLDILBWOW-VXKWHMMOSA-N 2 1 422.614 0.311 20 0 HCADMP C([C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845744 1078332413 /nfs/dbraw/zinc/33/24/13/1078332413.db2.gz CMUQLCLDILBWOW-VXKWHMMOSA-N 2 1 422.614 0.311 20 0 HCADMP C[NH+](C)CCOc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000498037721 1078359851 /nfs/dbraw/zinc/35/98/51/1078359851.db2.gz FJNNFMYLCANXRQ-UHFFFAOYSA-N 2 1 413.526 0.754 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498203144 1078396152 /nfs/dbraw/zinc/39/61/52/1078396152.db2.gz QRLADQVEMDSRRZ-HKUYNNGSSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498203144 1078396149 /nfs/dbraw/zinc/39/61/49/1078396149.db2.gz QRLADQVEMDSRRZ-HKUYNNGSSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498203148 1078396092 /nfs/dbraw/zinc/39/60/92/1078396092.db2.gz QRLADQVEMDSRRZ-IEBWSBKVSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498203148 1078396088 /nfs/dbraw/zinc/39/60/88/1078396088.db2.gz QRLADQVEMDSRRZ-IEBWSBKVSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498203151 1078396120 /nfs/dbraw/zinc/39/61/20/1078396120.db2.gz QRLADQVEMDSRRZ-MJGOQNOKSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498203151 1078396115 /nfs/dbraw/zinc/39/61/15/1078396115.db2.gz QRLADQVEMDSRRZ-MJGOQNOKSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498203152 1078396064 /nfs/dbraw/zinc/39/60/64/1078396064.db2.gz QRLADQVEMDSRRZ-PKOBYXMFSA-N 2 1 421.586 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498203152 1078396060 /nfs/dbraw/zinc/39/60/60/1078396060.db2.gz QRLADQVEMDSRRZ-PKOBYXMFSA-N 2 1 421.586 0.426 20 0 HCADMP C[NH+](C)CCOC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498330996 1078508035 /nfs/dbraw/zinc/50/80/35/1078508035.db2.gz YJVMMGXBVXZQLG-IBGZPJMESA-N 2 1 410.559 0.269 20 0 HCADMP C[NH+](C)CCOC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498330997 1078508254 /nfs/dbraw/zinc/50/82/54/1078508254.db2.gz YJVMMGXBVXZQLG-LJQANCHMSA-N 2 1 410.559 0.269 20 0 HCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000498412489 1078574462 /nfs/dbraw/zinc/57/44/62/1078574462.db2.gz AUOHQLVTTSHPJK-UHFFFAOYSA-N 2 1 401.511 0.836 20 0 HCADMP NC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498546329 1078707258 /nfs/dbraw/zinc/70/72/58/1078707258.db2.gz JWQCMXUJDYDMCY-UHFFFAOYSA-N 2 1 403.508 0.671 20 0 HCADMP Cc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(N)=O ZINC000498548466 1078714982 /nfs/dbraw/zinc/71/49/82/1078714982.db2.gz MJZMPNHSVHWINY-UHFFFAOYSA-N 2 1 417.535 0.980 20 0 HCADMP CNC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1C ZINC000498559406 1078731836 /nfs/dbraw/zinc/73/18/36/1078731836.db2.gz JHMAVALMFDDEGJ-UHFFFAOYSA-N 2 1 420.539 0.270 20 0 HCADMP NC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498559826 1078731362 /nfs/dbraw/zinc/73/13/62/1078731362.db2.gz MGTUWMYTNLGIPV-UHFFFAOYSA-N 2 1 403.508 0.671 20 0 HCADMP CNC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498560166 1078732217 /nfs/dbraw/zinc/73/22/17/1078732217.db2.gz PJEFIUUZHDSBGE-UHFFFAOYSA-N 2 1 417.535 0.932 20 0 HCADMP Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(N)=O ZINC000498561830 1078722214 /nfs/dbraw/zinc/72/22/14/1078722214.db2.gz SUODLRRKAAVMQY-UHFFFAOYSA-N 2 1 406.512 0.010 20 0 HCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000498747757 1078855616 /nfs/dbraw/zinc/85/56/16/1078855616.db2.gz UUQRINBVRWGRGP-UHFFFAOYSA-N 2 1 415.582 0.721 20 0 HCADMP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000498748343 1078851188 /nfs/dbraw/zinc/85/11/88/1078851188.db2.gz NBIOLNCZUGFZIK-IBGZPJMESA-N 2 1 407.603 0.853 20 0 HCADMP C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000498748344 1078851208 /nfs/dbraw/zinc/85/12/08/1078851208.db2.gz NBIOLNCZUGFZIK-LJQANCHMSA-N 2 1 407.603 0.853 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000498833506 1078906764 /nfs/dbraw/zinc/90/67/64/1078906764.db2.gz XYQYGDSVCVAGNZ-UHFFFAOYSA-N 2 1 405.587 0.772 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)CC1 ZINC000498852828 1078919623 /nfs/dbraw/zinc/91/96/23/1078919623.db2.gz IPARVSMRGGYSGU-YOFSQIOKSA-N 2 1 403.571 0.524 20 0 HCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)CC1 ZINC000498852828 1078919621 /nfs/dbraw/zinc/91/96/21/1078919621.db2.gz IPARVSMRGGYSGU-YOFSQIOKSA-N 2 1 403.571 0.524 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000498852828 1078919617 /nfs/dbraw/zinc/91/96/17/1078919617.db2.gz IPARVSMRGGYSGU-YOFSQIOKSA-N 2 1 403.571 0.524 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000498854001 1078920613 /nfs/dbraw/zinc/92/06/13/1078920613.db2.gz KVHZNSWQKXBPHN-UHFFFAOYSA-N 2 1 402.543 0.574 20 0 HCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000498869059 1078928303 /nfs/dbraw/zinc/92/83/03/1078928303.db2.gz VSNARZHHPQXZRR-IBGZPJMESA-N 2 1 421.586 0.378 20 0 HCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000498869060 1078928383 /nfs/dbraw/zinc/92/83/83/1078928383.db2.gz VSNARZHHPQXZRR-LJQANCHMSA-N 2 1 421.586 0.378 20 0 HCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000498898470 1078937914 /nfs/dbraw/zinc/93/79/14/1078937914.db2.gz PFWQYINFUVJWBA-DLBZAZTESA-N 2 1 411.591 0.710 20 0 HCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000498898471 1078938056 /nfs/dbraw/zinc/93/80/56/1078938056.db2.gz PFWQYINFUVJWBA-IAGOWNOFSA-N 2 1 411.591 0.710 20 0 HCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000498898472 1078937990 /nfs/dbraw/zinc/93/79/90/1078937990.db2.gz PFWQYINFUVJWBA-IRXDYDNUSA-N 2 1 411.591 0.710 20 0 HCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000498898473 1078937851 /nfs/dbraw/zinc/93/78/51/1078937851.db2.gz PFWQYINFUVJWBA-SJORKVTESA-N 2 1 411.591 0.710 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498942369 1078962366 /nfs/dbraw/zinc/96/23/66/1078962366.db2.gz MHPIOEBLZSYMBM-HSZRJFAPSA-N 2 1 414.550 0.850 20 0 HCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498942369 1078962363 /nfs/dbraw/zinc/96/23/63/1078962363.db2.gz MHPIOEBLZSYMBM-HSZRJFAPSA-N 2 1 414.550 0.850 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498942369 1078962357 /nfs/dbraw/zinc/96/23/57/1078962357.db2.gz MHPIOEBLZSYMBM-HSZRJFAPSA-N 2 1 414.550 0.850 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498942370 1078962283 /nfs/dbraw/zinc/96/22/83/1078962283.db2.gz MHPIOEBLZSYMBM-QHCPKHFHSA-N 2 1 414.550 0.850 20 0 HCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498942370 1078962275 /nfs/dbraw/zinc/96/22/75/1078962275.db2.gz MHPIOEBLZSYMBM-QHCPKHFHSA-N 2 1 414.550 0.850 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498942370 1078962269 /nfs/dbraw/zinc/96/22/69/1078962269.db2.gz MHPIOEBLZSYMBM-QHCPKHFHSA-N 2 1 414.550 0.850 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000498943034 1078962607 /nfs/dbraw/zinc/96/26/07/1078962607.db2.gz WTQFLKGUDDJUNW-BGYRXZFFSA-N 2 1 405.587 0.772 20 0 HCADMP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000498943034 1078962594 /nfs/dbraw/zinc/96/25/94/1078962594.db2.gz WTQFLKGUDDJUNW-BGYRXZFFSA-N 2 1 405.587 0.772 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000498943034 1078962579 /nfs/dbraw/zinc/96/25/79/1078962579.db2.gz WTQFLKGUDDJUNW-BGYRXZFFSA-N 2 1 405.587 0.772 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000498943036 1078962334 /nfs/dbraw/zinc/96/23/34/1078962334.db2.gz WTQFLKGUDDJUNW-PMACEKPBSA-N 2 1 405.587 0.772 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000498943037 1078962442 /nfs/dbraw/zinc/96/24/42/1078962442.db2.gz WTQFLKGUDDJUNW-WOJBJXKFSA-N 2 1 405.587 0.772 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000498943870 1078962238 /nfs/dbraw/zinc/96/22/38/1078962238.db2.gz YKAGLYPRVZILNO-FQEVSTJZSA-N 2 1 400.523 0.638 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000498943870 1078962233 /nfs/dbraw/zinc/96/22/33/1078962233.db2.gz YKAGLYPRVZILNO-FQEVSTJZSA-N 2 1 400.523 0.638 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000498943870 1078962225 /nfs/dbraw/zinc/96/22/25/1078962225.db2.gz YKAGLYPRVZILNO-FQEVSTJZSA-N 2 1 400.523 0.638 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000498943872 1078963228 /nfs/dbraw/zinc/96/32/28/1078963228.db2.gz YKAGLYPRVZILNO-HXUWFJFHSA-N 2 1 400.523 0.638 20 0 HCADMP CC1=CC[NH+](CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000498943872 1078963217 /nfs/dbraw/zinc/96/32/17/1078963217.db2.gz YKAGLYPRVZILNO-HXUWFJFHSA-N 2 1 400.523 0.638 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000498943872 1078963213 /nfs/dbraw/zinc/96/32/13/1078963213.db2.gz YKAGLYPRVZILNO-HXUWFJFHSA-N 2 1 400.523 0.638 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000498944536 1078963382 /nfs/dbraw/zinc/96/33/82/1078963382.db2.gz SFBFWYVZKDVFDA-UHFFFAOYSA-N 2 1 421.586 0.498 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC1 ZINC000498952270 1078968972 /nfs/dbraw/zinc/96/89/72/1078968972.db2.gz SABXXYYUDWBSNZ-UHFFFAOYSA-N 2 1 414.554 0.560 20 0 HCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000498960263 1078973108 /nfs/dbraw/zinc/97/31/08/1078973108.db2.gz QZMSPVLEIJJJLG-UHFFFAOYSA-N 2 1 405.587 0.631 20 0 HCADMP COC[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053090 1079025313 /nfs/dbraw/zinc/02/53/13/1079025313.db2.gz HQYPMZCXQCAPFZ-BGYRXZFFSA-N 2 1 424.586 0.374 20 0 HCADMP COC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053090 1079025305 /nfs/dbraw/zinc/02/53/05/1079025305.db2.gz HQYPMZCXQCAPFZ-BGYRXZFFSA-N 2 1 424.586 0.374 20 0 HCADMP COC[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053090 1079025297 /nfs/dbraw/zinc/02/52/97/1079025297.db2.gz HQYPMZCXQCAPFZ-BGYRXZFFSA-N 2 1 424.586 0.374 20 0 HCADMP COC[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053091 1079025468 /nfs/dbraw/zinc/02/54/68/1079025468.db2.gz HQYPMZCXQCAPFZ-PMACEKPBSA-N 2 1 424.586 0.374 20 0 HCADMP COC[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](COC)C3)CC2)C1 ZINC000499053092 1079025347 /nfs/dbraw/zinc/02/53/47/1079025347.db2.gz HQYPMZCXQCAPFZ-WOJBJXKFSA-N 2 1 424.586 0.374 20 0 HCADMP CC[N@@H+](CCCC1CC[NH+](CC(=O)N2CCOCC2)CC1)CC(=O)N1CCOCC1 ZINC000499253905 1079119129 /nfs/dbraw/zinc/11/91/29/1079119129.db2.gz IMYAMAISQSQQMW-UHFFFAOYSA-N 2 1 424.586 0.518 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000499518026 1080559782 /nfs/dbraw/zinc/55/97/82/1080559782.db2.gz AEYLUORSPMGIPC-KRWDZBQOSA-N 2 1 411.572 0.577 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000499518029 1080559536 /nfs/dbraw/zinc/55/95/36/1080559536.db2.gz AEYLUORSPMGIPC-QGZVFWFLSA-N 2 1 411.572 0.577 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000499600341 1080776922 /nfs/dbraw/zinc/77/69/22/1080776922.db2.gz NGQVNIYYKVRJLS-IBGZPJMESA-N 2 1 404.559 0.989 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000499600342 1080777108 /nfs/dbraw/zinc/77/71/08/1080777108.db2.gz NGQVNIYYKVRJLS-LJQANCHMSA-N 2 1 404.559 0.989 20 0 HCADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000499783106 1081222849 /nfs/dbraw/zinc/22/28/49/1081222849.db2.gz RPXQXWHSUSMFRV-FQEVSTJZSA-N 2 1 405.499 0.088 20 0 HCADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000499783107 1081223618 /nfs/dbraw/zinc/22/36/18/1081223618.db2.gz RPXQXWHSUSMFRV-HXUWFJFHSA-N 2 1 405.499 0.088 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)CC1 ZINC000499798328 1081245174 /nfs/dbraw/zinc/24/51/74/1081245174.db2.gz QAJRSTOOUVAZSQ-UHFFFAOYSA-N 2 1 411.591 0.977 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)CC1 ZINC000499798328 1081245153 /nfs/dbraw/zinc/24/51/53/1081245153.db2.gz QAJRSTOOUVAZSQ-UHFFFAOYSA-N 2 1 411.591 0.977 20 0 HCADMP Cn1c(N)c(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(=O)n(C)c1=O ZINC000501053455 1074622063 /nfs/dbraw/zinc/62/20/63/1074622063.db2.gz NPZKABFCTQKJPR-UHFFFAOYSA-N 2 1 400.483 0.092 20 0 HCADMP O=C(CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)NCc1ccccc1 ZINC000501055925 1074622518 /nfs/dbraw/zinc/62/25/18/1074622518.db2.gz XTSYCZHDMBSMTK-UHFFFAOYSA-N 2 1 404.511 0.562 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000505374230 1075514716 /nfs/dbraw/zinc/51/47/16/1075514716.db2.gz AKTIFQWBCASZRH-UHFFFAOYSA-N 2 1 415.582 0.817 20 0 HCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1CC(C)(C)O ZINC000506405910 1075652030 /nfs/dbraw/zinc/65/20/30/1075652030.db2.gz RTKXCRONAAWGDD-KRWDZBQOSA-N 2 1 416.566 0.505 20 0 HCADMP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1CC(C)(C)O ZINC000506405910 1075652023 /nfs/dbraw/zinc/65/20/23/1075652023.db2.gz RTKXCRONAAWGDD-KRWDZBQOSA-N 2 1 416.566 0.505 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000507932246 1075835966 /nfs/dbraw/zinc/83/59/66/1075835966.db2.gz AMCSWAYSRWEXDL-AYHJJNSGSA-N 2 1 407.559 0.131 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000508011357 1075840641 /nfs/dbraw/zinc/84/06/41/1075840641.db2.gz AHHBDCCSCBBQTH-QGZVFWFLSA-N 2 1 407.544 0.699 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC000509068744 1081377981 /nfs/dbraw/zinc/37/79/81/1081377981.db2.gz MCHHADFENZNBAK-KRWDZBQOSA-N 2 1 403.593 0.037 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC000509068748 1081377868 /nfs/dbraw/zinc/37/78/68/1081377868.db2.gz MCHHADFENZNBAK-QGZVFWFLSA-N 2 1 403.593 0.037 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000509707408 1074686340 /nfs/dbraw/zinc/68/63/40/1074686340.db2.gz USJIDNXLMCLCTN-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000509707408 1074686336 /nfs/dbraw/zinc/68/63/36/1074686336.db2.gz USJIDNXLMCLCTN-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000509707408 1074686332 /nfs/dbraw/zinc/68/63/32/1074686332.db2.gz USJIDNXLMCLCTN-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509716353 1074692265 /nfs/dbraw/zinc/69/22/65/1074692265.db2.gz QGDMHIPOASZHEY-UHFFFAOYSA-N 2 1 406.531 0.263 20 0 HCADMP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509716353 1074692256 /nfs/dbraw/zinc/69/22/56/1074692256.db2.gz QGDMHIPOASZHEY-UHFFFAOYSA-N 2 1 406.531 0.263 20 0 HCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000509717632 1074692737 /nfs/dbraw/zinc/69/27/37/1074692737.db2.gz VUYXCSSABILMAW-BGYRXZFFSA-N 2 1 402.539 0.661 20 0 HCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000509717632 1074692730 /nfs/dbraw/zinc/69/27/30/1074692730.db2.gz VUYXCSSABILMAW-BGYRXZFFSA-N 2 1 402.539 0.661 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000509717632 1074692727 /nfs/dbraw/zinc/69/27/27/1074692727.db2.gz VUYXCSSABILMAW-BGYRXZFFSA-N 2 1 402.539 0.661 20 0 HCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509722351 1079003755 /nfs/dbraw/zinc/00/37/55/1079003755.db2.gz REHDSHVJFAFCMH-HDICACEKSA-N 2 1 412.575 0.419 20 0 HCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509722351 1079003745 /nfs/dbraw/zinc/00/37/45/1079003745.db2.gz REHDSHVJFAFCMH-HDICACEKSA-N 2 1 412.575 0.419 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509722351 1079003737 /nfs/dbraw/zinc/00/37/37/1079003737.db2.gz REHDSHVJFAFCMH-HDICACEKSA-N 2 1 412.575 0.419 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509722352 1079004190 /nfs/dbraw/zinc/00/41/90/1079004190.db2.gz REHDSHVJFAFCMH-QZTJIDSGSA-N 2 1 412.575 0.419 20 0 HCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509722353 1079004310 /nfs/dbraw/zinc/00/43/10/1079004310.db2.gz REHDSHVJFAFCMH-ROUUACIJSA-N 2 1 412.575 0.419 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000533978471 1074475146 /nfs/dbraw/zinc/47/51/46/1074475146.db2.gz CULBNNBLZHTPIJ-WCRBZPEASA-N 2 1 406.619 0.965 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000533978653 1074476822 /nfs/dbraw/zinc/47/68/22/1074476822.db2.gz FJUCTPGALAWFOF-UHFFFAOYSA-N 2 1 418.590 0.314 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000533980943 1074489519 /nfs/dbraw/zinc/48/95/19/1074489519.db2.gz CODUBFMYLALJSM-UHFFFAOYSA-N 2 1 417.602 0.919 20 0 HCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000534101026 1074554972 /nfs/dbraw/zinc/55/49/72/1074554972.db2.gz YRFCRMVHJDYECA-UHFFFAOYSA-N 2 1 413.522 0.703 20 0 HCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000534101026 1074554964 /nfs/dbraw/zinc/55/49/64/1074554964.db2.gz YRFCRMVHJDYECA-UHFFFAOYSA-N 2 1 413.522 0.703 20 0 HCADMP C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109704 1074567592 /nfs/dbraw/zinc/56/75/92/1074567592.db2.gz PNTJAEPHVFNMFF-GIVPXCGWSA-N 2 1 403.571 0.805 20 0 HCADMP C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109707 1074567400 /nfs/dbraw/zinc/56/74/00/1074567400.db2.gz PNTJAEPHVFNMFF-HLAWJBBLSA-N 2 1 403.571 0.805 20 0 HCADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109710 1074567524 /nfs/dbraw/zinc/56/75/24/1074567524.db2.gz PNTJAEPHVFNMFF-HMXCVIKNSA-N 2 1 403.571 0.805 20 0 HCADMP C[C@H](CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109711 1074567296 /nfs/dbraw/zinc/56/72/96/1074567296.db2.gz PNTJAEPHVFNMFF-NRSPTQNISA-N 2 1 403.571 0.805 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111886 1074558736 /nfs/dbraw/zinc/55/87/36/1074558736.db2.gz GMLNYPURROLWNC-LEWJYISDSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111886 1074558731 /nfs/dbraw/zinc/55/87/31/1074558731.db2.gz GMLNYPURROLWNC-LEWJYISDSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111886 1074558722 /nfs/dbraw/zinc/55/87/22/1074558722.db2.gz GMLNYPURROLWNC-LEWJYISDSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111887 1074558453 /nfs/dbraw/zinc/55/84/53/1074558453.db2.gz GMLNYPURROLWNC-NHCUHLMSSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111887 1074558446 /nfs/dbraw/zinc/55/84/46/1074558446.db2.gz GMLNYPURROLWNC-NHCUHLMSSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111887 1074558440 /nfs/dbraw/zinc/55/84/40/1074558440.db2.gz GMLNYPURROLWNC-NHCUHLMSSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111888 1074558785 /nfs/dbraw/zinc/55/87/85/1074558785.db2.gz GMLNYPURROLWNC-RTWAWAEBSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111888 1074558781 /nfs/dbraw/zinc/55/87/81/1074558781.db2.gz GMLNYPURROLWNC-RTWAWAEBSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111888 1074558775 /nfs/dbraw/zinc/55/87/75/1074558775.db2.gz GMLNYPURROLWNC-RTWAWAEBSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111889 1074558583 /nfs/dbraw/zinc/55/85/83/1074558583.db2.gz GMLNYPURROLWNC-SFTDATJTSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111889 1074558580 /nfs/dbraw/zinc/55/85/80/1074558580.db2.gz GMLNYPURROLWNC-SFTDATJTSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534111889 1074558571 /nfs/dbraw/zinc/55/85/71/1074558571.db2.gz GMLNYPURROLWNC-SFTDATJTSA-N 2 1 403.571 0.949 20 0 HCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118082 1074560862 /nfs/dbraw/zinc/56/08/62/1074560862.db2.gz MZDCBOCPHAHSOY-AEFFLSMTSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118082 1074560859 /nfs/dbraw/zinc/56/08/59/1074560859.db2.gz MZDCBOCPHAHSOY-AEFFLSMTSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118083 1074560716 /nfs/dbraw/zinc/56/07/16/1074560716.db2.gz MZDCBOCPHAHSOY-FUHWJXTLSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118083 1074560708 /nfs/dbraw/zinc/56/07/08/1074560708.db2.gz MZDCBOCPHAHSOY-FUHWJXTLSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118084 1074561666 /nfs/dbraw/zinc/56/16/66/1074561666.db2.gz MZDCBOCPHAHSOY-SJLPKXTDSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118084 1074561652 /nfs/dbraw/zinc/56/16/52/1074561652.db2.gz MZDCBOCPHAHSOY-SJLPKXTDSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118085 1074562018 /nfs/dbraw/zinc/56/20/18/1074562018.db2.gz MZDCBOCPHAHSOY-WMZOPIPTSA-N 2 1 413.522 0.782 20 0 HCADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118085 1074562013 /nfs/dbraw/zinc/56/20/13/1074562013.db2.gz MZDCBOCPHAHSOY-WMZOPIPTSA-N 2 1 413.522 0.782 20 0 HCADMP O=C(C[NH+]1CCCSCC1)N1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000534128657 1074572446 /nfs/dbraw/zinc/57/24/46/1074572446.db2.gz NHQBJPIXCZUHPB-UHFFFAOYSA-N 2 1 400.614 0.535 20 0 HCADMP C[NH+]1CCC([C@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000534412152 1074610830 /nfs/dbraw/zinc/61/08/30/1074610830.db2.gz YEWMRMOTWJVJNL-PMACEKPBSA-N 2 1 406.571 0.890 20 0 HCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000534412155 1074610790 /nfs/dbraw/zinc/61/07/90/1074610790.db2.gz YEWMRMOTWJVJNL-UXHICEINSA-N 2 1 406.571 0.890 20 0 HCADMP C[NH+]1CCC([C@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000534412158 1074611258 /nfs/dbraw/zinc/61/12/58/1074611258.db2.gz YEWMRMOTWJVJNL-VQTJNVASSA-N 2 1 406.571 0.890 20 0 HCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000534412159 1074611379 /nfs/dbraw/zinc/61/13/79/1074611379.db2.gz YEWMRMOTWJVJNL-WOJBJXKFSA-N 2 1 406.571 0.890 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000534444066 1074624770 /nfs/dbraw/zinc/62/47/70/1074624770.db2.gz OAWCYQJJFKTXRD-YOFSQIOKSA-N 2 1 420.602 0.491 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534444066 1074624768 /nfs/dbraw/zinc/62/47/68/1074624768.db2.gz OAWCYQJJFKTXRD-YOFSQIOKSA-N 2 1 420.602 0.491 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000534446352 1074624639 /nfs/dbraw/zinc/62/46/39/1074624639.db2.gz CATARXBFLRKFNJ-DFNIBXOVSA-N 2 1 406.575 0.149 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534446352 1074624638 /nfs/dbraw/zinc/62/46/38/1074624638.db2.gz CATARXBFLRKFNJ-DFNIBXOVSA-N 2 1 406.575 0.149 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000534477962 1074629046 /nfs/dbraw/zinc/62/90/46/1074629046.db2.gz UGZFGKHSCCCIEL-WCRBZPEASA-N 2 1 406.619 0.965 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534477962 1074629044 /nfs/dbraw/zinc/62/90/44/1074629044.db2.gz UGZFGKHSCCCIEL-WCRBZPEASA-N 2 1 406.619 0.965 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000534477962 1074629040 /nfs/dbraw/zinc/62/90/40/1074629040.db2.gz UGZFGKHSCCCIEL-WCRBZPEASA-N 2 1 406.619 0.965 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000534527035 1074646185 /nfs/dbraw/zinc/64/61/85/1074646185.db2.gz VAAJBXCQJIVHPP-UHFFFAOYSA-N 2 1 410.478 0.058 20 0 HCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534663820 1074671632 /nfs/dbraw/zinc/67/16/32/1074671632.db2.gz UMRVWALXXUHSMK-NRFANRHFSA-N 2 1 403.571 0.800 20 0 HCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534663820 1074671630 /nfs/dbraw/zinc/67/16/30/1074671630.db2.gz UMRVWALXXUHSMK-NRFANRHFSA-N 2 1 403.571 0.800 20 0 HCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534663820 1074671628 /nfs/dbraw/zinc/67/16/28/1074671628.db2.gz UMRVWALXXUHSMK-NRFANRHFSA-N 2 1 403.571 0.800 20 0 HCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534663821 1074671474 /nfs/dbraw/zinc/67/14/74/1074671474.db2.gz UMRVWALXXUHSMK-OAQYLSRUSA-N 2 1 403.571 0.800 20 0 HCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534663821 1074671470 /nfs/dbraw/zinc/67/14/70/1074671470.db2.gz UMRVWALXXUHSMK-OAQYLSRUSA-N 2 1 403.571 0.800 20 0 HCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534663821 1074671466 /nfs/dbraw/zinc/67/14/66/1074671466.db2.gz UMRVWALXXUHSMK-OAQYLSRUSA-N 2 1 403.571 0.800 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534718452 1074696565 /nfs/dbraw/zinc/69/65/65/1074696565.db2.gz YYVVJIXOHGTYBH-JOCHJYFZSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534718453 1074696647 /nfs/dbraw/zinc/69/66/47/1074696647.db2.gz YYVVJIXOHGTYBH-QFIPXVFZSA-N 2 1 403.571 0.949 20 0 HCADMP C[N@@H+](CCCO)C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000534719823 1074697189 /nfs/dbraw/zinc/69/71/89/1074697189.db2.gz BFUYZWBLMCJQFK-IBGZPJMESA-N 2 1 410.559 0.005 20 0 HCADMP C[N@H+](CCCO)C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000534719823 1074697185 /nfs/dbraw/zinc/69/71/85/1074697185.db2.gz BFUYZWBLMCJQFK-IBGZPJMESA-N 2 1 410.559 0.005 20 0 HCADMP C[N@@H+](CCCO)C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000534719829 1074697167 /nfs/dbraw/zinc/69/71/67/1074697167.db2.gz BFUYZWBLMCJQFK-LJQANCHMSA-N 2 1 410.559 0.005 20 0 HCADMP C[N@H+](CCCO)C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000534719829 1074697163 /nfs/dbraw/zinc/69/71/63/1074697163.db2.gz BFUYZWBLMCJQFK-LJQANCHMSA-N 2 1 410.559 0.005 20 0 HCADMP CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)C(=O)NCC[NH+](C)C ZINC000534786680 1074703288 /nfs/dbraw/zinc/70/32/88/1074703288.db2.gz FPBMNCWXILQKRK-SFHVURJKSA-N 2 1 406.575 0.841 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000534810363 1074705227 /nfs/dbraw/zinc/70/52/27/1074705227.db2.gz BMBXLLSLIKIVDR-IYWMVGAKSA-N 2 1 424.586 0.467 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000534810363 1074705215 /nfs/dbraw/zinc/70/52/15/1074705215.db2.gz BMBXLLSLIKIVDR-IYWMVGAKSA-N 2 1 424.586 0.467 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000534810363 1074705205 /nfs/dbraw/zinc/70/52/05/1074705205.db2.gz BMBXLLSLIKIVDR-IYWMVGAKSA-N 2 1 424.586 0.467 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000534810364 1074705642 /nfs/dbraw/zinc/70/56/42/1074705642.db2.gz BMBXLLSLIKIVDR-UAFMIMERSA-N 2 1 424.586 0.467 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000534810365 1074705819 /nfs/dbraw/zinc/70/58/19/1074705819.db2.gz BMBXLLSLIKIVDR-VNTMZGSJSA-N 2 1 424.586 0.467 20 0 HCADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1)[C@H]1CCSC1 ZINC000534835431 1074713349 /nfs/dbraw/zinc/71/33/49/1074713349.db2.gz UWIXCXUTAPIJQX-HOTGVXAUSA-N 2 1 400.614 0.532 20 0 HCADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1)[C@@H]1CCSC1 ZINC000534835440 1074713016 /nfs/dbraw/zinc/71/30/16/1074713016.db2.gz UWIXCXUTAPIJQX-HZPDHXFCSA-N 2 1 400.614 0.532 20 0 HCADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1)[C@H]1CCSC1 ZINC000534835441 1074713276 /nfs/dbraw/zinc/71/32/76/1074713276.db2.gz UWIXCXUTAPIJQX-IYBDPMFKSA-N 2 1 400.614 0.532 20 0 HCADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1)[C@H]1CCSC1 ZINC000534835441 1074713265 /nfs/dbraw/zinc/71/32/65/1074713265.db2.gz UWIXCXUTAPIJQX-IYBDPMFKSA-N 2 1 400.614 0.532 20 0 HCADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1)[C@@H]1CCSC1 ZINC000534835441 1074713257 /nfs/dbraw/zinc/71/32/57/1074713257.db2.gz UWIXCXUTAPIJQX-IYBDPMFKSA-N 2 1 400.614 0.532 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534846280 1074715223 /nfs/dbraw/zinc/71/52/23/1074715223.db2.gz LDIOCKSQRDQZRA-PMACEKPBSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846280 1074715210 /nfs/dbraw/zinc/71/52/10/1074715210.db2.gz LDIOCKSQRDQZRA-PMACEKPBSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534846281 1074715843 /nfs/dbraw/zinc/71/58/43/1074715843.db2.gz LDIOCKSQRDQZRA-UXHICEINSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846281 1074715834 /nfs/dbraw/zinc/71/58/34/1074715834.db2.gz LDIOCKSQRDQZRA-UXHICEINSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534846282 1074716061 /nfs/dbraw/zinc/71/60/61/1074716061.db2.gz LDIOCKSQRDQZRA-VQTJNVASSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846282 1074716053 /nfs/dbraw/zinc/71/60/53/1074716053.db2.gz LDIOCKSQRDQZRA-VQTJNVASSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534846283 1074715711 /nfs/dbraw/zinc/71/57/11/1074715711.db2.gz LDIOCKSQRDQZRA-WOJBJXKFSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534846283 1074715702 /nfs/dbraw/zinc/71/57/02/1074715702.db2.gz LDIOCKSQRDQZRA-WOJBJXKFSA-N 2 1 417.554 0.474 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847431 1074715914 /nfs/dbraw/zinc/71/59/14/1074715914.db2.gz MWVWLOZRZLRTSB-LEWJYISDSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847431 1074715905 /nfs/dbraw/zinc/71/59/05/1074715905.db2.gz MWVWLOZRZLRTSB-LEWJYISDSA-N 2 1 403.571 0.947 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847431 1074715895 /nfs/dbraw/zinc/71/58/95/1074715895.db2.gz MWVWLOZRZLRTSB-LEWJYISDSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847432 1074715809 /nfs/dbraw/zinc/71/58/09/1074715809.db2.gz MWVWLOZRZLRTSB-NHCUHLMSSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847432 1074715805 /nfs/dbraw/zinc/71/58/05/1074715805.db2.gz MWVWLOZRZLRTSB-NHCUHLMSSA-N 2 1 403.571 0.947 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847432 1074715797 /nfs/dbraw/zinc/71/57/97/1074715797.db2.gz MWVWLOZRZLRTSB-NHCUHLMSSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847433 1074715676 /nfs/dbraw/zinc/71/56/76/1074715676.db2.gz MWVWLOZRZLRTSB-RTWAWAEBSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847433 1074715663 /nfs/dbraw/zinc/71/56/63/1074715663.db2.gz MWVWLOZRZLRTSB-RTWAWAEBSA-N 2 1 403.571 0.947 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847433 1074715652 /nfs/dbraw/zinc/71/56/52/1074715652.db2.gz MWVWLOZRZLRTSB-RTWAWAEBSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847434 1074715577 /nfs/dbraw/zinc/71/55/77/1074715577.db2.gz MWVWLOZRZLRTSB-SFTDATJTSA-N 2 1 403.571 0.947 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847434 1074715565 /nfs/dbraw/zinc/71/55/65/1074715565.db2.gz MWVWLOZRZLRTSB-SFTDATJTSA-N 2 1 403.571 0.947 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534847434 1074715557 /nfs/dbraw/zinc/71/55/57/1074715557.db2.gz MWVWLOZRZLRTSB-SFTDATJTSA-N 2 1 403.571 0.947 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849000 1074716658 /nfs/dbraw/zinc/71/66/58/1074716658.db2.gz ZHTFUNORQVPADN-MOPGFXCFSA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849000 1074716654 /nfs/dbraw/zinc/71/66/54/1074716654.db2.gz ZHTFUNORQVPADN-MOPGFXCFSA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849002 1074716419 /nfs/dbraw/zinc/71/64/19/1074716419.db2.gz ZHTFUNORQVPADN-OALUTQOASA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849002 1074716408 /nfs/dbraw/zinc/71/64/08/1074716408.db2.gz ZHTFUNORQVPADN-OALUTQOASA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849003 1074716589 /nfs/dbraw/zinc/71/65/89/1074716589.db2.gz ZHTFUNORQVPADN-RBUKOAKNSA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849003 1074716581 /nfs/dbraw/zinc/71/65/81/1074716581.db2.gz ZHTFUNORQVPADN-RBUKOAKNSA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849006 1074716473 /nfs/dbraw/zinc/71/64/73/1074716473.db2.gz ZHTFUNORQVPADN-RTBURBONSA-N 2 1 403.527 0.085 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849006 1074716463 /nfs/dbraw/zinc/71/64/63/1074716463.db2.gz ZHTFUNORQVPADN-RTBURBONSA-N 2 1 403.527 0.085 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849126 1074716687 /nfs/dbraw/zinc/71/66/87/1074716687.db2.gz WOIJLFMZTDGIHA-MOPGFXCFSA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849126 1074716681 /nfs/dbraw/zinc/71/66/81/1074716681.db2.gz WOIJLFMZTDGIHA-MOPGFXCFSA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849127 1074716535 /nfs/dbraw/zinc/71/65/35/1074716535.db2.gz WOIJLFMZTDGIHA-OALUTQOASA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849127 1074716524 /nfs/dbraw/zinc/71/65/24/1074716524.db2.gz WOIJLFMZTDGIHA-OALUTQOASA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849128 1074716633 /nfs/dbraw/zinc/71/66/33/1074716633.db2.gz WOIJLFMZTDGIHA-RBUKOAKNSA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849128 1074716628 /nfs/dbraw/zinc/71/66/28/1074716628.db2.gz WOIJLFMZTDGIHA-RBUKOAKNSA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000534849130 1074716302 /nfs/dbraw/zinc/71/63/02/1074716302.db2.gz WOIJLFMZTDGIHA-RTBURBONSA-N 2 1 403.527 0.131 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534849130 1074716294 /nfs/dbraw/zinc/71/62/94/1074716294.db2.gz WOIJLFMZTDGIHA-RTBURBONSA-N 2 1 403.527 0.131 20 0 HCADMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133581 1074757652 /nfs/dbraw/zinc/75/76/52/1074757652.db2.gz JXSKXSYTCOWQQH-CRAIPNDOSA-N 2 1 420.535 0.630 20 0 HCADMP C[NH+]1CCC([C@H]2CC[N@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133589 1074757556 /nfs/dbraw/zinc/75/75/56/1074757556.db2.gz JXSKXSYTCOWQQH-MAUKXSAKSA-N 2 1 420.535 0.630 20 0 HCADMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133593 1074757593 /nfs/dbraw/zinc/75/75/93/1074757593.db2.gz JXSKXSYTCOWQQH-QAPCUYQASA-N 2 1 420.535 0.630 20 0 HCADMP C[NH+]1CCC([C@H]2CC[N@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535134051 1074757674 /nfs/dbraw/zinc/75/76/74/1074757674.db2.gz JXSKXSYTCOWQQH-YJBOKZPZSA-N 2 1 420.535 0.630 20 0 HCADMP C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000535191044 1074763498 /nfs/dbraw/zinc/76/34/98/1074763498.db2.gz KQXRLWBXHBJFTP-CBQMWWCCSA-N 2 1 406.619 0.822 20 0 HCADMP C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000535191044 1074763494 /nfs/dbraw/zinc/76/34/94/1074763494.db2.gz KQXRLWBXHBJFTP-CBQMWWCCSA-N 2 1 406.619 0.822 20 0 HCADMP C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C[NH+]1CCN(C)CC1 ZINC000535191044 1074763485 /nfs/dbraw/zinc/76/34/85/1074763485.db2.gz KQXRLWBXHBJFTP-CBQMWWCCSA-N 2 1 406.619 0.822 20 0 HCADMP C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000535191058 1074763638 /nfs/dbraw/zinc/76/36/38/1074763638.db2.gz KQXRLWBXHBJFTP-MQEZQYLSSA-N 2 1 406.619 0.822 20 0 HCADMP C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000535191058 1074763627 /nfs/dbraw/zinc/76/36/27/1074763627.db2.gz KQXRLWBXHBJFTP-MQEZQYLSSA-N 2 1 406.619 0.822 20 0 HCADMP C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C[NH+]1CCN(C)CC1 ZINC000535191058 1074763617 /nfs/dbraw/zinc/76/36/17/1074763617.db2.gz KQXRLWBXHBJFTP-MQEZQYLSSA-N 2 1 406.619 0.822 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259849 1074773379 /nfs/dbraw/zinc/77/33/79/1074773379.db2.gz FSFSCFZPOHYUBS-LEWJYISDSA-N 2 1 416.566 0.989 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259855 1074773459 /nfs/dbraw/zinc/77/34/59/1074773459.db2.gz FSFSCFZPOHYUBS-NHCUHLMSSA-N 2 1 416.566 0.989 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259856 1074773555 /nfs/dbraw/zinc/77/35/55/1074773555.db2.gz FSFSCFZPOHYUBS-RTWAWAEBSA-N 2 1 416.566 0.989 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000535259857 1074773423 /nfs/dbraw/zinc/77/34/23/1074773423.db2.gz FSFSCFZPOHYUBS-SFTDATJTSA-N 2 1 416.566 0.989 20 0 HCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000535307860 1074783848 /nfs/dbraw/zinc/78/38/48/1074783848.db2.gz JKYTYSQPKASMMR-IUPYZPJSSA-N 2 1 421.630 0.702 20 0 HCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000535307860 1074783841 /nfs/dbraw/zinc/78/38/41/1074783841.db2.gz JKYTYSQPKASMMR-IUPYZPJSSA-N 2 1 421.630 0.702 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000535307860 1074783834 /nfs/dbraw/zinc/78/38/34/1074783834.db2.gz JKYTYSQPKASMMR-IUPYZPJSSA-N 2 1 421.630 0.702 20 0 HCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000535307872 1074783974 /nfs/dbraw/zinc/78/39/74/1074783974.db2.gz JKYTYSQPKASMMR-PJEZACDQSA-N 2 1 421.630 0.702 20 0 HCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000535307872 1074783963 /nfs/dbraw/zinc/78/39/63/1074783963.db2.gz JKYTYSQPKASMMR-PJEZACDQSA-N 2 1 421.630 0.702 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000535307872 1074783955 /nfs/dbraw/zinc/78/39/55/1074783955.db2.gz JKYTYSQPKASMMR-PJEZACDQSA-N 2 1 421.630 0.702 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000535330185 1074785967 /nfs/dbraw/zinc/78/59/67/1074785967.db2.gz NHWXNMWKOWZABW-GOSISDBHSA-N 2 1 417.620 0.858 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000535330192 1074786045 /nfs/dbraw/zinc/78/60/45/1074786045.db2.gz NHWXNMWKOWZABW-SFHVURJKSA-N 2 1 417.620 0.858 20 0 HCADMP CC[NH+]1CCN(c2ccc(C(=O)NCCCCN3CC[NH+](CCO)CC3)cc2)CC1 ZINC000535380436 1074797073 /nfs/dbraw/zinc/79/70/73/1074797073.db2.gz OHWLOAOPJSYXAV-UHFFFAOYSA-N 2 1 417.598 0.948 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000535429435 1074804200 /nfs/dbraw/zinc/80/42/00/1074804200.db2.gz DGRVBDWGYCVLDG-UHFFFAOYSA-N 2 1 422.618 0.598 20 0 HCADMP C[NH+](C)C1CCN(CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000535429714 1074804610 /nfs/dbraw/zinc/80/46/10/1074804610.db2.gz QXZQGSKGPXWTIM-UHFFFAOYSA-N 2 1 408.591 0.208 20 0 HCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000535429748 1074804603 /nfs/dbraw/zinc/80/46/03/1074804603.db2.gz SZTVWXFWFMDOIC-UHFFFAOYSA-N 2 1 410.607 0.598 20 0 HCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000535429748 1074804600 /nfs/dbraw/zinc/80/46/00/1074804600.db2.gz SZTVWXFWFMDOIC-UHFFFAOYSA-N 2 1 410.607 0.598 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535559786 1074821637 /nfs/dbraw/zinc/82/16/37/1074821637.db2.gz VTBFUECNYSOYIX-AABGKKOBSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000535559786 1074821634 /nfs/dbraw/zinc/82/16/34/1074821634.db2.gz VTBFUECNYSOYIX-AABGKKOBSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559786 1074821632 /nfs/dbraw/zinc/82/16/32/1074821632.db2.gz VTBFUECNYSOYIX-AABGKKOBSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535559787 1074821858 /nfs/dbraw/zinc/82/18/58/1074821858.db2.gz VTBFUECNYSOYIX-AQNXPRMDSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000535559787 1074821855 /nfs/dbraw/zinc/82/18/55/1074821855.db2.gz VTBFUECNYSOYIX-AQNXPRMDSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559787 1074821849 /nfs/dbraw/zinc/82/18/49/1074821849.db2.gz VTBFUECNYSOYIX-AQNXPRMDSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535559788 1074821751 /nfs/dbraw/zinc/82/17/51/1074821751.db2.gz VTBFUECNYSOYIX-HSALFYBXSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000535559788 1074821748 /nfs/dbraw/zinc/82/17/48/1074821748.db2.gz VTBFUECNYSOYIX-HSALFYBXSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559788 1074821744 /nfs/dbraw/zinc/82/17/44/1074821744.db2.gz VTBFUECNYSOYIX-HSALFYBXSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535559789 1074821885 /nfs/dbraw/zinc/82/18/85/1074821885.db2.gz VTBFUECNYSOYIX-VAMGGRTRSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000535559789 1074821884 /nfs/dbraw/zinc/82/18/84/1074821884.db2.gz VTBFUECNYSOYIX-VAMGGRTRSA-N 2 1 417.554 0.508 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559789 1074821878 /nfs/dbraw/zinc/82/18/78/1074821878.db2.gz VTBFUECNYSOYIX-VAMGGRTRSA-N 2 1 417.554 0.508 20 0 HCADMP O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571549 1075095614 /nfs/dbraw/zinc/09/56/14/1075095614.db2.gz OWKKUTQOYOQYAO-MOPGFXCFSA-N 2 1 420.473 0.957 20 0 HCADMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571550 1075095622 /nfs/dbraw/zinc/09/56/22/1075095622.db2.gz OWKKUTQOYOQYAO-OALUTQOASA-N 2 1 420.473 0.957 20 0 HCADMP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571551 1075095594 /nfs/dbraw/zinc/09/55/94/1075095594.db2.gz OWKKUTQOYOQYAO-RBUKOAKNSA-N 2 1 420.473 0.957 20 0 HCADMP O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571552 1075095545 /nfs/dbraw/zinc/09/55/45/1075095545.db2.gz OWKKUTQOYOQYAO-RTBURBONSA-N 2 1 420.473 0.957 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)ccc2oc1=O ZINC000539465274 1075333745 /nfs/dbraw/zinc/33/37/45/1075333745.db2.gz FWTLCYVSWRHALJ-UHFFFAOYSA-N 2 1 401.467 0.473 20 0 HCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000539529250 1075368610 /nfs/dbraw/zinc/36/86/10/1075368610.db2.gz RCRGDVJMZVZALB-UHFFFAOYSA-N 2 1 423.583 0.997 20 0 HCADMP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008813 1075536265 /nfs/dbraw/zinc/53/62/65/1075536265.db2.gz VWZPLHMTKLYFKU-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008813 1075536259 /nfs/dbraw/zinc/53/62/59/1075536259.db2.gz VWZPLHMTKLYFKU-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008813 1075536254 /nfs/dbraw/zinc/53/62/54/1075536254.db2.gz VWZPLHMTKLYFKU-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000540008817 1075536190 /nfs/dbraw/zinc/53/61/90/1075536190.db2.gz VWZPLHMTKLYFKU-IAGOWNOFSA-N 2 1 424.633 0.184 20 0 HCADMP CCNS(=O)(=O)[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008819 1075536271 /nfs/dbraw/zinc/53/62/71/1075536271.db2.gz VWZPLHMTKLYFKU-IRXDYDNUSA-N 2 1 424.633 0.184 20 0 HCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540080627 1075559336 /nfs/dbraw/zinc/55/93/36/1075559336.db2.gz VXTWRTHWCLQCCZ-UHFFFAOYSA-N 2 1 418.586 0.987 20 0 HCADMP COCC[N@@H+](C)CCCC1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000540099614 1075559974 /nfs/dbraw/zinc/55/99/74/1075559974.db2.gz DSMRJVHDIUAULF-UHFFFAOYSA-N 2 1 406.531 0.531 20 0 HCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCOc3ccc(NS(C)(=O)=O)cc3)cn2)CC1 ZINC000540203235 1075581345 /nfs/dbraw/zinc/58/13/45/1075581345.db2.gz PKQZAFHDKKVAJX-UHFFFAOYSA-N 2 1 420.539 0.769 20 0 HCADMP COC(=O)Cn1cc(CC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000540244640 1075589821 /nfs/dbraw/zinc/58/98/21/1075589821.db2.gz CYLVHAGSMKYIQA-CALCHBBNSA-N 2 1 409.531 0.584 20 0 HCADMP COC(=O)Cn1cc(CC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000540244640 1075589816 /nfs/dbraw/zinc/58/98/16/1075589816.db2.gz CYLVHAGSMKYIQA-CALCHBBNSA-N 2 1 409.531 0.584 20 0 HCADMP COC(=O)Cn1cc(CC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000540244641 1075590015 /nfs/dbraw/zinc/59/00/15/1075590015.db2.gz CYLVHAGSMKYIQA-IAGOWNOFSA-N 2 1 409.531 0.584 20 0 HCADMP COC(=O)Cn1cc(CC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000540244642 1075590060 /nfs/dbraw/zinc/59/00/60/1075590060.db2.gz CYLVHAGSMKYIQA-IRXDYDNUSA-N 2 1 409.531 0.584 20 0 HCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000540376371 1075641703 /nfs/dbraw/zinc/64/17/03/1075641703.db2.gz PTGOCJSAFVAOAU-UHFFFAOYSA-N 2 1 418.542 0.802 20 0 HCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000540382281 1075656511 /nfs/dbraw/zinc/65/65/11/1075656511.db2.gz ASZJVNJAKZZCBY-UHFFFAOYSA-N 2 1 415.538 0.542 20 0 HCADMP C[N@H+](CCc1cccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000540382281 1075656510 /nfs/dbraw/zinc/65/65/10/1075656510.db2.gz ASZJVNJAKZZCBY-UHFFFAOYSA-N 2 1 415.538 0.542 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412844 1075663463 /nfs/dbraw/zinc/66/34/63/1075663463.db2.gz XMBCPTMNKNVWPX-DLBZAZTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412844 1075663455 /nfs/dbraw/zinc/66/34/55/1075663455.db2.gz XMBCPTMNKNVWPX-DLBZAZTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412844 1075663450 /nfs/dbraw/zinc/66/34/50/1075663450.db2.gz XMBCPTMNKNVWPX-DLBZAZTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412844 1075663446 /nfs/dbraw/zinc/66/34/46/1075663446.db2.gz XMBCPTMNKNVWPX-DLBZAZTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412845 1075663612 /nfs/dbraw/zinc/66/36/12/1075663612.db2.gz XMBCPTMNKNVWPX-IAGOWNOFSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412845 1075663609 /nfs/dbraw/zinc/66/36/09/1075663609.db2.gz XMBCPTMNKNVWPX-IAGOWNOFSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412845 1075663607 /nfs/dbraw/zinc/66/36/07/1075663607.db2.gz XMBCPTMNKNVWPX-IAGOWNOFSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412845 1075663604 /nfs/dbraw/zinc/66/36/04/1075663604.db2.gz XMBCPTMNKNVWPX-IAGOWNOFSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412846 1075663577 /nfs/dbraw/zinc/66/35/77/1075663577.db2.gz XMBCPTMNKNVWPX-IRXDYDNUSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412846 1075663573 /nfs/dbraw/zinc/66/35/73/1075663573.db2.gz XMBCPTMNKNVWPX-IRXDYDNUSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412846 1075663569 /nfs/dbraw/zinc/66/35/69/1075663569.db2.gz XMBCPTMNKNVWPX-IRXDYDNUSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000540412846 1075663563 /nfs/dbraw/zinc/66/35/63/1075663563.db2.gz XMBCPTMNKNVWPX-IRXDYDNUSA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412847 1075663298 /nfs/dbraw/zinc/66/32/98/1075663298.db2.gz XMBCPTMNKNVWPX-SJORKVTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412847 1075663292 /nfs/dbraw/zinc/66/32/92/1075663292.db2.gz XMBCPTMNKNVWPX-SJORKVTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412847 1075663287 /nfs/dbraw/zinc/66/32/87/1075663287.db2.gz XMBCPTMNKNVWPX-SJORKVTESA-N 2 1 411.547 0.208 20 0 HCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000540412847 1075663279 /nfs/dbraw/zinc/66/32/79/1075663279.db2.gz XMBCPTMNKNVWPX-SJORKVTESA-N 2 1 411.547 0.208 20 0 HCADMP CC(C)[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000540458307 1075679226 /nfs/dbraw/zinc/67/92/26/1075679226.db2.gz NSMFIJKOOZVKCI-FQEVSTJZSA-N 2 1 424.586 0.611 20 0 HCADMP CC(C)[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000540458308 1075679202 /nfs/dbraw/zinc/67/92/02/1075679202.db2.gz NSMFIJKOOZVKCI-HXUWFJFHSA-N 2 1 424.586 0.611 20 0 HCADMP C[NH+]1CC=C(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000540562731 1075717139 /nfs/dbraw/zinc/71/71/39/1075717139.db2.gz DKXLMBKCNHPGFB-UHFFFAOYSA-N 2 1 413.522 0.781 20 0 HCADMP C[NH+]1CC=C(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000540562731 1075717133 /nfs/dbraw/zinc/71/71/33/1075717133.db2.gz DKXLMBKCNHPGFB-UHFFFAOYSA-N 2 1 413.522 0.781 20 0 HCADMP C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)CC1 ZINC000540562731 1075717130 /nfs/dbraw/zinc/71/71/30/1075717130.db2.gz DKXLMBKCNHPGFB-UHFFFAOYSA-N 2 1 413.522 0.781 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540986678 1075819805 /nfs/dbraw/zinc/81/98/05/1075819805.db2.gz BHEWBLQVNCWNLB-MOPGFXCFSA-N 2 1 403.527 0.392 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540986683 1075819850 /nfs/dbraw/zinc/81/98/50/1075819850.db2.gz BHEWBLQVNCWNLB-OALUTQOASA-N 2 1 403.527 0.392 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540986684 1075819834 /nfs/dbraw/zinc/81/98/34/1075819834.db2.gz BHEWBLQVNCWNLB-RBUKOAKNSA-N 2 1 403.527 0.392 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540986685 1075819758 /nfs/dbraw/zinc/81/97/58/1075819758.db2.gz BHEWBLQVNCWNLB-RTBURBONSA-N 2 1 403.527 0.392 20 0 HCADMP CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000542592637 1078096901 /nfs/dbraw/zinc/09/69/01/1078096901.db2.gz DBLRLHHUHZRTRR-NRFANRHFSA-N 2 1 415.582 0.939 20 0 HCADMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000542592640 1078101262 /nfs/dbraw/zinc/10/12/62/1078101262.db2.gz DBLRLHHUHZRTRR-OAQYLSRUSA-N 2 1 415.582 0.939 20 0 HCADMP C[C@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)N1CCCCC1 ZINC000542593141 1078099952 /nfs/dbraw/zinc/09/99/52/1078099952.db2.gz ORBNCUCWLWDNLT-IBGZPJMESA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)N1CCCCC1 ZINC000542593143 1078099813 /nfs/dbraw/zinc/09/98/13/1078099813.db2.gz ORBNCUCWLWDNLT-LJQANCHMSA-N 2 1 407.603 0.853 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000542755105 1080270483 /nfs/dbraw/zinc/27/04/83/1080270483.db2.gz OHCMERDPICNKPL-IBGZPJMESA-N 2 1 422.618 0.633 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000542755111 1080270501 /nfs/dbraw/zinc/27/05/01/1080270501.db2.gz OHCMERDPICNKPL-LJQANCHMSA-N 2 1 422.618 0.633 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000542844796 1080353515 /nfs/dbraw/zinc/35/35/15/1080353515.db2.gz WQAIXFGSUZFMLZ-IBGZPJMESA-N 2 1 403.527 0.263 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000542844796 1080353510 /nfs/dbraw/zinc/35/35/10/1080353510.db2.gz WQAIXFGSUZFMLZ-IBGZPJMESA-N 2 1 403.527 0.263 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000542844802 1080354217 /nfs/dbraw/zinc/35/42/17/1080354217.db2.gz WQAIXFGSUZFMLZ-LJQANCHMSA-N 2 1 403.527 0.263 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000542844802 1080354211 /nfs/dbraw/zinc/35/42/11/1080354211.db2.gz WQAIXFGSUZFMLZ-LJQANCHMSA-N 2 1 403.527 0.263 20 0 HCADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850491 1080356642 /nfs/dbraw/zinc/35/66/42/1080356642.db2.gz PITRBRWFFAXPEL-GHTZIAJQSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850491 1080356633 /nfs/dbraw/zinc/35/66/33/1080356633.db2.gz PITRBRWFFAXPEL-GHTZIAJQSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850491 1080356628 /nfs/dbraw/zinc/35/66/28/1080356628.db2.gz PITRBRWFFAXPEL-GHTZIAJQSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850492 1080356774 /nfs/dbraw/zinc/35/67/74/1080356774.db2.gz PITRBRWFFAXPEL-NQIIRXRSSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850492 1080356768 /nfs/dbraw/zinc/35/67/68/1080356768.db2.gz PITRBRWFFAXPEL-NQIIRXRSSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850492 1080356765 /nfs/dbraw/zinc/35/67/65/1080356765.db2.gz PITRBRWFFAXPEL-NQIIRXRSSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850493 1080356945 /nfs/dbraw/zinc/35/69/45/1080356945.db2.gz PITRBRWFFAXPEL-RXVVDRJESA-N 2 1 403.571 0.936 20 0 HCADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850493 1080356938 /nfs/dbraw/zinc/35/69/38/1080356938.db2.gz PITRBRWFFAXPEL-RXVVDRJESA-N 2 1 403.571 0.936 20 0 HCADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850493 1080356934 /nfs/dbraw/zinc/35/69/34/1080356934.db2.gz PITRBRWFFAXPEL-RXVVDRJESA-N 2 1 403.571 0.936 20 0 HCADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850494 1080356894 /nfs/dbraw/zinc/35/68/94/1080356894.db2.gz PITRBRWFFAXPEL-WIYYLYMNSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000542850494 1080356890 /nfs/dbraw/zinc/35/68/90/1080356890.db2.gz PITRBRWFFAXPEL-WIYYLYMNSA-N 2 1 403.571 0.936 20 0 HCADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850494 1080356887 /nfs/dbraw/zinc/35/68/87/1080356887.db2.gz PITRBRWFFAXPEL-WIYYLYMNSA-N 2 1 403.571 0.936 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000542852065 1080358262 /nfs/dbraw/zinc/35/82/62/1080358262.db2.gz PJRAQBKLWJSUAG-FQEVSTJZSA-N 2 1 417.554 0.559 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000542852065 1080358258 /nfs/dbraw/zinc/35/82/58/1080358258.db2.gz PJRAQBKLWJSUAG-FQEVSTJZSA-N 2 1 417.554 0.559 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000542852066 1080358337 /nfs/dbraw/zinc/35/83/37/1080358337.db2.gz PJRAQBKLWJSUAG-HXUWFJFHSA-N 2 1 417.554 0.559 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000542852066 1080358334 /nfs/dbraw/zinc/35/83/34/1080358334.db2.gz PJRAQBKLWJSUAG-HXUWFJFHSA-N 2 1 417.554 0.559 20 0 HCADMP CS[C@@H]1C[N@H+](CC2(CN3C[C@@H]([NH+](C)C)[C@@H](SC)C3)COC2)C[C@@H]1N(C)C ZINC000542970875 1080592089 /nfs/dbraw/zinc/59/20/89/1080592089.db2.gz NZOZANJVMAIZNR-FZDBZEDMSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@@H+](CC2(CN3C[C@@H]([NH+](C)C)[C@@H](SC)C3)COC2)C[C@@H]1N(C)C ZINC000542970875 1080592081 /nfs/dbraw/zinc/59/20/81/1080592081.db2.gz NZOZANJVMAIZNR-FZDBZEDMSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1CN(CC2(C[N@@H+]3C[C@@H](N(C)C)[C@@H](SC)C3)COC2)C[C@@H]1[NH+](C)C ZINC000542970875 1080592079 /nfs/dbraw/zinc/59/20/79/1080592079.db2.gz NZOZANJVMAIZNR-FZDBZEDMSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@H+](CC2(CN3C[C@@H]([NH+](C)C)[C@@H](SC)C3)COC2)C[C@H]1N(C)C ZINC000542970876 1080592157 /nfs/dbraw/zinc/59/21/57/1080592157.db2.gz NZOZANJVMAIZNR-TVFCKZIOSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@@H+](CC2(CN3C[C@@H]([NH+](C)C)[C@@H](SC)C3)COC2)C[C@H]1N(C)C ZINC000542970876 1080592151 /nfs/dbraw/zinc/59/21/51/1080592151.db2.gz NZOZANJVMAIZNR-TVFCKZIOSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1CN(CC2(C[N@@H+]3C[C@@H](N(C)C)[C@@H](SC)C3)COC2)C[C@H]1[NH+](C)C ZINC000542970876 1080592146 /nfs/dbraw/zinc/59/21/46/1080592146.db2.gz NZOZANJVMAIZNR-TVFCKZIOSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@H+](CC2(CN3C[C@H](SC)[C@@H]([NH+](C)C)C3)COC2)C[C@H]1N(C)C ZINC000542970877 1080592261 /nfs/dbraw/zinc/59/22/61/1080592261.db2.gz NZOZANJVMAIZNR-USTZCAOPSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@@H+](CC2(CN3C[C@H](SC)[C@@H]([NH+](C)C)C3)COC2)C[C@H]1N(C)C ZINC000542970877 1080592253 /nfs/dbraw/zinc/59/22/53/1080592253.db2.gz NZOZANJVMAIZNR-USTZCAOPSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1CN(CC2(C[N@H+]3C[C@H](SC)[C@@H](N(C)C)C3)COC2)C[C@H]1[NH+](C)C ZINC000542970877 1080592248 /nfs/dbraw/zinc/59/22/48/1080592248.db2.gz NZOZANJVMAIZNR-USTZCAOPSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@H+](CC2(CN3C[C@H](SC)[C@@H]([NH+](C)C)C3)COC2)C[C@@H]1N(C)C ZINC000542970878 1080592061 /nfs/dbraw/zinc/59/20/61/1080592061.db2.gz NZOZANJVMAIZNR-XLAORIBOSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1C[N@@H+](CC2(CN3C[C@H](SC)[C@@H]([NH+](C)C)C3)COC2)C[C@@H]1N(C)C ZINC000542970878 1080592052 /nfs/dbraw/zinc/59/20/52/1080592052.db2.gz NZOZANJVMAIZNR-XLAORIBOSA-N 2 1 402.674 0.958 20 0 HCADMP CS[C@@H]1CN(CC2(C[N@H+]3C[C@H](SC)[C@@H](N(C)C)C3)COC2)C[C@@H]1[NH+](C)C ZINC000542970878 1080592049 /nfs/dbraw/zinc/59/20/49/1080592049.db2.gz NZOZANJVMAIZNR-XLAORIBOSA-N 2 1 402.674 0.958 20 0 HCADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297113 1081097907 /nfs/dbraw/zinc/09/79/07/1081097907.db2.gz LAEQZWMJSBCQNJ-FQEVSTJZSA-N 2 1 402.539 0.979 20 0 HCADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297116 1081097794 /nfs/dbraw/zinc/09/77/94/1081097794.db2.gz LAEQZWMJSBCQNJ-HXUWFJFHSA-N 2 1 402.539 0.979 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000543459982 1081236986 /nfs/dbraw/zinc/23/69/86/1081236986.db2.gz ILYLTQVBCFAVDU-AOIWGVFYSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000543459982 1081236962 /nfs/dbraw/zinc/23/69/62/1081236962.db2.gz ILYLTQVBCFAVDU-AOIWGVFYSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000543459984 1081236760 /nfs/dbraw/zinc/23/67/60/1081236760.db2.gz ILYLTQVBCFAVDU-LMMKCTJWSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000543459984 1081236744 /nfs/dbraw/zinc/23/67/44/1081236744.db2.gz ILYLTQVBCFAVDU-LMMKCTJWSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000543459987 1081236597 /nfs/dbraw/zinc/23/65/97/1081236597.db2.gz ILYLTQVBCFAVDU-ZHALLVOQSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000543459987 1081236583 /nfs/dbraw/zinc/23/65/83/1081236583.db2.gz ILYLTQVBCFAVDU-ZHALLVOQSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000543459989 1081236691 /nfs/dbraw/zinc/23/66/91/1081236691.db2.gz ILYLTQVBCFAVDU-ZIFCJYIRSA-N 2 1 415.600 0.891 20 0 HCADMP COCCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000543459989 1081236678 /nfs/dbraw/zinc/23/66/78/1081236678.db2.gz ILYLTQVBCFAVDU-ZIFCJYIRSA-N 2 1 415.600 0.891 20 0 HCADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NCC(C)(C)N3CCOCC3)CC2)CC1 ZINC000544487036 1075843921 /nfs/dbraw/zinc/84/39/21/1075843921.db2.gz ALGWUDGMGFMVSM-UHFFFAOYSA-N 2 1 409.619 0.563 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)cn2)CC1 ZINC000556052130 1078395549 /nfs/dbraw/zinc/39/55/49/1078395549.db2.gz DZZBDRFFCVBQJW-UHFFFAOYSA-N 2 1 402.543 0.392 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[N@@H+](CC)CC3)cn2)CC1 ZINC000556052356 1078395624 /nfs/dbraw/zinc/39/56/24/1078395624.db2.gz GROQBYKREKIBIQ-UHFFFAOYSA-N 2 1 402.543 0.394 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cn2)CC1 ZINC000556053250 1078396718 /nfs/dbraw/zinc/39/67/18/1078396718.db2.gz OUTYZVQTDMYCJB-UHFFFAOYSA-N 2 1 414.554 0.536 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)cn2)CC1 ZINC000556055423 1078397588 /nfs/dbraw/zinc/39/75/88/1078397588.db2.gz WJTZZBDUPJARJW-IBGZPJMESA-N 2 1 416.570 0.638 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)cn2)CC1 ZINC000556055423 1078397586 /nfs/dbraw/zinc/39/75/86/1078397586.db2.gz WJTZZBDUPJARJW-IBGZPJMESA-N 2 1 416.570 0.638 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)cn2)CC1 ZINC000556055425 1078397555 /nfs/dbraw/zinc/39/75/55/1078397555.db2.gz WJTZZBDUPJARJW-LJQANCHMSA-N 2 1 416.570 0.638 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)cn2)CC1 ZINC000556055425 1078397552 /nfs/dbraw/zinc/39/75/52/1078397552.db2.gz WJTZZBDUPJARJW-LJQANCHMSA-N 2 1 416.570 0.638 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCn3cc[nH+]c3C)cn2)CC1 ZINC000556055431 1078397520 /nfs/dbraw/zinc/39/75/20/1078397520.db2.gz RPZHLYLMGAEBIB-UHFFFAOYSA-N 2 1 413.526 0.551 20 0 HCADMP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000556058838 1078399077 /nfs/dbraw/zinc/39/90/77/1078399077.db2.gz FGLIZRJLZSGXGM-IBGZPJMESA-N 2 1 423.602 0.528 20 0 HCADMP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000556058839 1078399005 /nfs/dbraw/zinc/39/90/05/1078399005.db2.gz FGLIZRJLZSGXGM-LJQANCHMSA-N 2 1 423.602 0.528 20 0 HCADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556060330 1078403374 /nfs/dbraw/zinc/40/33/74/1078403374.db2.gz DISYCADVWYORHO-IBGZPJMESA-N 2 1 415.538 0.343 20 0 HCADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556060331 1078403510 /nfs/dbraw/zinc/40/35/10/1078403510.db2.gz DISYCADVWYORHO-LJQANCHMSA-N 2 1 415.538 0.343 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000556064932 1078404696 /nfs/dbraw/zinc/40/46/96/1078404696.db2.gz RZVSFLSYHJUKHC-BGYRXZFFSA-N 2 1 407.603 0.852 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000556066980 1078400478 /nfs/dbraw/zinc/40/04/78/1078400478.db2.gz VCZAMZSTVCSOHV-DLBZAZTESA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000556066980 1078400474 /nfs/dbraw/zinc/40/04/74/1078400474.db2.gz VCZAMZSTVCSOHV-DLBZAZTESA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000556066981 1078400365 /nfs/dbraw/zinc/40/03/65/1078400365.db2.gz VCZAMZSTVCSOHV-IAGOWNOFSA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000556066981 1078400357 /nfs/dbraw/zinc/40/03/57/1078400357.db2.gz VCZAMZSTVCSOHV-IAGOWNOFSA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000556066982 1078400428 /nfs/dbraw/zinc/40/04/28/1078400428.db2.gz VCZAMZSTVCSOHV-IRXDYDNUSA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000556066982 1078400425 /nfs/dbraw/zinc/40/04/25/1078400425.db2.gz VCZAMZSTVCSOHV-IRXDYDNUSA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000556066983 1078400514 /nfs/dbraw/zinc/40/05/14/1078400514.db2.gz VCZAMZSTVCSOHV-SJORKVTESA-N 2 1 423.583 0.526 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000556066983 1078400513 /nfs/dbraw/zinc/40/05/13/1078400513.db2.gz VCZAMZSTVCSOHV-SJORKVTESA-N 2 1 423.583 0.526 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000556070620 1078405831 /nfs/dbraw/zinc/40/58/31/1078405831.db2.gz KNFYFDVMEJNQQT-GOSISDBHSA-N 2 1 407.534 0.687 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000556070625 1078405866 /nfs/dbraw/zinc/40/58/66/1078405866.db2.gz KNFYFDVMEJNQQT-SFHVURJKSA-N 2 1 407.534 0.687 20 0 HCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556071499 1078407344 /nfs/dbraw/zinc/40/73/44/1078407344.db2.gz ADAQVVYJDJLBRM-UHFFFAOYSA-N 2 1 420.558 0.441 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)cn2)CC1 ZINC000556076029 1078411327 /nfs/dbraw/zinc/41/13/27/1078411327.db2.gz LWRKIZDIMPOMLK-UHFFFAOYSA-N 2 1 414.554 0.394 20 0 HCADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1CC(C)(C)O ZINC000556076388 1078411947 /nfs/dbraw/zinc/41/19/47/1078411947.db2.gz QVQLSTZXOSKWLZ-KRWDZBQOSA-N 2 1 417.554 0.466 20 0 HCADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000556076388 1078411944 /nfs/dbraw/zinc/41/19/44/1078411944.db2.gz QVQLSTZXOSKWLZ-KRWDZBQOSA-N 2 1 417.554 0.466 20 0 HCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1CC(C)(C)O ZINC000556076389 1078412013 /nfs/dbraw/zinc/41/20/13/1078412013.db2.gz QVQLSTZXOSKWLZ-QGZVFWFLSA-N 2 1 417.554 0.466 20 0 HCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000556076389 1078412009 /nfs/dbraw/zinc/41/20/09/1078412009.db2.gz QVQLSTZXOSKWLZ-QGZVFWFLSA-N 2 1 417.554 0.466 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556078374 1078413532 /nfs/dbraw/zinc/41/35/32/1078413532.db2.gz SXSMPXWKQZHELY-HDICACEKSA-N 2 1 409.575 0.141 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556078374 1078413529 /nfs/dbraw/zinc/41/35/29/1078413529.db2.gz SXSMPXWKQZHELY-HDICACEKSA-N 2 1 409.575 0.141 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556078377 1078413868 /nfs/dbraw/zinc/41/38/68/1078413868.db2.gz SXSMPXWKQZHELY-QZTJIDSGSA-N 2 1 409.575 0.141 20 0 HCADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556078379 1078413879 /nfs/dbraw/zinc/41/38/79/1078413879.db2.gz SXSMPXWKQZHELY-ROUUACIJSA-N 2 1 409.575 0.141 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000556084082 1078424464 /nfs/dbraw/zinc/42/44/64/1078424464.db2.gz HTWKPUPUNFQXAN-UHFFFAOYSA-N 2 1 409.575 0.380 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556084082 1078424461 /nfs/dbraw/zinc/42/44/61/1078424461.db2.gz HTWKPUPUNFQXAN-UHFFFAOYSA-N 2 1 409.575 0.380 20 0 HCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000556087052 1078416645 /nfs/dbraw/zinc/41/66/45/1078416645.db2.gz JRELUJMJACVWER-UHFFFAOYSA-N 2 1 423.517 0.913 20 0 HCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000556087052 1078416639 /nfs/dbraw/zinc/41/66/39/1078416639.db2.gz JRELUJMJACVWER-UHFFFAOYSA-N 2 1 423.517 0.913 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000556089263 1078430182 /nfs/dbraw/zinc/43/01/82/1078430182.db2.gz XCKRTMZYZDPUSK-UHFFFAOYSA-N 2 1 409.575 0.426 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556089263 1078430178 /nfs/dbraw/zinc/43/01/78/1078430178.db2.gz XCKRTMZYZDPUSK-UHFFFAOYSA-N 2 1 409.575 0.426 20 0 HCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000556093146 1078425880 /nfs/dbraw/zinc/42/58/80/1078425880.db2.gz BLARKXUQFFIVEO-UHFFFAOYSA-N 2 1 417.554 0.166 20 0 HCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097707 1078430990 /nfs/dbraw/zinc/43/09/90/1078430990.db2.gz BVYKJNHAXWBXLL-MOPGFXCFSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097707 1078430989 /nfs/dbraw/zinc/43/09/89/1078430989.db2.gz BVYKJNHAXWBXLL-MOPGFXCFSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097708 1078431393 /nfs/dbraw/zinc/43/13/93/1078431393.db2.gz BVYKJNHAXWBXLL-OALUTQOASA-N 2 1 421.586 0.380 20 0 HCADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097708 1078431390 /nfs/dbraw/zinc/43/13/90/1078431390.db2.gz BVYKJNHAXWBXLL-OALUTQOASA-N 2 1 421.586 0.380 20 0 HCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097709 1078431358 /nfs/dbraw/zinc/43/13/58/1078431358.db2.gz BVYKJNHAXWBXLL-RBUKOAKNSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097709 1078431357 /nfs/dbraw/zinc/43/13/57/1078431357.db2.gz BVYKJNHAXWBXLL-RBUKOAKNSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097710 1078431365 /nfs/dbraw/zinc/43/13/65/1078431365.db2.gz BVYKJNHAXWBXLL-RTBURBONSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556097710 1078431363 /nfs/dbraw/zinc/43/13/63/1078431363.db2.gz BVYKJNHAXWBXLL-RTBURBONSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100301 1078434076 /nfs/dbraw/zinc/43/40/76/1078434076.db2.gz CWYYTAUUMIUTQL-HOJAQTOUSA-N 2 1 401.555 0.690 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100306 1078434063 /nfs/dbraw/zinc/43/40/63/1078434063.db2.gz CWYYTAUUMIUTQL-MISYRCLQSA-N 2 1 401.555 0.690 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100308 1078434055 /nfs/dbraw/zinc/43/40/55/1078434055.db2.gz CWYYTAUUMIUTQL-RLLQIKCJSA-N 2 1 401.555 0.690 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100310 1078433948 /nfs/dbraw/zinc/43/39/48/1078433948.db2.gz CWYYTAUUMIUTQL-YZGWKJHDSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000556100601 1078433545 /nfs/dbraw/zinc/43/35/45/1078433545.db2.gz LEMQQUXOBOJOGF-IBGZPJMESA-N 2 1 421.586 0.381 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000556100603 1078433502 /nfs/dbraw/zinc/43/35/02/1078433502.db2.gz LEMQQUXOBOJOGF-LJQANCHMSA-N 2 1 421.586 0.381 20 0 HCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100799 1078433466 /nfs/dbraw/zinc/43/34/66/1078433466.db2.gz IXKSVHVFTJJKTJ-CTNGQTDRSA-N 2 1 415.582 0.892 20 0 HCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100800 1078433603 /nfs/dbraw/zinc/43/36/03/1078433603.db2.gz IXKSVHVFTJJKTJ-FPOVZHCZSA-N 2 1 415.582 0.892 20 0 HCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100801 1078433485 /nfs/dbraw/zinc/43/34/85/1078433485.db2.gz IXKSVHVFTJJKTJ-PZJWPPBQSA-N 2 1 415.582 0.892 20 0 HCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100802 1078433461 /nfs/dbraw/zinc/43/34/61/1078433461.db2.gz IXKSVHVFTJJKTJ-TZIWHRDSSA-N 2 1 415.582 0.892 20 0 HCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000556100907 1078434411 /nfs/dbraw/zinc/43/44/11/1078434411.db2.gz KFBWUWALXQADNG-IBGZPJMESA-N 2 1 421.586 0.237 20 0 HCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000556100909 1078434899 /nfs/dbraw/zinc/43/48/99/1078434899.db2.gz KFBWUWALXQADNG-LJQANCHMSA-N 2 1 421.586 0.237 20 0 HCADMP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100970 1078434965 /nfs/dbraw/zinc/43/49/65/1078434965.db2.gz PNEGUYOXOBGTJN-GHTZIAJQSA-N 2 1 413.566 0.692 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100972 1078434846 /nfs/dbraw/zinc/43/48/46/1078434846.db2.gz PNEGUYOXOBGTJN-NQIIRXRSSA-N 2 1 413.566 0.692 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100974 1078434907 /nfs/dbraw/zinc/43/49/07/1078434907.db2.gz PNEGUYOXOBGTJN-RXVVDRJESA-N 2 1 413.566 0.692 20 0 HCADMP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100976 1078434887 /nfs/dbraw/zinc/43/48/87/1078434887.db2.gz PNEGUYOXOBGTJN-WIYYLYMNSA-N 2 1 413.566 0.692 20 0 HCADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556101041 1078434441 /nfs/dbraw/zinc/43/44/41/1078434441.db2.gz QODDSAZMWGBSRZ-KRWDZBQOSA-N 2 1 417.554 0.512 20 0 HCADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556101042 1078434503 /nfs/dbraw/zinc/43/45/03/1078434503.db2.gz QODDSAZMWGBSRZ-QGZVFWFLSA-N 2 1 417.554 0.512 20 0 HCADMP CN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000556101772 1078435348 /nfs/dbraw/zinc/43/53/48/1078435348.db2.gz XLNIISHOZFFOLR-LEWJYISDSA-N 2 1 413.566 0.786 20 0 HCADMP CN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556101773 1078435439 /nfs/dbraw/zinc/43/54/39/1078435439.db2.gz XLNIISHOZFFOLR-NHCUHLMSSA-N 2 1 413.566 0.786 20 0 HCADMP CN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556101774 1078435502 /nfs/dbraw/zinc/43/55/02/1078435502.db2.gz XLNIISHOZFFOLR-RTWAWAEBSA-N 2 1 413.566 0.786 20 0 HCADMP CN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000556101775 1078435255 /nfs/dbraw/zinc/43/52/55/1078435255.db2.gz XLNIISHOZFFOLR-SFTDATJTSA-N 2 1 413.566 0.786 20 0 HCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556101819 1078435383 /nfs/dbraw/zinc/43/53/83/1078435383.db2.gz YNDIJLOIMUUSMS-UHFFFAOYSA-N 2 1 409.575 0.237 20 0 HCADMP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556101819 1078435380 /nfs/dbraw/zinc/43/53/80/1078435380.db2.gz YNDIJLOIMUUSMS-UHFFFAOYSA-N 2 1 409.575 0.237 20 0 HCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556107801 1078440125 /nfs/dbraw/zinc/44/01/25/1078440125.db2.gz ICIUOMAZVDNWSO-GOSISDBHSA-N 2 1 421.586 0.380 20 0 HCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556107802 1078440061 /nfs/dbraw/zinc/44/00/61/1078440061.db2.gz ICIUOMAZVDNWSO-SFHVURJKSA-N 2 1 421.586 0.380 20 0 HCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556114848 1078438182 /nfs/dbraw/zinc/43/81/82/1078438182.db2.gz MHQINJSMFQWVLP-UHFFFAOYSA-N 2 1 401.555 0.868 20 0 HCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556117100 1078451788 /nfs/dbraw/zinc/45/17/88/1078451788.db2.gz KSRWXUNQANPBQU-IBGZPJMESA-N 2 1 401.555 0.868 20 0 HCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556117101 1078451649 /nfs/dbraw/zinc/45/16/49/1078451649.db2.gz KSRWXUNQANPBQU-LJQANCHMSA-N 2 1 401.555 0.868 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000556121938 1078453676 /nfs/dbraw/zinc/45/36/76/1078453676.db2.gz PUMKVTMJQCTPEV-JSXRDJHFSA-N 2 1 421.630 0.955 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000556121939 1078453634 /nfs/dbraw/zinc/45/36/34/1078453634.db2.gz PUMKVTMJQCTPEV-MHTWAQMVSA-N 2 1 421.630 0.955 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000556121940 1078453658 /nfs/dbraw/zinc/45/36/58/1078453658.db2.gz PUMKVTMJQCTPEV-PLACYPQZSA-N 2 1 421.630 0.955 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000556121941 1078453701 /nfs/dbraw/zinc/45/37/01/1078453701.db2.gz PUMKVTMJQCTPEV-WOZUAGRISA-N 2 1 421.630 0.955 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556122199 1078448092 /nfs/dbraw/zinc/44/80/92/1078448092.db2.gz YIFXTWJOYFLZPO-HDICACEKSA-N 2 1 423.602 0.577 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556122199 1078448087 /nfs/dbraw/zinc/44/80/87/1078448087.db2.gz YIFXTWJOYFLZPO-HDICACEKSA-N 2 1 423.602 0.577 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556122200 1078448032 /nfs/dbraw/zinc/44/80/32/1078448032.db2.gz YIFXTWJOYFLZPO-QZTJIDSGSA-N 2 1 423.602 0.577 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000556122201 1078447940 /nfs/dbraw/zinc/44/79/40/1078447940.db2.gz YIFXTWJOYFLZPO-ROUUACIJSA-N 2 1 423.602 0.577 20 0 HCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC000556122290 1078448102 /nfs/dbraw/zinc/44/81/02/1078448102.db2.gz BAUPXQKQMJYLKL-FQEVSTJZSA-N 2 1 407.603 0.996 20 0 HCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC000556122291 1078447960 /nfs/dbraw/zinc/44/79/60/1078447960.db2.gz BAUPXQKQMJYLKL-HXUWFJFHSA-N 2 1 407.603 0.996 20 0 HCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000556122411 1078447746 /nfs/dbraw/zinc/44/77/46/1078447746.db2.gz FKIHRCDDMUEWRF-UHFFFAOYSA-N 2 1 416.566 0.856 20 0 HCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000556122411 1078447744 /nfs/dbraw/zinc/44/77/44/1078447744.db2.gz FKIHRCDDMUEWRF-UHFFFAOYSA-N 2 1 416.566 0.856 20 0 HCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000556122411 1078447743 /nfs/dbraw/zinc/44/77/43/1078447743.db2.gz FKIHRCDDMUEWRF-UHFFFAOYSA-N 2 1 416.566 0.856 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000556123464 1078448335 /nfs/dbraw/zinc/44/83/35/1078448335.db2.gz NXAODVUIFLRZNS-GOSISDBHSA-N 2 1 402.539 0.636 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000556123464 1078448333 /nfs/dbraw/zinc/44/83/33/1078448333.db2.gz NXAODVUIFLRZNS-GOSISDBHSA-N 2 1 402.539 0.636 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000556123470 1078448350 /nfs/dbraw/zinc/44/83/50/1078448350.db2.gz NXAODVUIFLRZNS-SFHVURJKSA-N 2 1 402.539 0.636 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000556123470 1078448349 /nfs/dbraw/zinc/44/83/49/1078448349.db2.gz NXAODVUIFLRZNS-SFHVURJKSA-N 2 1 402.539 0.636 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000556124351 1078448773 /nfs/dbraw/zinc/44/87/73/1078448773.db2.gz DLQKJRWVHAZYAH-UHFFFAOYSA-N 2 1 415.582 0.695 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000556124351 1078448770 /nfs/dbraw/zinc/44/87/70/1078448770.db2.gz DLQKJRWVHAZYAH-UHFFFAOYSA-N 2 1 415.582 0.695 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000556124351 1078448767 /nfs/dbraw/zinc/44/87/67/1078448767.db2.gz DLQKJRWVHAZYAH-UHFFFAOYSA-N 2 1 415.582 0.695 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000556124396 1078448785 /nfs/dbraw/zinc/44/87/85/1078448785.db2.gz FKOXZHHGFBSORB-UHFFFAOYSA-N 2 1 423.602 0.816 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000556124897 1078448679 /nfs/dbraw/zinc/44/86/79/1078448679.db2.gz KLSUJBGDLINJCI-UHFFFAOYSA-N 2 1 421.586 0.524 20 0 HCADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556125424 1078449214 /nfs/dbraw/zinc/44/92/14/1078449214.db2.gz SVGOSKJMWNWYFA-UHFFFAOYSA-N 2 1 414.550 0.874 20 0 HCADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556125424 1078449210 /nfs/dbraw/zinc/44/92/10/1078449210.db2.gz SVGOSKJMWNWYFA-UHFFFAOYSA-N 2 1 414.550 0.874 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000556142214 1078459698 /nfs/dbraw/zinc/45/96/98/1078459698.db2.gz YEYSPLBFXPQZED-UHFFFAOYSA-N 2 1 409.575 0.284 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556167753 1078471199 /nfs/dbraw/zinc/47/11/99/1078471199.db2.gz SVUCOZQTUUBNKF-NRFANRHFSA-N 2 1 415.582 0.911 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556167754 1078471137 /nfs/dbraw/zinc/47/11/37/1078471137.db2.gz SVUCOZQTUUBNKF-OAQYLSRUSA-N 2 1 415.582 0.911 20 0 HCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000556167913 1078470763 /nfs/dbraw/zinc/47/07/63/1078470763.db2.gz XUEAKVKFAZSBOZ-KRWDZBQOSA-N 2 1 409.575 0.426 20 0 HCADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000556167913 1078470756 /nfs/dbraw/zinc/47/07/56/1078470756.db2.gz XUEAKVKFAZSBOZ-KRWDZBQOSA-N 2 1 409.575 0.426 20 0 HCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000556167914 1078470713 /nfs/dbraw/zinc/47/07/13/1078470713.db2.gz XUEAKVKFAZSBOZ-QGZVFWFLSA-N 2 1 409.575 0.426 20 0 HCADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000556167914 1078470705 /nfs/dbraw/zinc/47/07/05/1078470705.db2.gz XUEAKVKFAZSBOZ-QGZVFWFLSA-N 2 1 409.575 0.426 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000556168303 1078473106 /nfs/dbraw/zinc/47/31/06/1078473106.db2.gz LDCYTHGGBAWDQD-FQEVSTJZSA-N 2 1 407.603 0.997 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000556168304 1078473074 /nfs/dbraw/zinc/47/30/74/1078473074.db2.gz LDCYTHGGBAWDQD-HXUWFJFHSA-N 2 1 407.603 0.997 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000556168452 1078472568 /nfs/dbraw/zinc/47/25/68/1078472568.db2.gz PHHAEETYLIMCSX-NRFANRHFSA-N 2 1 415.582 0.911 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000556168452 1078472562 /nfs/dbraw/zinc/47/25/62/1078472562.db2.gz PHHAEETYLIMCSX-NRFANRHFSA-N 2 1 415.582 0.911 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000556168452 1078472557 /nfs/dbraw/zinc/47/25/57/1078472557.db2.gz PHHAEETYLIMCSX-NRFANRHFSA-N 2 1 415.582 0.911 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000556168453 1078472454 /nfs/dbraw/zinc/47/24/54/1078472454.db2.gz PHHAEETYLIMCSX-OAQYLSRUSA-N 2 1 415.582 0.911 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000556168453 1078472449 /nfs/dbraw/zinc/47/24/49/1078472449.db2.gz PHHAEETYLIMCSX-OAQYLSRUSA-N 2 1 415.582 0.911 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000556168453 1078472444 /nfs/dbraw/zinc/47/24/44/1078472444.db2.gz PHHAEETYLIMCSX-OAQYLSRUSA-N 2 1 415.582 0.911 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000556170082 1078473043 /nfs/dbraw/zinc/47/30/43/1078473043.db2.gz GEKAICXSDSGKIS-IBGZPJMESA-N 2 1 421.586 0.381 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000556170083 1078472856 /nfs/dbraw/zinc/47/28/56/1078472856.db2.gz GEKAICXSDSGKIS-LJQANCHMSA-N 2 1 421.586 0.381 20 0 HCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170544 1078478012 /nfs/dbraw/zinc/47/80/12/1078478012.db2.gz MLRMJSZMGSHDMR-AZUAARDMSA-N 2 1 402.539 0.994 20 0 HCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170545 1078477877 /nfs/dbraw/zinc/47/78/77/1078477877.db2.gz MLRMJSZMGSHDMR-ICSRJNTNSA-N 2 1 402.539 0.994 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170546 1078477985 /nfs/dbraw/zinc/47/79/85/1078477985.db2.gz MLRMJSZMGSHDMR-QUCCMNQESA-N 2 1 402.539 0.994 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170547 1078478124 /nfs/dbraw/zinc/47/81/24/1078478124.db2.gz MLRMJSZMGSHDMR-UYAOXDASSA-N 2 1 402.539 0.994 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000556171404 1078479515 /nfs/dbraw/zinc/47/95/15/1078479515.db2.gz PPQXNDNWIYTLKZ-GOSISDBHSA-N 2 1 423.602 0.674 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000556171405 1078479324 /nfs/dbraw/zinc/47/93/24/1078479324.db2.gz PPQXNDNWIYTLKZ-SFHVURJKSA-N 2 1 423.602 0.674 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000556171711 1078479456 /nfs/dbraw/zinc/47/94/56/1078479456.db2.gz RMNQIUQRAZKUOP-UHFFFAOYSA-N 2 1 423.602 0.282 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000556174506 1078483344 /nfs/dbraw/zinc/48/33/44/1078483344.db2.gz MOWCIOZFLVYWNX-HDICACEKSA-N 2 1 423.602 0.530 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000556174506 1078483342 /nfs/dbraw/zinc/48/33/42/1078483342.db2.gz MOWCIOZFLVYWNX-HDICACEKSA-N 2 1 423.602 0.530 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000556174508 1078483350 /nfs/dbraw/zinc/48/33/50/1078483350.db2.gz MOWCIOZFLVYWNX-QZTJIDSGSA-N 2 1 423.602 0.530 20 0 HCADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000556174510 1078483275 /nfs/dbraw/zinc/48/32/75/1078483275.db2.gz MOWCIOZFLVYWNX-ROUUACIJSA-N 2 1 423.602 0.530 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000556175171 1078484632 /nfs/dbraw/zinc/48/46/32/1078484632.db2.gz LGYFXHNNZVCLPY-FQEVSTJZSA-N 2 1 407.603 0.997 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000556175172 1078484775 /nfs/dbraw/zinc/48/47/75/1078484775.db2.gz LGYFXHNNZVCLPY-HXUWFJFHSA-N 2 1 407.603 0.997 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000556182055 1078476790 /nfs/dbraw/zinc/47/67/90/1078476790.db2.gz HNDQPLWEIMHDCG-GOSISDBHSA-N 2 1 407.559 0.180 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000556182056 1078477485 /nfs/dbraw/zinc/47/74/85/1078477485.db2.gz HNDQPLWEIMHDCG-SFHVURJKSA-N 2 1 407.559 0.180 20 0 HCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556185253 1078488676 /nfs/dbraw/zinc/48/86/76/1078488676.db2.gz FAMKEPWFWIXHEB-UHFFFAOYSA-N 2 1 417.554 0.423 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186285 1078492737 /nfs/dbraw/zinc/49/27/37/1078492737.db2.gz ASSCPEVTTWLWNL-FGTMMUONSA-N 2 1 423.602 0.576 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186285 1078492721 /nfs/dbraw/zinc/49/27/21/1078492721.db2.gz ASSCPEVTTWLWNL-FGTMMUONSA-N 2 1 423.602 0.576 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186286 1078492393 /nfs/dbraw/zinc/49/23/93/1078492393.db2.gz ASSCPEVTTWLWNL-KSZLIROESA-N 2 1 423.602 0.576 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186286 1078492387 /nfs/dbraw/zinc/49/23/87/1078492387.db2.gz ASSCPEVTTWLWNL-KSZLIROESA-N 2 1 423.602 0.576 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556186287 1078492863 /nfs/dbraw/zinc/49/28/63/1078492863.db2.gz ASSCPEVTTWLWNL-KZNAEPCWSA-N 2 1 423.602 0.576 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000556186288 1078492641 /nfs/dbraw/zinc/49/26/41/1078492641.db2.gz ASSCPEVTTWLWNL-OKZBNKHCSA-N 2 1 423.602 0.576 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000556186482 1078491801 /nfs/dbraw/zinc/49/18/01/1078491801.db2.gz DOFMCLXYJLDNGE-UHFFFAOYSA-N 2 1 409.575 0.426 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000556186490 1078491360 /nfs/dbraw/zinc/49/13/60/1078491360.db2.gz FEVQGNWOMJPALV-KRWDZBQOSA-N 2 1 417.554 0.340 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000556186490 1078491346 /nfs/dbraw/zinc/49/13/46/1078491346.db2.gz FEVQGNWOMJPALV-KRWDZBQOSA-N 2 1 417.554 0.340 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000556186491 1078491881 /nfs/dbraw/zinc/49/18/81/1078491881.db2.gz FEVQGNWOMJPALV-QGZVFWFLSA-N 2 1 417.554 0.340 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000556186491 1078491871 /nfs/dbraw/zinc/49/18/71/1078491871.db2.gz FEVQGNWOMJPALV-QGZVFWFLSA-N 2 1 417.554 0.340 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000556186927 1078490444 /nfs/dbraw/zinc/49/04/44/1078490444.db2.gz QKHNVSYHJUHOAX-IBGZPJMESA-N 2 1 421.586 0.570 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000556186928 1078490819 /nfs/dbraw/zinc/49/08/19/1078490819.db2.gz QKHNVSYHJUHOAX-LJQANCHMSA-N 2 1 421.586 0.570 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000556187243 1078496853 /nfs/dbraw/zinc/49/68/53/1078496853.db2.gz VWRZXZRAAOCVMT-UHFFFAOYSA-N 2 1 417.554 0.470 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000556187243 1078496840 /nfs/dbraw/zinc/49/68/40/1078496840.db2.gz VWRZXZRAAOCVMT-UHFFFAOYSA-N 2 1 417.554 0.470 20 0 HCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000556187410 1078496566 /nfs/dbraw/zinc/49/65/66/1078496566.db2.gz YRCMPZHVJRBXBK-UHFFFAOYSA-N 2 1 403.527 0.081 20 0 HCADMP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000556187410 1078496551 /nfs/dbraw/zinc/49/65/51/1078496551.db2.gz YRCMPZHVJRBXBK-UHFFFAOYSA-N 2 1 403.527 0.081 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000556187459 1078495645 /nfs/dbraw/zinc/49/56/45/1078495645.db2.gz BDMDAMHNBKRAOP-UHFFFAOYSA-N 2 1 415.538 0.225 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000556187486 1078495746 /nfs/dbraw/zinc/49/57/46/1078495746.db2.gz CPBIMIAQMMMBTB-GOSISDBHSA-N 2 1 421.586 0.284 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000556187486 1078495736 /nfs/dbraw/zinc/49/57/36/1078495736.db2.gz CPBIMIAQMMMBTB-GOSISDBHSA-N 2 1 421.586 0.284 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000556187487 1078495913 /nfs/dbraw/zinc/49/59/13/1078495913.db2.gz CPBIMIAQMMMBTB-SFHVURJKSA-N 2 1 421.586 0.284 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000556187487 1078495905 /nfs/dbraw/zinc/49/59/05/1078495905.db2.gz CPBIMIAQMMMBTB-SFHVURJKSA-N 2 1 421.586 0.284 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000556187530 1078495588 /nfs/dbraw/zinc/49/55/88/1078495588.db2.gz FHGTUHMXFIQRHX-KRWDZBQOSA-N 2 1 409.575 0.474 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000556187531 1078495857 /nfs/dbraw/zinc/49/58/57/1078495857.db2.gz FHGTUHMXFIQRHX-QGZVFWFLSA-N 2 1 409.575 0.474 20 0 HCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000556187566 1078495683 /nfs/dbraw/zinc/49/56/83/1078495683.db2.gz GOYHYYRPMHZODP-IBGZPJMESA-N 2 1 417.554 0.512 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000556187567 1078495832 /nfs/dbraw/zinc/49/58/32/1078495832.db2.gz GOYHYYRPMHZODP-LJQANCHMSA-N 2 1 417.554 0.512 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000556187641 1078494937 /nfs/dbraw/zinc/49/49/37/1078494937.db2.gz JBPBPBHWKBILTQ-UHFFFAOYSA-N 2 1 415.538 0.225 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000556189155 1078498862 /nfs/dbraw/zinc/49/88/62/1078498862.db2.gz DMWJEOAQRGVLDA-AEFFLSMTSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000556189155 1078498855 /nfs/dbraw/zinc/49/88/55/1078498855.db2.gz DMWJEOAQRGVLDA-AEFFLSMTSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000556189157 1078498372 /nfs/dbraw/zinc/49/83/72/1078498372.db2.gz DMWJEOAQRGVLDA-FUHWJXTLSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000556189157 1078498362 /nfs/dbraw/zinc/49/83/62/1078498362.db2.gz DMWJEOAQRGVLDA-FUHWJXTLSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000556189159 1078498505 /nfs/dbraw/zinc/49/85/05/1078498505.db2.gz DMWJEOAQRGVLDA-SJLPKXTDSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000556189159 1078498502 /nfs/dbraw/zinc/49/85/02/1078498502.db2.gz DMWJEOAQRGVLDA-SJLPKXTDSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000556189161 1078498471 /nfs/dbraw/zinc/49/84/71/1078498471.db2.gz DMWJEOAQRGVLDA-WMZOPIPTSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000556189161 1078498460 /nfs/dbraw/zinc/49/84/60/1078498460.db2.gz DMWJEOAQRGVLDA-WMZOPIPTSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000556189178 1078498571 /nfs/dbraw/zinc/49/85/71/1078498571.db2.gz FDCGHAISBOPGQL-MOPGFXCFSA-N 2 1 421.586 0.567 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000556189178 1078498546 /nfs/dbraw/zinc/49/85/46/1078498546.db2.gz FDCGHAISBOPGQL-MOPGFXCFSA-N 2 1 421.586 0.567 20 0 HCADMP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000556189695 1078500464 /nfs/dbraw/zinc/50/04/64/1078500464.db2.gz IDUXJFFGHOXSHW-UHFFFAOYSA-N 2 1 417.554 0.471 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000556189776 1078499213 /nfs/dbraw/zinc/49/92/13/1078499213.db2.gz MSJDJNCVTCTOHG-INIZCTEOSA-N 2 1 409.575 0.282 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000556189777 1078499485 /nfs/dbraw/zinc/49/94/85/1078499485.db2.gz MSJDJNCVTCTOHG-MRXNPFEDSA-N 2 1 409.575 0.282 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000556190058 1078499741 /nfs/dbraw/zinc/49/97/41/1078499741.db2.gz NANDPGBLROOBBM-UHFFFAOYSA-N 2 1 421.586 0.472 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000556190570 1078501282 /nfs/dbraw/zinc/50/12/82/1078501282.db2.gz ULSVCIZCPPVBOQ-GOSISDBHSA-N 2 1 407.559 0.226 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000556190570 1078501273 /nfs/dbraw/zinc/50/12/73/1078501273.db2.gz ULSVCIZCPPVBOQ-GOSISDBHSA-N 2 1 407.559 0.226 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000556190571 1078501022 /nfs/dbraw/zinc/50/10/22/1078501022.db2.gz ULSVCIZCPPVBOQ-SFHVURJKSA-N 2 1 407.559 0.226 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000556190571 1078501014 /nfs/dbraw/zinc/50/10/14/1078501014.db2.gz ULSVCIZCPPVBOQ-SFHVURJKSA-N 2 1 407.559 0.226 20 0 HCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198536 1078502857 /nfs/dbraw/zinc/50/28/57/1078502857.db2.gz UUMKXWIHPAOFED-GOSISDBHSA-N 2 1 401.555 0.914 20 0 HCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198536 1078502837 /nfs/dbraw/zinc/50/28/37/1078502837.db2.gz UUMKXWIHPAOFED-GOSISDBHSA-N 2 1 401.555 0.914 20 0 HCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198537 1078502528 /nfs/dbraw/zinc/50/25/28/1078502528.db2.gz UUMKXWIHPAOFED-SFHVURJKSA-N 2 1 401.555 0.914 20 0 HCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198537 1078502513 /nfs/dbraw/zinc/50/25/13/1078502513.db2.gz UUMKXWIHPAOFED-SFHVURJKSA-N 2 1 401.555 0.914 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199365 1078524055 /nfs/dbraw/zinc/52/40/55/1078524055.db2.gz IUIZBQIMXVFUIK-AZUAARDMSA-N 2 1 401.555 0.866 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199366 1078524576 /nfs/dbraw/zinc/52/45/76/1078524576.db2.gz IUIZBQIMXVFUIK-ICSRJNTNSA-N 2 1 401.555 0.866 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199367 1078524860 /nfs/dbraw/zinc/52/48/60/1078524860.db2.gz IUIZBQIMXVFUIK-QUCCMNQESA-N 2 1 401.555 0.866 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199368 1078524539 /nfs/dbraw/zinc/52/45/39/1078524539.db2.gz IUIZBQIMXVFUIK-UYAOXDASSA-N 2 1 401.555 0.866 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199459 1078523388 /nfs/dbraw/zinc/52/33/88/1078523388.db2.gz LQOYBBUCBUTZAK-CEXWTWQISA-N 2 1 401.555 0.912 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199459 1078523371 /nfs/dbraw/zinc/52/33/71/1078523371.db2.gz LQOYBBUCBUTZAK-CEXWTWQISA-N 2 1 401.555 0.912 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199460 1078523053 /nfs/dbraw/zinc/52/30/53/1078523053.db2.gz LQOYBBUCBUTZAK-GUDVDZBRSA-N 2 1 401.555 0.912 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199460 1078523042 /nfs/dbraw/zinc/52/30/42/1078523042.db2.gz LQOYBBUCBUTZAK-GUDVDZBRSA-N 2 1 401.555 0.912 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199461 1078523949 /nfs/dbraw/zinc/52/39/49/1078523949.db2.gz LQOYBBUCBUTZAK-QRVBRYPASA-N 2 1 401.555 0.912 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199461 1078523941 /nfs/dbraw/zinc/52/39/41/1078523941.db2.gz LQOYBBUCBUTZAK-QRVBRYPASA-N 2 1 401.555 0.912 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199462 1078523796 /nfs/dbraw/zinc/52/37/96/1078523796.db2.gz LQOYBBUCBUTZAK-QYZOEREBSA-N 2 1 401.555 0.912 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556199462 1078523771 /nfs/dbraw/zinc/52/37/71/1078523771.db2.gz LQOYBBUCBUTZAK-QYZOEREBSA-N 2 1 401.555 0.912 20 0 HCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCOCC1 ZINC000556206165 1078519402 /nfs/dbraw/zinc/51/94/02/1078519402.db2.gz LIJPTEBTNKCPGI-FXAWDEMLSA-N 2 1 414.616 0.793 20 0 HCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCOCC1 ZINC000556206169 1078519551 /nfs/dbraw/zinc/51/95/51/1078519551.db2.gz LIJPTEBTNKCPGI-PXNSSMCTSA-N 2 1 414.616 0.793 20 0 HCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCOCC1 ZINC000556206171 1078519367 /nfs/dbraw/zinc/51/93/67/1078519367.db2.gz LIJPTEBTNKCPGI-XLIONFOSSA-N 2 1 414.616 0.793 20 0 HCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCOCC1 ZINC000556206174 1078519643 /nfs/dbraw/zinc/51/96/43/1078519643.db2.gz LIJPTEBTNKCPGI-YLJYHZDGSA-N 2 1 414.616 0.793 20 0 HCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCSC1 ZINC000556208678 1078532675 /nfs/dbraw/zinc/53/26/75/1078532675.db2.gz UYNRFIUNTPBRPS-FQEVSTJZSA-N 2 1 412.600 0.691 20 0 HCADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCSC1 ZINC000556208679 1078532944 /nfs/dbraw/zinc/53/29/44/1078532944.db2.gz UYNRFIUNTPBRPS-HXUWFJFHSA-N 2 1 412.600 0.691 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556239307 1078549322 /nfs/dbraw/zinc/54/93/22/1078549322.db2.gz BQBQSKCEDCTSEO-JXFKEZNVSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556239307 1078549318 /nfs/dbraw/zinc/54/93/18/1078549318.db2.gz BQBQSKCEDCTSEO-JXFKEZNVSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000556239307 1078549311 /nfs/dbraw/zinc/54/93/11/1078549311.db2.gz BQBQSKCEDCTSEO-JXFKEZNVSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556239314 1078549285 /nfs/dbraw/zinc/54/92/85/1078549285.db2.gz BQBQSKCEDCTSEO-OXJNMPFZSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556239314 1078549273 /nfs/dbraw/zinc/54/92/73/1078549273.db2.gz BQBQSKCEDCTSEO-OXJNMPFZSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000556239314 1078549264 /nfs/dbraw/zinc/54/92/64/1078549264.db2.gz BQBQSKCEDCTSEO-OXJNMPFZSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000556239319 1078549351 /nfs/dbraw/zinc/54/93/51/1078549351.db2.gz BQBQSKCEDCTSEO-OXQOHEQNSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556239319 1078549348 /nfs/dbraw/zinc/54/93/48/1078549348.db2.gz BQBQSKCEDCTSEO-OXQOHEQNSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000556239319 1078549344 /nfs/dbraw/zinc/54/93/44/1078549344.db2.gz BQBQSKCEDCTSEO-OXQOHEQNSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000556239324 1078549246 /nfs/dbraw/zinc/54/92/46/1078549246.db2.gz BQBQSKCEDCTSEO-UZLBHIALSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556239324 1078549235 /nfs/dbraw/zinc/54/92/35/1078549235.db2.gz BQBQSKCEDCTSEO-UZLBHIALSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000556239324 1078549225 /nfs/dbraw/zinc/54/92/25/1078549225.db2.gz BQBQSKCEDCTSEO-UZLBHIALSA-N 2 1 400.523 0.470 20 0 HCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244067 1078552610 /nfs/dbraw/zinc/55/26/10/1078552610.db2.gz WGQMQVCHBFMPFR-LMMKCTJWSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244068 1078552358 /nfs/dbraw/zinc/55/23/58/1078552358.db2.gz WGQMQVCHBFMPFR-SCTDSRPQSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244068 1078552351 /nfs/dbraw/zinc/55/23/51/1078552351.db2.gz WGQMQVCHBFMPFR-SCTDSRPQSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244068 1078552348 /nfs/dbraw/zinc/55/23/48/1078552348.db2.gz WGQMQVCHBFMPFR-SCTDSRPQSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244069 1078552493 /nfs/dbraw/zinc/55/24/93/1078552493.db2.gz WGQMQVCHBFMPFR-ZHALLVOQSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244070 1078552464 /nfs/dbraw/zinc/55/24/64/1078552464.db2.gz WGQMQVCHBFMPFR-ZIFCJYIRSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244070 1078552457 /nfs/dbraw/zinc/55/24/57/1078552457.db2.gz WGQMQVCHBFMPFR-ZIFCJYIRSA-N 2 1 406.571 0.935 20 0 HCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244070 1078552449 /nfs/dbraw/zinc/55/24/49/1078552449.db2.gz WGQMQVCHBFMPFR-ZIFCJYIRSA-N 2 1 406.571 0.935 20 0 HCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556250294 1078557256 /nfs/dbraw/zinc/55/72/56/1078557256.db2.gz WAUUBIYZDAJMPP-FQEVSTJZSA-N 2 1 405.587 0.606 20 0 HCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556250299 1078557180 /nfs/dbraw/zinc/55/71/80/1078557180.db2.gz WAUUBIYZDAJMPP-HXUWFJFHSA-N 2 1 405.587 0.606 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C[NH+]1CCOCC1 ZINC000556306695 1078604382 /nfs/dbraw/zinc/60/43/82/1078604382.db2.gz VZHYFGLEJUAAKK-KRWDZBQOSA-N 2 1 412.600 0.549 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C[NH+]1CCOCC1 ZINC000556306696 1078604372 /nfs/dbraw/zinc/60/43/72/1078604372.db2.gz VZHYFGLEJUAAKK-QGZVFWFLSA-N 2 1 412.600 0.549 20 0 HCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc2)CC1 ZINC000556314751 1078612846 /nfs/dbraw/zinc/61/28/46/1078612846.db2.gz PISGUZXHLBRKJW-KRWDZBQOSA-N 2 1 417.554 0.646 20 0 HCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000556314760 1078612901 /nfs/dbraw/zinc/61/29/01/1078612901.db2.gz PISGUZXHLBRKJW-QGZVFWFLSA-N 2 1 417.554 0.646 20 0 HCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347417 1078640074 /nfs/dbraw/zinc/64/00/74/1078640074.db2.gz IKUKOBPZSWJHMW-CTNGQTDRSA-N 2 1 415.582 0.767 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347424 1078640197 /nfs/dbraw/zinc/64/01/97/1078640197.db2.gz IKUKOBPZSWJHMW-FPOVZHCZSA-N 2 1 415.582 0.767 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347425 1078640106 /nfs/dbraw/zinc/64/01/06/1078640106.db2.gz IKUKOBPZSWJHMW-PZJWPPBQSA-N 2 1 415.582 0.767 20 0 HCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347426 1078640158 /nfs/dbraw/zinc/64/01/58/1078640158.db2.gz IKUKOBPZSWJHMW-TZIWHRDSSA-N 2 1 415.582 0.767 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000556348732 1078640797 /nfs/dbraw/zinc/64/07/97/1078640797.db2.gz SZEYAFVYDKEVCZ-IBGZPJMESA-N 2 1 423.602 0.137 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000556348733 1078640917 /nfs/dbraw/zinc/64/09/17/1078640917.db2.gz SZEYAFVYDKEVCZ-LJQANCHMSA-N 2 1 423.602 0.137 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)CN1CC[NH+](C)CC1 ZINC000556354905 1078652403 /nfs/dbraw/zinc/65/24/03/1078652403.db2.gz MVHMAGLOUCJFDY-GOSISDBHSA-N 2 1 403.571 0.407 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)CN1CC[NH+](C)CC1 ZINC000556354906 1078652478 /nfs/dbraw/zinc/65/24/78/1078652478.db2.gz MVHMAGLOUCJFDY-SFHVURJKSA-N 2 1 403.571 0.407 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556355952 1078654428 /nfs/dbraw/zinc/65/44/28/1078654428.db2.gz HRLSOUQCQFTIPD-CEXWTWQISA-N 2 1 409.619 0.859 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556355952 1078654421 /nfs/dbraw/zinc/65/44/21/1078654421.db2.gz HRLSOUQCQFTIPD-CEXWTWQISA-N 2 1 409.619 0.859 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556355952 1078654415 /nfs/dbraw/zinc/65/44/15/1078654415.db2.gz HRLSOUQCQFTIPD-CEXWTWQISA-N 2 1 409.619 0.859 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556355954 1078643900 /nfs/dbraw/zinc/64/39/00/1078643900.db2.gz HRLSOUQCQFTIPD-GBESFXJTSA-N 2 1 409.619 0.859 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556355955 1078643726 /nfs/dbraw/zinc/64/37/26/1078643726.db2.gz HRLSOUQCQFTIPD-GUDVDZBRSA-N 2 1 409.619 0.859 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556355957 1078643749 /nfs/dbraw/zinc/64/37/49/1078643749.db2.gz HRLSOUQCQFTIPD-OTWHNJEPSA-N 2 1 409.619 0.859 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556355957 1078643744 /nfs/dbraw/zinc/64/37/44/1078643744.db2.gz HRLSOUQCQFTIPD-OTWHNJEPSA-N 2 1 409.619 0.859 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556355957 1078643739 /nfs/dbraw/zinc/64/37/39/1078643739.db2.gz HRLSOUQCQFTIPD-OTWHNJEPSA-N 2 1 409.619 0.859 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356459 1078645058 /nfs/dbraw/zinc/64/50/58/1078645058.db2.gz YLRLOMSADQRVNU-DYXWJJEUSA-N 2 1 415.582 0.938 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356460 1078645096 /nfs/dbraw/zinc/64/50/96/1078645096.db2.gz YLRLOMSADQRVNU-SBHAEUEKSA-N 2 1 415.582 0.938 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356461 1078645048 /nfs/dbraw/zinc/64/50/48/1078645048.db2.gz YLRLOMSADQRVNU-SFHLNBCPSA-N 2 1 415.582 0.938 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356462 1078644982 /nfs/dbraw/zinc/64/49/82/1078644982.db2.gz YLRLOMSADQRVNU-SVFBPWRDSA-N 2 1 415.582 0.938 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000556356847 1078646182 /nfs/dbraw/zinc/64/61/82/1078646182.db2.gz WKJXMDMQDNNJIN-IBGZPJMESA-N 2 1 407.603 0.711 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000556356848 1078646044 /nfs/dbraw/zinc/64/60/44/1078646044.db2.gz WKJXMDMQDNNJIN-LJQANCHMSA-N 2 1 407.603 0.711 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000556362659 1078660854 /nfs/dbraw/zinc/66/08/54/1078660854.db2.gz QAHCKTAHMYOUSB-PMACEKPBSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000556362673 1078660955 /nfs/dbraw/zinc/66/09/55/1078660955.db2.gz QAHCKTAHMYOUSB-UXHICEINSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000556362674 1078660976 /nfs/dbraw/zinc/66/09/76/1078660976.db2.gz QAHCKTAHMYOUSB-VQTJNVASSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000556362675 1078660830 /nfs/dbraw/zinc/66/08/30/1078660830.db2.gz QAHCKTAHMYOUSB-WOJBJXKFSA-N 2 1 405.587 0.746 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365258 1078664618 /nfs/dbraw/zinc/66/46/18/1078664618.db2.gz SKRMOVQEZPQYPJ-MOPGFXCFSA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365262 1078664151 /nfs/dbraw/zinc/66/41/51/1078664151.db2.gz SKRMOVQEZPQYPJ-OALUTQOASA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365263 1078664726 /nfs/dbraw/zinc/66/47/26/1078664726.db2.gz SKRMOVQEZPQYPJ-RBUKOAKNSA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365264 1078664691 /nfs/dbraw/zinc/66/46/91/1078664691.db2.gz SKRMOVQEZPQYPJ-RTBURBONSA-N 2 1 414.554 0.583 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000556365602 1078655631 /nfs/dbraw/zinc/65/56/31/1078655631.db2.gz XSSAPCGGIHEIHB-IYWMVGAKSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000556365602 1078655627 /nfs/dbraw/zinc/65/56/27/1078655627.db2.gz XSSAPCGGIHEIHB-IYWMVGAKSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000556365602 1078655622 /nfs/dbraw/zinc/65/56/22/1078655622.db2.gz XSSAPCGGIHEIHB-IYWMVGAKSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000556365603 1078655548 /nfs/dbraw/zinc/65/55/48/1078655548.db2.gz XSSAPCGGIHEIHB-WCIQWLHISA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000556365603 1078655547 /nfs/dbraw/zinc/65/55/47/1078655547.db2.gz XSSAPCGGIHEIHB-WCIQWLHISA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000556365603 1078655546 /nfs/dbraw/zinc/65/55/46/1078655546.db2.gz XSSAPCGGIHEIHB-WCIQWLHISA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000556365604 1078655566 /nfs/dbraw/zinc/65/55/66/1078655566.db2.gz XSSAPCGGIHEIHB-YRPNKDGESA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000556365604 1078655563 /nfs/dbraw/zinc/65/55/63/1078655563.db2.gz XSSAPCGGIHEIHB-YRPNKDGESA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000556365604 1078655561 /nfs/dbraw/zinc/65/55/61/1078655561.db2.gz XSSAPCGGIHEIHB-YRPNKDGESA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000556365605 1078655606 /nfs/dbraw/zinc/65/56/06/1078655606.db2.gz XSSAPCGGIHEIHB-ZGXWSNOMSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000556365605 1078655601 /nfs/dbraw/zinc/65/56/01/1078655601.db2.gz XSSAPCGGIHEIHB-ZGXWSNOMSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000556365605 1078655598 /nfs/dbraw/zinc/65/55/98/1078655598.db2.gz XSSAPCGGIHEIHB-ZGXWSNOMSA-N 2 1 405.587 0.746 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556366131 1078654490 /nfs/dbraw/zinc/65/44/90/1078654490.db2.gz BIMSEQINNSDMBQ-LEWJYISDSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556366132 1078654928 /nfs/dbraw/zinc/65/49/28/1078654928.db2.gz BIMSEQINNSDMBQ-NHCUHLMSSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556366133 1078655053 /nfs/dbraw/zinc/65/50/53/1078655053.db2.gz BIMSEQINNSDMBQ-RTWAWAEBSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556366134 1078655083 /nfs/dbraw/zinc/65/50/83/1078655083.db2.gz BIMSEQINNSDMBQ-SFTDATJTSA-N 2 1 413.566 0.663 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)CN1CC[NH+](C)CC1 ZINC000556367536 1078677205 /nfs/dbraw/zinc/67/72/05/1078677205.db2.gz BTOPAAXRNIXVFY-IBGZPJMESA-N 2 1 415.582 0.551 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)CN1CC[NH+](C)CC1 ZINC000556367536 1078677199 /nfs/dbraw/zinc/67/71/99/1078677199.db2.gz BTOPAAXRNIXVFY-IBGZPJMESA-N 2 1 415.582 0.551 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC000556367536 1078677195 /nfs/dbraw/zinc/67/71/95/1078677195.db2.gz BTOPAAXRNIXVFY-IBGZPJMESA-N 2 1 415.582 0.551 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)CN1CC[NH+](C)CC1 ZINC000556367537 1078677334 /nfs/dbraw/zinc/67/73/34/1078677334.db2.gz BTOPAAXRNIXVFY-LJQANCHMSA-N 2 1 415.582 0.551 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)CN1CC[NH+](C)CC1 ZINC000556367537 1078677329 /nfs/dbraw/zinc/67/73/29/1078677329.db2.gz BTOPAAXRNIXVFY-LJQANCHMSA-N 2 1 415.582 0.551 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC000556367537 1078677324 /nfs/dbraw/zinc/67/73/24/1078677324.db2.gz BTOPAAXRNIXVFY-LJQANCHMSA-N 2 1 415.582 0.551 20 0 HCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556369215 1078667274 /nfs/dbraw/zinc/66/72/74/1078667274.db2.gz HANRMSKVUIHDAT-IBGZPJMESA-N 2 1 409.619 0.860 20 0 HCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556369219 1078667193 /nfs/dbraw/zinc/66/71/93/1078667193.db2.gz HANRMSKVUIHDAT-LJQANCHMSA-N 2 1 409.619 0.860 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000556372829 1078676060 /nfs/dbraw/zinc/67/60/60/1078676060.db2.gz YWXSUBNXAMXWAL-KRWDZBQOSA-N 2 1 407.534 0.373 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000556372830 1078676073 /nfs/dbraw/zinc/67/60/73/1078676073.db2.gz YWXSUBNXAMXWAL-QGZVFWFLSA-N 2 1 407.534 0.373 20 0 HCADMP Cc1cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn2cc[nH+]c12 ZINC000556595062 1078851178 /nfs/dbraw/zinc/85/11/78/1078851178.db2.gz OPAXROBGPQGALH-UHFFFAOYSA-N 2 1 400.483 0.690 20 0 HCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556640457 1078883833 /nfs/dbraw/zinc/88/38/33/1078883833.db2.gz RBLFPBISDCZTLL-NSHGMRRFSA-N 2 1 404.555 0.891 20 0 HCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556640459 1078883818 /nfs/dbraw/zinc/88/38/18/1078883818.db2.gz RBLFPBISDCZTLL-WSTZPKSXSA-N 2 1 404.555 0.891 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556641123 1078884996 /nfs/dbraw/zinc/88/49/96/1078884996.db2.gz OUEXCDDPCIVPFI-KRWDZBQOSA-N 2 1 409.575 0.424 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556641127 1078884946 /nfs/dbraw/zinc/88/49/46/1078884946.db2.gz OUEXCDDPCIVPFI-QGZVFWFLSA-N 2 1 409.575 0.424 20 0 HCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000556643612 1078887865 /nfs/dbraw/zinc/88/78/65/1078887865.db2.gz YMLAQTGNWGIQOJ-UHFFFAOYSA-N 2 1 421.586 0.378 20 0 HCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000557001214 1079077830 /nfs/dbraw/zinc/07/78/30/1079077830.db2.gz OKCSKDWWCZGPGZ-KSZLIROESA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000557001214 1079077824 /nfs/dbraw/zinc/07/78/24/1079077824.db2.gz OKCSKDWWCZGPGZ-KSZLIROESA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000557001214 1079077819 /nfs/dbraw/zinc/07/78/19/1079077819.db2.gz OKCSKDWWCZGPGZ-KSZLIROESA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000557001214 1079077815 /nfs/dbraw/zinc/07/78/15/1079077815.db2.gz OKCSKDWWCZGPGZ-KSZLIROESA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000557001215 1079077955 /nfs/dbraw/zinc/07/79/55/1079077955.db2.gz OKCSKDWWCZGPGZ-KURKYZTESA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000557001215 1079077950 /nfs/dbraw/zinc/07/79/50/1079077950.db2.gz OKCSKDWWCZGPGZ-KURKYZTESA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000557001216 1079077912 /nfs/dbraw/zinc/07/79/12/1079077912.db2.gz OKCSKDWWCZGPGZ-KZNAEPCWSA-N 2 1 422.570 0.456 20 0 HCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000557001216 1079077904 /nfs/dbraw/zinc/07/79/04/1079077904.db2.gz OKCSKDWWCZGPGZ-KZNAEPCWSA-N 2 1 422.570 0.456 20 0 HCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)CC1 ZINC000557015073 1079088447 /nfs/dbraw/zinc/08/84/47/1079088447.db2.gz AVCJOYFRRFHFNO-KRWDZBQOSA-N 2 1 409.575 0.236 20 0 HCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)CC1 ZINC000557015074 1079088416 /nfs/dbraw/zinc/08/84/16/1079088416.db2.gz AVCJOYFRRFHFNO-QGZVFWFLSA-N 2 1 409.575 0.236 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000557019786 1079084297 /nfs/dbraw/zinc/08/42/97/1079084297.db2.gz LTJLMSIVLQMLLP-KRWDZBQOSA-N 2 1 422.595 0.991 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000557019786 1079084295 /nfs/dbraw/zinc/08/42/95/1079084295.db2.gz LTJLMSIVLQMLLP-KRWDZBQOSA-N 2 1 422.595 0.991 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000557019800 1079084248 /nfs/dbraw/zinc/08/42/48/1079084248.db2.gz LTJLMSIVLQMLLP-QGZVFWFLSA-N 2 1 422.595 0.991 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000557019800 1079084245 /nfs/dbraw/zinc/08/42/45/1079084245.db2.gz LTJLMSIVLQMLLP-QGZVFWFLSA-N 2 1 422.595 0.991 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000557023031 1079093871 /nfs/dbraw/zinc/09/38/71/1079093871.db2.gz UKHSVIQJPVPOST-DLBZAZTESA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000557023031 1079093868 /nfs/dbraw/zinc/09/38/68/1079093868.db2.gz UKHSVIQJPVPOST-DLBZAZTESA-N 2 1 408.568 0.913 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023031 1079093859 /nfs/dbraw/zinc/09/38/59/1079093859.db2.gz UKHSVIQJPVPOST-DLBZAZTESA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000557023032 1079093930 /nfs/dbraw/zinc/09/39/30/1079093930.db2.gz UKHSVIQJPVPOST-IAGOWNOFSA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000557023032 1079093925 /nfs/dbraw/zinc/09/39/25/1079093925.db2.gz UKHSVIQJPVPOST-IAGOWNOFSA-N 2 1 408.568 0.913 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023032 1079093920 /nfs/dbraw/zinc/09/39/20/1079093920.db2.gz UKHSVIQJPVPOST-IAGOWNOFSA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000557023034 1079093774 /nfs/dbraw/zinc/09/37/74/1079093774.db2.gz UKHSVIQJPVPOST-IRXDYDNUSA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000557023034 1079093771 /nfs/dbraw/zinc/09/37/71/1079093771.db2.gz UKHSVIQJPVPOST-IRXDYDNUSA-N 2 1 408.568 0.913 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023034 1079093767 /nfs/dbraw/zinc/09/37/67/1079093767.db2.gz UKHSVIQJPVPOST-IRXDYDNUSA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000557023037 1079093715 /nfs/dbraw/zinc/09/37/15/1079093715.db2.gz UKHSVIQJPVPOST-SJORKVTESA-N 2 1 408.568 0.913 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000557023037 1079093707 /nfs/dbraw/zinc/09/37/07/1079093707.db2.gz UKHSVIQJPVPOST-SJORKVTESA-N 2 1 408.568 0.913 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023037 1079093702 /nfs/dbraw/zinc/09/37/02/1079093702.db2.gz UKHSVIQJPVPOST-SJORKVTESA-N 2 1 408.568 0.913 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000557023945 1079087556 /nfs/dbraw/zinc/08/75/56/1079087556.db2.gz XWSCPVQDDOZRRI-KRWDZBQOSA-N 2 1 407.584 0.438 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000557023946 1079087585 /nfs/dbraw/zinc/08/75/85/1079087585.db2.gz XWSCPVQDDOZRRI-QGZVFWFLSA-N 2 1 407.584 0.438 20 0 HCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557045239 1079105399 /nfs/dbraw/zinc/10/53/99/1079105399.db2.gz JJBZSHOVNVKTDP-IBGZPJMESA-N 2 1 402.539 0.946 20 0 HCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557045241 1079105427 /nfs/dbraw/zinc/10/54/27/1079105427.db2.gz JJBZSHOVNVKTDP-LJQANCHMSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000557056410 1079107837 /nfs/dbraw/zinc/10/78/37/1079107837.db2.gz WYEQDLGAACNLKU-GOSISDBHSA-N 2 1 402.543 0.250 20 0 HCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000557056417 1079107825 /nfs/dbraw/zinc/10/78/25/1079107825.db2.gz WYEQDLGAACNLKU-SFHVURJKSA-N 2 1 402.543 0.250 20 0 HCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000557057568 1079108256 /nfs/dbraw/zinc/10/82/56/1079108256.db2.gz GOOSNAPBTTZNQZ-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000557057569 1079108145 /nfs/dbraw/zinc/10/81/45/1079108145.db2.gz GOOSNAPBTTZNQZ-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000557069836 1079114294 /nfs/dbraw/zinc/11/42/94/1079114294.db2.gz KXUOCNQQEIYGNW-KDURUIRLSA-N 2 1 407.603 0.852 20 0 HCADMP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000564327286 1079252832 /nfs/dbraw/zinc/25/28/32/1079252832.db2.gz TWXSQUOQTTXVDM-UHFFFAOYSA-N 2 1 404.555 0.712 20 0 HCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000564341676 1078528594 /nfs/dbraw/zinc/52/85/94/1078528594.db2.gz HXNVBABVNKDKMJ-KRWDZBQOSA-N 2 1 401.511 0.872 20 0 HCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000564341686 1078528471 /nfs/dbraw/zinc/52/84/71/1078528471.db2.gz HXNVBABVNKDKMJ-QGZVFWFLSA-N 2 1 401.511 0.872 20 0 HCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000564341873 1078529726 /nfs/dbraw/zinc/52/97/26/1078529726.db2.gz HVENLLHDJZOYEI-FQEVSTJZSA-N 2 1 419.545 0.612 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564360035 1078652484 /nfs/dbraw/zinc/65/24/84/1078652484.db2.gz YSAGAQFTWKTLEC-NRFANRHFSA-N 2 1 415.582 0.769 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564360035 1078652483 /nfs/dbraw/zinc/65/24/83/1078652483.db2.gz YSAGAQFTWKTLEC-NRFANRHFSA-N 2 1 415.582 0.769 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564360035 1078652480 /nfs/dbraw/zinc/65/24/80/1078652480.db2.gz YSAGAQFTWKTLEC-NRFANRHFSA-N 2 1 415.582 0.769 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564360037 1078652431 /nfs/dbraw/zinc/65/24/31/1078652431.db2.gz YSAGAQFTWKTLEC-OAQYLSRUSA-N 2 1 415.582 0.769 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564360037 1078652427 /nfs/dbraw/zinc/65/24/27/1078652427.db2.gz YSAGAQFTWKTLEC-OAQYLSRUSA-N 2 1 415.582 0.769 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564360037 1078652422 /nfs/dbraw/zinc/65/24/22/1078652422.db2.gz YSAGAQFTWKTLEC-OAQYLSRUSA-N 2 1 415.582 0.769 20 0 HCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000564366035 1078698405 /nfs/dbraw/zinc/69/84/05/1078698405.db2.gz AKYIZQMJUOGDDF-MOPGFXCFSA-N 2 1 424.586 0.297 20 0 HCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000564366049 1078698818 /nfs/dbraw/zinc/69/88/18/1078698818.db2.gz AKYIZQMJUOGDDF-OALUTQOASA-N 2 1 424.586 0.297 20 0 HCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000564366071 1078698840 /nfs/dbraw/zinc/69/88/40/1078698840.db2.gz AKYIZQMJUOGDDF-RBUKOAKNSA-N 2 1 424.586 0.297 20 0 HCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000564366074 1078699007 /nfs/dbraw/zinc/69/90/07/1078699007.db2.gz AKYIZQMJUOGDDF-RTBURBONSA-N 2 1 424.586 0.297 20 0 HCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCO1 ZINC000572555570 1078895761 /nfs/dbraw/zinc/89/57/61/1078895761.db2.gz DPORIHRBPFTHPJ-GOSISDBHSA-N 2 1 412.575 0.563 20 0 HCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCO1 ZINC000572555571 1078895733 /nfs/dbraw/zinc/89/57/33/1078895733.db2.gz DPORIHRBPFTHPJ-SFHVURJKSA-N 2 1 412.575 0.563 20 0 HCADMP CN(CCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1)CC[NH+](C)C ZINC000572558695 1078917706 /nfs/dbraw/zinc/91/77/06/1078917706.db2.gz KNXPBVAAXSQLBE-UHFFFAOYSA-N 2 1 409.600 0.848 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000572563963 1078938659 /nfs/dbraw/zinc/93/86/59/1078938659.db2.gz TWWLOWHQIZCKBU-UHFFFAOYSA-N 2 1 417.554 0.029 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000598268788 1073440251 /nfs/dbraw/zinc/44/02/51/1073440251.db2.gz QXTYBUNDVOPDIA-UHFFFAOYSA-N 2 1 402.543 0.898 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000598270074 1073440087 /nfs/dbraw/zinc/44/00/87/1073440087.db2.gz ZPWGSBQDMSRHIN-UHFFFAOYSA-N 2 1 405.543 0.979 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000598322826 1073450522 /nfs/dbraw/zinc/45/05/22/1073450522.db2.gz NFKZAFPCFYUDJS-IBGZPJMESA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000598322826 1073450501 /nfs/dbraw/zinc/45/05/01/1073450501.db2.gz NFKZAFPCFYUDJS-IBGZPJMESA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000598322832 1073449261 /nfs/dbraw/zinc/44/92/61/1073449261.db2.gz NFKZAFPCFYUDJS-LJQANCHMSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000598322832 1073449238 /nfs/dbraw/zinc/44/92/38/1073449238.db2.gz NFKZAFPCFYUDJS-LJQANCHMSA-N 2 1 408.591 0.351 20 0 HCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@@](C)(CO)c2ccccc2)CC1 ZINC000599173843 1073575625 /nfs/dbraw/zinc/57/56/25/1073575625.db2.gz ZPLISNACVDZLIH-NRFANRHFSA-N 2 1 409.494 0.509 20 0 HCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@](C)(CO)c2ccccc2)CC1 ZINC000599173844 1073575565 /nfs/dbraw/zinc/57/55/65/1073575565.db2.gz ZPLISNACVDZLIH-OAQYLSRUSA-N 2 1 409.494 0.509 20 0 HCADMP C[NH+]1CCN(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000599321666 1073603104 /nfs/dbraw/zinc/60/31/04/1073603104.db2.gz MCRPJVPVNKGPDM-FQEVSTJZSA-N 2 1 400.571 0.690 20 0 HCADMP C[NH+]1CCN(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000599321772 1073603365 /nfs/dbraw/zinc/60/33/65/1073603365.db2.gz MCRPJVPVNKGPDM-HXUWFJFHSA-N 2 1 400.571 0.690 20 0 HCADMP COc1cc2[nH+]c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nc(N)c2cc1OC ZINC000599881744 1073703974 /nfs/dbraw/zinc/70/39/74/1073703974.db2.gz ALJVYILCBTXBHI-UHFFFAOYSA-N 2 1 400.483 0.974 20 0 HCADMP COc1cc2[nH+]c(NC3CC[NH+](CCC(=O)N(C)C)CC3)nc(N)c2cc1OC ZINC000599913720 1073713746 /nfs/dbraw/zinc/71/37/46/1073713746.db2.gz VBTBWPGCCAHOPF-UHFFFAOYSA-N 2 1 402.499 1.006 20 0 HCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000599967117 1073737790 /nfs/dbraw/zinc/73/77/90/1073737790.db2.gz PFNAOZAZHGMHJH-IBGZPJMESA-N 2 1 401.511 0.444 20 0 HCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000599967118 1073738166 /nfs/dbraw/zinc/73/81/66/1073738166.db2.gz PFNAOZAZHGMHJH-LJQANCHMSA-N 2 1 401.511 0.444 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332734 1073402495 /nfs/dbraw/zinc/40/24/95/1073402495.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332734 1073402485 /nfs/dbraw/zinc/40/24/85/1073402485.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332734 1073402475 /nfs/dbraw/zinc/40/24/75/1073402475.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332734 1073402460 /nfs/dbraw/zinc/40/24/60/1073402460.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332734 1073402444 /nfs/dbraw/zinc/40/24/44/1073402444.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332736 1073402771 /nfs/dbraw/zinc/40/27/71/1073402771.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332736 1073402745 /nfs/dbraw/zinc/40/27/45/1073402745.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332736 1073402741 /nfs/dbraw/zinc/40/27/41/1073402741.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332736 1073402736 /nfs/dbraw/zinc/40/27/36/1073402736.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332736 1073402732 /nfs/dbraw/zinc/40/27/32/1073402732.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332738 1073401665 /nfs/dbraw/zinc/40/16/65/1073401665.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332738 1073401650 /nfs/dbraw/zinc/40/16/50/1073401650.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332738 1073401643 /nfs/dbraw/zinc/40/16/43/1073401643.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332738 1073401632 /nfs/dbraw/zinc/40/16/32/1073401632.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332738 1073401621 /nfs/dbraw/zinc/40/16/21/1073401621.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332740 1073401253 /nfs/dbraw/zinc/40/12/53/1073401253.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332740 1073401242 /nfs/dbraw/zinc/40/12/42/1073401242.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332740 1073401234 /nfs/dbraw/zinc/40/12/34/1073401234.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1=O ZINC000602332740 1073401227 /nfs/dbraw/zinc/40/12/27/1073401227.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332740 1073401214 /nfs/dbraw/zinc/40/12/14/1073401214.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000603220485 1073488703 /nfs/dbraw/zinc/48/87/03/1073488703.db2.gz UFFOBPMOCDGLQV-ZDUSSCGKSA-N 2 1 422.511 0.744 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241752 1073495261 /nfs/dbraw/zinc/49/52/61/1073495261.db2.gz LIBUYQOAWNGDGI-BHIYHBOVSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241752 1073495245 /nfs/dbraw/zinc/49/52/45/1073495245.db2.gz LIBUYQOAWNGDGI-BHIYHBOVSA-N 2 1 419.570 0.260 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241752 1073495227 /nfs/dbraw/zinc/49/52/27/1073495227.db2.gz LIBUYQOAWNGDGI-BHIYHBOVSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241753 1073495758 /nfs/dbraw/zinc/49/57/58/1073495758.db2.gz LIBUYQOAWNGDGI-QRQLOZEOSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241753 1073495737 /nfs/dbraw/zinc/49/57/37/1073495737.db2.gz LIBUYQOAWNGDGI-QRQLOZEOSA-N 2 1 419.570 0.260 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241753 1073495725 /nfs/dbraw/zinc/49/57/25/1073495725.db2.gz LIBUYQOAWNGDGI-QRQLOZEOSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241754 1073495628 /nfs/dbraw/zinc/49/56/28/1073495628.db2.gz LIBUYQOAWNGDGI-QXAKKESOSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241754 1073495617 /nfs/dbraw/zinc/49/56/17/1073495617.db2.gz LIBUYQOAWNGDGI-QXAKKESOSA-N 2 1 419.570 0.260 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241754 1073495604 /nfs/dbraw/zinc/49/56/04/1073495604.db2.gz LIBUYQOAWNGDGI-QXAKKESOSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241755 1073495420 /nfs/dbraw/zinc/49/54/20/1073495420.db2.gz LIBUYQOAWNGDGI-UHOSZYNNSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241755 1073495410 /nfs/dbraw/zinc/49/54/10/1073495410.db2.gz LIBUYQOAWNGDGI-UHOSZYNNSA-N 2 1 419.570 0.260 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241755 1073495408 /nfs/dbraw/zinc/49/54/08/1073495408.db2.gz LIBUYQOAWNGDGI-UHOSZYNNSA-N 2 1 419.570 0.260 20 0 HCADMP CC[NH+]1CCN(CCNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC000603285344 1073503340 /nfs/dbraw/zinc/50/33/40/1073503340.db2.gz QQUGIRUJFYGOLY-UHFFFAOYSA-N 2 1 411.554 0.931 20 0 HCADMP Cc1c(C(=O)N2CCN(CC[NH+](C)C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000603552541 1073560556 /nfs/dbraw/zinc/56/05/56/1073560556.db2.gz FCOBEJMNDOUYEI-UHFFFAOYSA-N 2 1 411.554 0.883 20 0 HCADMP Cc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000603553378 1073560481 /nfs/dbraw/zinc/56/04/81/1073560481.db2.gz XXUVLLRPIAMXQT-INIZCTEOSA-N 2 1 411.554 0.929 20 0 HCADMP Cc1c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000603553379 1073560785 /nfs/dbraw/zinc/56/07/85/1073560785.db2.gz XXUVLLRPIAMXQT-MRXNPFEDSA-N 2 1 411.554 0.929 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000603622414 1073580738 /nfs/dbraw/zinc/58/07/38/1073580738.db2.gz VJVOFJIZNYVPEM-KRWDZBQOSA-N 2 1 415.538 0.813 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000603622416 1073580761 /nfs/dbraw/zinc/58/07/61/1073580761.db2.gz VJVOFJIZNYVPEM-QGZVFWFLSA-N 2 1 415.538 0.813 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603815843 1073635031 /nfs/dbraw/zinc/63/50/31/1073635031.db2.gz PGJXKLLRVSSDNJ-HSZRJFAPSA-N 2 1 424.549 0.742 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815843 1073635029 /nfs/dbraw/zinc/63/50/29/1073635029.db2.gz PGJXKLLRVSSDNJ-HSZRJFAPSA-N 2 1 424.549 0.742 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603815844 1073634961 /nfs/dbraw/zinc/63/49/61/1073634961.db2.gz PGJXKLLRVSSDNJ-QHCPKHFHSA-N 2 1 424.549 0.742 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815844 1073634953 /nfs/dbraw/zinc/63/49/53/1073634953.db2.gz PGJXKLLRVSSDNJ-QHCPKHFHSA-N 2 1 424.549 0.742 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820384 1073635758 /nfs/dbraw/zinc/63/57/58/1073635758.db2.gz MORQHYULBULLIY-DENIHFKCSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820384 1073635742 /nfs/dbraw/zinc/63/57/42/1073635742.db2.gz MORQHYULBULLIY-DENIHFKCSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820384 1073635726 /nfs/dbraw/zinc/63/57/26/1073635726.db2.gz MORQHYULBULLIY-DENIHFKCSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820389 1073635968 /nfs/dbraw/zinc/63/59/68/1073635968.db2.gz MORQHYULBULLIY-KNQAVFIVSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820389 1073635964 /nfs/dbraw/zinc/63/59/64/1073635964.db2.gz MORQHYULBULLIY-KNQAVFIVSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820389 1073635958 /nfs/dbraw/zinc/63/59/58/1073635958.db2.gz MORQHYULBULLIY-KNQAVFIVSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820391 1073636691 /nfs/dbraw/zinc/63/66/91/1073636691.db2.gz MORQHYULBULLIY-SIKLNZKXSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820391 1073636680 /nfs/dbraw/zinc/63/66/80/1073636680.db2.gz MORQHYULBULLIY-SIKLNZKXSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820391 1073636670 /nfs/dbraw/zinc/63/66/70/1073636670.db2.gz MORQHYULBULLIY-SIKLNZKXSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820392 1073637026 /nfs/dbraw/zinc/63/70/26/1073637026.db2.gz MORQHYULBULLIY-UGKGYDQZSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820392 1073637007 /nfs/dbraw/zinc/63/70/07/1073637007.db2.gz MORQHYULBULLIY-UGKGYDQZSA-N 2 1 400.523 0.564 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820392 1073636995 /nfs/dbraw/zinc/63/69/95/1073636995.db2.gz MORQHYULBULLIY-UGKGYDQZSA-N 2 1 400.523 0.564 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187765 1073740306 /nfs/dbraw/zinc/74/03/06/1073740306.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187765 1073740280 /nfs/dbraw/zinc/74/02/80/1073740280.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604187765 1073740260 /nfs/dbraw/zinc/74/02/60/1073740260.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604187765 1073740249 /nfs/dbraw/zinc/74/02/49/1073740249.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187765 1073740228 /nfs/dbraw/zinc/74/02/28/1073740228.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187766 1073740063 /nfs/dbraw/zinc/74/00/63/1073740063.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187766 1073740053 /nfs/dbraw/zinc/74/00/53/1073740053.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604187766 1073740030 /nfs/dbraw/zinc/74/00/30/1073740030.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604187766 1073740006 /nfs/dbraw/zinc/74/00/06/1073740006.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187766 1073739997 /nfs/dbraw/zinc/73/99/97/1073739997.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187767 1073740872 /nfs/dbraw/zinc/74/08/72/1073740872.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187767 1073740857 /nfs/dbraw/zinc/74/08/57/1073740857.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604187767 1073740838 /nfs/dbraw/zinc/74/08/38/1073740838.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604187767 1073740815 /nfs/dbraw/zinc/74/08/15/1073740815.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187767 1073740802 /nfs/dbraw/zinc/74/08/02/1073740802.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187768 1073740648 /nfs/dbraw/zinc/74/06/48/1073740648.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604187768 1073740638 /nfs/dbraw/zinc/74/06/38/1073740638.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604187768 1073740626 /nfs/dbraw/zinc/74/06/26/1073740626.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604187768 1073740614 /nfs/dbraw/zinc/74/06/14/1073740614.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187768 1073740596 /nfs/dbraw/zinc/74/05/96/1073740596.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604195119 1073743104 /nfs/dbraw/zinc/74/31/04/1073743104.db2.gz ODTHDQACOWFXQQ-GOSISDBHSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604195119 1073743089 /nfs/dbraw/zinc/74/30/89/1073743089.db2.gz ODTHDQACOWFXQQ-GOSISDBHSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604195120 1073743879 /nfs/dbraw/zinc/74/38/79/1073743879.db2.gz ODTHDQACOWFXQQ-SFHVURJKSA-N 2 1 408.591 0.397 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604195120 1073743866 /nfs/dbraw/zinc/74/38/66/1073743866.db2.gz ODTHDQACOWFXQQ-SFHVURJKSA-N 2 1 408.591 0.397 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604208647 1073751485 /nfs/dbraw/zinc/75/14/85/1073751485.db2.gz KMKDBYNFQVLEOS-GOSISDBHSA-N 2 1 408.591 0.351 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604208647 1073751477 /nfs/dbraw/zinc/75/14/77/1073751477.db2.gz KMKDBYNFQVLEOS-GOSISDBHSA-N 2 1 408.591 0.351 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604208658 1073752007 /nfs/dbraw/zinc/75/20/07/1073752007.db2.gz KMKDBYNFQVLEOS-SFHVURJKSA-N 2 1 408.591 0.351 20 0 HCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604208658 1073751999 /nfs/dbraw/zinc/75/19/99/1073751999.db2.gz KMKDBYNFQVLEOS-SFHVURJKSA-N 2 1 408.591 0.351 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209118 1073751759 /nfs/dbraw/zinc/75/17/59/1073751759.db2.gz NSWFFXVHPDAFFX-GOSISDBHSA-N 2 1 406.575 0.105 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209118 1073751748 /nfs/dbraw/zinc/75/17/48/1073751748.db2.gz NSWFFXVHPDAFFX-GOSISDBHSA-N 2 1 406.575 0.105 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209120 1073751798 /nfs/dbraw/zinc/75/17/98/1073751798.db2.gz NSWFFXVHPDAFFX-SFHVURJKSA-N 2 1 406.575 0.105 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209120 1073751792 /nfs/dbraw/zinc/75/17/92/1073751792.db2.gz NSWFFXVHPDAFFX-SFHVURJKSA-N 2 1 406.575 0.105 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209966 1073753455 /nfs/dbraw/zinc/75/34/55/1073753455.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209966 1073753444 /nfs/dbraw/zinc/75/34/44/1073753444.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209966 1073753430 /nfs/dbraw/zinc/75/34/30/1073753430.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209966 1073753420 /nfs/dbraw/zinc/75/34/20/1073753420.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209966 1073753413 /nfs/dbraw/zinc/75/34/13/1073753413.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209967 1073752987 /nfs/dbraw/zinc/75/29/87/1073752987.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209967 1073752977 /nfs/dbraw/zinc/75/29/77/1073752977.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209967 1073752970 /nfs/dbraw/zinc/75/29/70/1073752970.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209967 1073752959 /nfs/dbraw/zinc/75/29/59/1073752959.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209967 1073752950 /nfs/dbraw/zinc/75/29/50/1073752950.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209968 1073753176 /nfs/dbraw/zinc/75/31/76/1073753176.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209968 1073753166 /nfs/dbraw/zinc/75/31/66/1073753166.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209968 1073753157 /nfs/dbraw/zinc/75/31/57/1073753157.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209968 1073753148 /nfs/dbraw/zinc/75/31/48/1073753148.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209968 1073753136 /nfs/dbraw/zinc/75/31/36/1073753136.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209969 1073752704 /nfs/dbraw/zinc/75/27/04/1073752704.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 2 1 406.619 0.966 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209969 1073752698 /nfs/dbraw/zinc/75/26/98/1073752698.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209969 1073752687 /nfs/dbraw/zinc/75/26/87/1073752687.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209969 1073752672 /nfs/dbraw/zinc/75/26/72/1073752672.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209969 1073752658 /nfs/dbraw/zinc/75/26/58/1073752658.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 2 1 406.619 0.966 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000604352562 1073789435 /nfs/dbraw/zinc/78/94/35/1073789435.db2.gz IWFJBDLXEHSMHM-HSALFYBXSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000604352562 1073789426 /nfs/dbraw/zinc/78/94/26/1073789426.db2.gz IWFJBDLXEHSMHM-HSALFYBXSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352562 1073789418 /nfs/dbraw/zinc/78/94/18/1073789418.db2.gz IWFJBDLXEHSMHM-HSALFYBXSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000604352563 1073789169 /nfs/dbraw/zinc/78/91/69/1073789169.db2.gz IWFJBDLXEHSMHM-SLFFLAALSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000604352563 1073789160 /nfs/dbraw/zinc/78/91/60/1073789160.db2.gz IWFJBDLXEHSMHM-SLFFLAALSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352563 1073789149 /nfs/dbraw/zinc/78/91/49/1073789149.db2.gz IWFJBDLXEHSMHM-SLFFLAALSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000604352564 1073789117 /nfs/dbraw/zinc/78/91/17/1073789117.db2.gz IWFJBDLXEHSMHM-VAMGGRTRSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000604352564 1073789112 /nfs/dbraw/zinc/78/91/12/1073789112.db2.gz IWFJBDLXEHSMHM-VAMGGRTRSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352564 1073789098 /nfs/dbraw/zinc/78/90/98/1073789098.db2.gz IWFJBDLXEHSMHM-VAMGGRTRSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000604352565 1073789473 /nfs/dbraw/zinc/78/94/73/1073789473.db2.gz IWFJBDLXEHSMHM-XUVXKRRUSA-N 2 1 405.587 0.558 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000604352565 1073789467 /nfs/dbraw/zinc/78/94/67/1073789467.db2.gz IWFJBDLXEHSMHM-XUVXKRRUSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352565 1073789456 /nfs/dbraw/zinc/78/94/56/1073789456.db2.gz IWFJBDLXEHSMHM-XUVXKRRUSA-N 2 1 405.587 0.558 20 0 HCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370919 1073773153 /nfs/dbraw/zinc/77/31/53/1073773153.db2.gz BGZJZTAOLVBWEI-JOCHJYFZSA-N 2 1 415.582 0.327 20 0 HCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370919 1073773144 /nfs/dbraw/zinc/77/31/44/1073773144.db2.gz BGZJZTAOLVBWEI-JOCHJYFZSA-N 2 1 415.582 0.327 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370927 1073773362 /nfs/dbraw/zinc/77/33/62/1073773362.db2.gz NNYVQVGLSKIVDB-LEWJYISDSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370927 1073773354 /nfs/dbraw/zinc/77/33/54/1073773354.db2.gz NNYVQVGLSKIVDB-LEWJYISDSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370927 1073773343 /nfs/dbraw/zinc/77/33/43/1073773343.db2.gz NNYVQVGLSKIVDB-LEWJYISDSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370930 1073773469 /nfs/dbraw/zinc/77/34/69/1073773469.db2.gz BGZJZTAOLVBWEI-QFIPXVFZSA-N 2 1 415.582 0.327 20 0 HCADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370930 1073773453 /nfs/dbraw/zinc/77/34/53/1073773453.db2.gz BGZJZTAOLVBWEI-QFIPXVFZSA-N 2 1 415.582 0.327 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370939 1073771698 /nfs/dbraw/zinc/77/16/98/1073771698.db2.gz NNYVQVGLSKIVDB-NHCUHLMSSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370939 1073771689 /nfs/dbraw/zinc/77/16/89/1073771689.db2.gz NNYVQVGLSKIVDB-NHCUHLMSSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370939 1073771675 /nfs/dbraw/zinc/77/16/75/1073771675.db2.gz NNYVQVGLSKIVDB-NHCUHLMSSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370941 1073772052 /nfs/dbraw/zinc/77/20/52/1073772052.db2.gz NNYVQVGLSKIVDB-RTWAWAEBSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370941 1073772035 /nfs/dbraw/zinc/77/20/35/1073772035.db2.gz NNYVQVGLSKIVDB-RTWAWAEBSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370941 1073772019 /nfs/dbraw/zinc/77/20/19/1073772019.db2.gz NNYVQVGLSKIVDB-RTWAWAEBSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370945 1073772263 /nfs/dbraw/zinc/77/22/63/1073772263.db2.gz NNYVQVGLSKIVDB-SFTDATJTSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370945 1073772256 /nfs/dbraw/zinc/77/22/56/1073772256.db2.gz NNYVQVGLSKIVDB-SFTDATJTSA-N 2 1 401.555 0.816 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370945 1073772246 /nfs/dbraw/zinc/77/22/46/1073772246.db2.gz NNYVQVGLSKIVDB-SFTDATJTSA-N 2 1 401.555 0.816 20 0 HCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1 ZINC000604388491 1073803579 /nfs/dbraw/zinc/80/35/79/1073803579.db2.gz FVQVWYVYDKXICV-FQEVSTJZSA-N 2 1 400.571 0.832 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1 ZINC000604388493 1073803491 /nfs/dbraw/zinc/80/34/91/1073803491.db2.gz FVQVWYVYDKXICV-HXUWFJFHSA-N 2 1 400.571 0.832 20 0 HCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C1 ZINC000604389663 1073803986 /nfs/dbraw/zinc/80/39/86/1073803986.db2.gz HFYCZGDPDLMDSL-KRWDZBQOSA-N 2 1 409.556 0.374 20 0 HCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)C1 ZINC000604389663 1073803984 /nfs/dbraw/zinc/80/39/84/1073803984.db2.gz HFYCZGDPDLMDSL-KRWDZBQOSA-N 2 1 409.556 0.374 20 0 HCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C1 ZINC000604389908 1073804003 /nfs/dbraw/zinc/80/40/03/1073804003.db2.gz YUAAJHLEIOYYHL-IBGZPJMESA-N 2 1 401.559 0.227 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C1 ZINC000604389909 1073803910 /nfs/dbraw/zinc/80/39/10/1073803910.db2.gz YUAAJHLEIOYYHL-LJQANCHMSA-N 2 1 401.559 0.227 20 0 HCADMP C[N@H+]1CCC[C@H](N2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000604390392 1073803835 /nfs/dbraw/zinc/80/38/35/1073803835.db2.gz XIASTUJLWQNPPY-NRFANRHFSA-N 2 1 421.630 0.850 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000604390393 1073803961 /nfs/dbraw/zinc/80/39/61/1073803961.db2.gz XIASTUJLWQNPPY-OAQYLSRUSA-N 2 1 421.630 0.850 20 0 HCADMP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606318 1073820681 /nfs/dbraw/zinc/82/06/81/1073820681.db2.gz OYTCVHDUSCPHDN-JOCHJYFZSA-N 2 1 415.582 0.570 20 0 HCADMP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606319 1073821049 /nfs/dbraw/zinc/82/10/49/1073821049.db2.gz OYTCVHDUSCPHDN-QFIPXVFZSA-N 2 1 415.582 0.570 20 0 HCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604632088 1073822898 /nfs/dbraw/zinc/82/28/98/1073822898.db2.gz RTYZSCFMPOVCJA-FQEVSTJZSA-N 2 1 423.602 0.727 20 0 HCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604632089 1073822977 /nfs/dbraw/zinc/82/29/77/1073822977.db2.gz RTYZSCFMPOVCJA-HXUWFJFHSA-N 2 1 423.602 0.727 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632238 1073822451 /nfs/dbraw/zinc/82/24/51/1073822451.db2.gz AATMYJHGXBVBEL-LEWJYISDSA-N 2 1 403.571 0.865 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632239 1073822547 /nfs/dbraw/zinc/82/25/47/1073822547.db2.gz AATMYJHGXBVBEL-NHCUHLMSSA-N 2 1 403.571 0.865 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632240 1073822844 /nfs/dbraw/zinc/82/28/44/1073822844.db2.gz AATMYJHGXBVBEL-RTWAWAEBSA-N 2 1 403.571 0.865 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632241 1073822928 /nfs/dbraw/zinc/82/29/28/1073822928.db2.gz AATMYJHGXBVBEL-SFTDATJTSA-N 2 1 403.571 0.865 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604633222 1073822965 /nfs/dbraw/zinc/82/29/65/1073822965.db2.gz YLUXNQCADRQEKB-LEWJYISDSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604633222 1073822963 /nfs/dbraw/zinc/82/29/63/1073822963.db2.gz YLUXNQCADRQEKB-LEWJYISDSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633222 1073822960 /nfs/dbraw/zinc/82/29/60/1073822960.db2.gz YLUXNQCADRQEKB-LEWJYISDSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000604633223 1073822833 /nfs/dbraw/zinc/82/28/33/1073822833.db2.gz YLUXNQCADRQEKB-NHCUHLMSSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000604633223 1073822832 /nfs/dbraw/zinc/82/28/32/1073822832.db2.gz YLUXNQCADRQEKB-NHCUHLMSSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633223 1073822829 /nfs/dbraw/zinc/82/28/29/1073822829.db2.gz YLUXNQCADRQEKB-NHCUHLMSSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000604633224 1073822856 /nfs/dbraw/zinc/82/28/56/1073822856.db2.gz YLUXNQCADRQEKB-RTWAWAEBSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000604633224 1073822854 /nfs/dbraw/zinc/82/28/54/1073822854.db2.gz YLUXNQCADRQEKB-RTWAWAEBSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000604633224 1073822847 /nfs/dbraw/zinc/82/28/47/1073822847.db2.gz YLUXNQCADRQEKB-RTWAWAEBSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000604633225 1073822941 /nfs/dbraw/zinc/82/29/41/1073822941.db2.gz YLUXNQCADRQEKB-SFTDATJTSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000604633225 1073822940 /nfs/dbraw/zinc/82/29/40/1073822940.db2.gz YLUXNQCADRQEKB-SFTDATJTSA-N 2 1 401.555 0.967 20 0 HCADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633225 1073822936 /nfs/dbraw/zinc/82/29/36/1073822936.db2.gz YLUXNQCADRQEKB-SFTDATJTSA-N 2 1 401.555 0.967 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000604636270 1073823343 /nfs/dbraw/zinc/82/33/43/1073823343.db2.gz PSARCVDIWREVIE-FQEVSTJZSA-N 2 1 415.586 0.755 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000604636271 1073823457 /nfs/dbraw/zinc/82/34/57/1073823457.db2.gz PSARCVDIWREVIE-HXUWFJFHSA-N 2 1 415.586 0.755 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823329 /nfs/dbraw/zinc/82/33/29/1073823329.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823325 /nfs/dbraw/zinc/82/33/25/1073823325.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823322 /nfs/dbraw/zinc/82/33/22/1073823322.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823320 /nfs/dbraw/zinc/82/33/20/1073823320.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636394 1073823309 /nfs/dbraw/zinc/82/33/09/1073823309.db2.gz ZGRFYBDLSVPRNK-GUDVDZBRSA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636394 1073823305 /nfs/dbraw/zinc/82/33/05/1073823305.db2.gz ZGRFYBDLSVPRNK-GUDVDZBRSA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823496 /nfs/dbraw/zinc/82/34/96/1073823496.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823492 /nfs/dbraw/zinc/82/34/92/1073823492.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823488 /nfs/dbraw/zinc/82/34/88/1073823488.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823487 /nfs/dbraw/zinc/82/34/87/1073823487.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636396 1073823407 /nfs/dbraw/zinc/82/34/07/1073823407.db2.gz ZGRFYBDLSVPRNK-QRVBRYPASA-N 2 1 411.591 0.580 20 0 HCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636396 1073823403 /nfs/dbraw/zinc/82/34/03/1073823403.db2.gz ZGRFYBDLSVPRNK-QRVBRYPASA-N 2 1 411.591 0.580 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000604637329 1073823943 /nfs/dbraw/zinc/82/39/43/1073823943.db2.gz OCGGGENRGMQOMK-NRFANRHFSA-N 2 1 416.570 0.752 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000604637330 1073823923 /nfs/dbraw/zinc/82/39/23/1073823923.db2.gz OCGGGENRGMQOMK-OAQYLSRUSA-N 2 1 416.570 0.752 20 0 HCADMP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604637522 1073823982 /nfs/dbraw/zinc/82/39/82/1073823982.db2.gz COCWTJNVYDQNLL-FQEVSTJZSA-N 2 1 419.570 0.833 20 0 HCADMP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604637523 1073824033 /nfs/dbraw/zinc/82/40/33/1073824033.db2.gz COCWTJNVYDQNLL-HXUWFJFHSA-N 2 1 419.570 0.833 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccn2)CC1 ZINC000604637542 1073824007 /nfs/dbraw/zinc/82/40/07/1073824007.db2.gz FLGRJTXBSIAQFK-FQEVSTJZSA-N 2 1 415.586 0.755 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccn2)CC1 ZINC000604637543 1073824100 /nfs/dbraw/zinc/82/41/00/1073824100.db2.gz FLGRJTXBSIAQFK-HXUWFJFHSA-N 2 1 415.586 0.755 20 0 HCADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604638470 1073825079 /nfs/dbraw/zinc/82/50/79/1073825079.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 2 1 401.555 0.750 20 0 HCADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604638470 1073825077 /nfs/dbraw/zinc/82/50/77/1073825077.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 2 1 401.555 0.750 20 0 HCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604638470 1073825075 /nfs/dbraw/zinc/82/50/75/1073825075.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 2 1 401.555 0.750 20 0 HCADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604638471 1073824894 /nfs/dbraw/zinc/82/48/94/1073824894.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 2 1 401.555 0.750 20 0 HCADMP O=C(NCC[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604638471 1073824891 /nfs/dbraw/zinc/82/48/91/1073824891.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 2 1 401.555 0.750 20 0 HCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604638471 1073824886 /nfs/dbraw/zinc/82/48/86/1073824886.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 2 1 401.555 0.750 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604639546 1073825129 /nfs/dbraw/zinc/82/51/29/1073825129.db2.gz YYWCHKXPZDFVIW-FQEVSTJZSA-N 2 1 410.607 0.110 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639546 1073825125 /nfs/dbraw/zinc/82/51/25/1073825125.db2.gz YYWCHKXPZDFVIW-FQEVSTJZSA-N 2 1 410.607 0.110 20 0 HCADMP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604639546 1073825122 /nfs/dbraw/zinc/82/51/22/1073825122.db2.gz YYWCHKXPZDFVIW-FQEVSTJZSA-N 2 1 410.607 0.110 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604639547 1073825545 /nfs/dbraw/zinc/82/55/45/1073825545.db2.gz YYWCHKXPZDFVIW-HXUWFJFHSA-N 2 1 410.607 0.110 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639547 1073825543 /nfs/dbraw/zinc/82/55/43/1073825543.db2.gz YYWCHKXPZDFVIW-HXUWFJFHSA-N 2 1 410.607 0.110 20 0 HCADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604639547 1073825541 /nfs/dbraw/zinc/82/55/41/1073825541.db2.gz YYWCHKXPZDFVIW-HXUWFJFHSA-N 2 1 410.607 0.110 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604639778 1073822075 /nfs/dbraw/zinc/82/20/75/1073822075.db2.gz OLBHOPSOUCQXFN-IBGZPJMESA-N 2 1 408.591 0.398 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604639778 1073822073 /nfs/dbraw/zinc/82/20/73/1073822073.db2.gz OLBHOPSOUCQXFN-IBGZPJMESA-N 2 1 408.591 0.398 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604639779 1073822136 /nfs/dbraw/zinc/82/21/36/1073822136.db2.gz OLBHOPSOUCQXFN-LJQANCHMSA-N 2 1 408.591 0.398 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604639779 1073822135 /nfs/dbraw/zinc/82/21/35/1073822135.db2.gz OLBHOPSOUCQXFN-LJQANCHMSA-N 2 1 408.591 0.398 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000604642327 1073838370 /nfs/dbraw/zinc/83/83/70/1073838370.db2.gz VMPJEQIKAFRDPK-NRFANRHFSA-N 2 1 416.570 0.752 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000604642328 1073838429 /nfs/dbraw/zinc/83/84/29/1073838429.db2.gz VMPJEQIKAFRDPK-OAQYLSRUSA-N 2 1 416.570 0.752 20 0 HCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643067 1073838830 /nfs/dbraw/zinc/83/88/30/1073838830.db2.gz RVYWHSVNIIHPDB-LEWJYISDSA-N 2 1 403.571 0.865 20 0 HCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643068 1073838976 /nfs/dbraw/zinc/83/89/76/1073838976.db2.gz RVYWHSVNIIHPDB-NHCUHLMSSA-N 2 1 403.571 0.865 20 0 HCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643069 1073838907 /nfs/dbraw/zinc/83/89/07/1073838907.db2.gz RVYWHSVNIIHPDB-RTWAWAEBSA-N 2 1 403.571 0.865 20 0 HCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643070 1073838929 /nfs/dbraw/zinc/83/89/29/1073838929.db2.gz RVYWHSVNIIHPDB-SFTDATJTSA-N 2 1 403.571 0.865 20 0 HCADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604644002 1073839359 /nfs/dbraw/zinc/83/93/59/1073839359.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604644002 1073839358 /nfs/dbraw/zinc/83/93/58/1073839358.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604644002 1073839356 /nfs/dbraw/zinc/83/93/56/1073839356.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604644002 1073839349 /nfs/dbraw/zinc/83/93/49/1073839349.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604644003 1073839454 /nfs/dbraw/zinc/83/94/54/1073839454.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604644003 1073839453 /nfs/dbraw/zinc/83/94/53/1073839453.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604644003 1073839450 /nfs/dbraw/zinc/83/94/50/1073839450.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 2 1 407.584 0.812 20 0 HCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604644003 1073839448 /nfs/dbraw/zinc/83/94/48/1073839448.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 2 1 407.584 0.812 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604646420 1073839983 /nfs/dbraw/zinc/83/99/83/1073839983.db2.gz QMHSMOPCIOGSLT-FQEVSTJZSA-N 2 1 415.586 0.755 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604646421 1073840117 /nfs/dbraw/zinc/84/01/17/1073840117.db2.gz QMHSMOPCIOGSLT-HXUWFJFHSA-N 2 1 415.586 0.755 20 0 HCADMP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604647355 1073840452 /nfs/dbraw/zinc/84/04/52/1073840452.db2.gz RCFPFPOJZAHBMC-FQEVSTJZSA-N 2 1 419.570 0.833 20 0 HCADMP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604647356 1073840542 /nfs/dbraw/zinc/84/05/42/1073840542.db2.gz RCFPFPOJZAHBMC-HXUWFJFHSA-N 2 1 419.570 0.833 20 0 HCADMP CN1CCC([NH+]2CCC(NC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)CC1 ZINC000604648112 1073841152 /nfs/dbraw/zinc/84/11/52/1073841152.db2.gz RWTUYBPTNCPFCE-NRFANRHFSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CCC(NC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)CC1 ZINC000604648113 1073841233 /nfs/dbraw/zinc/84/12/33/1073841233.db2.gz RWTUYBPTNCPFCE-OAQYLSRUSA-N 2 1 406.619 0.966 20 0 HCADMP CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648138 1073841258 /nfs/dbraw/zinc/84/12/58/1073841258.db2.gz VPMUOQQOFIQOGH-FQEVSTJZSA-N 2 1 422.618 0.251 20 0 HCADMP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648139 1073841115 /nfs/dbraw/zinc/84/11/15/1073841115.db2.gz VPMUOQQOFIQOGH-HXUWFJFHSA-N 2 1 422.618 0.251 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649534 1073841600 /nfs/dbraw/zinc/84/16/00/1073841600.db2.gz LEPPQQOECBYOCK-MOPGFXCFSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604649534 1073841596 /nfs/dbraw/zinc/84/15/96/1073841596.db2.gz LEPPQQOECBYOCK-MOPGFXCFSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604649534 1073841594 /nfs/dbraw/zinc/84/15/94/1073841594.db2.gz LEPPQQOECBYOCK-MOPGFXCFSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649535 1073841758 /nfs/dbraw/zinc/84/17/58/1073841758.db2.gz LEPPQQOECBYOCK-OALUTQOASA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604649535 1073841755 /nfs/dbraw/zinc/84/17/55/1073841755.db2.gz LEPPQQOECBYOCK-OALUTQOASA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604649535 1073841753 /nfs/dbraw/zinc/84/17/53/1073841753.db2.gz LEPPQQOECBYOCK-OALUTQOASA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649536 1073841705 /nfs/dbraw/zinc/84/17/05/1073841705.db2.gz LEPPQQOECBYOCK-RBUKOAKNSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604649536 1073841699 /nfs/dbraw/zinc/84/16/99/1073841699.db2.gz LEPPQQOECBYOCK-RBUKOAKNSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604649536 1073841697 /nfs/dbraw/zinc/84/16/97/1073841697.db2.gz LEPPQQOECBYOCK-RBUKOAKNSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649537 1073841545 /nfs/dbraw/zinc/84/15/45/1073841545.db2.gz LEPPQQOECBYOCK-RTBURBONSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604649537 1073841544 /nfs/dbraw/zinc/84/15/44/1073841544.db2.gz LEPPQQOECBYOCK-RTBURBONSA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604649537 1073841543 /nfs/dbraw/zinc/84/15/43/1073841543.db2.gz LEPPQQOECBYOCK-RTBURBONSA-N 2 1 408.591 0.351 20 0 HCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604652529 1073827841 /nfs/dbraw/zinc/82/78/41/1073827841.db2.gz XWLVOEJMVXIYNR-IBGZPJMESA-N 2 1 409.575 0.337 20 0 HCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604652530 1073827815 /nfs/dbraw/zinc/82/78/15/1073827815.db2.gz XWLVOEJMVXIYNR-LJQANCHMSA-N 2 1 409.575 0.337 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604653388 1073827692 /nfs/dbraw/zinc/82/76/92/1073827692.db2.gz SMOJFQFDPMNLGN-GOSISDBHSA-N 2 1 411.591 0.582 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604653389 1073827778 /nfs/dbraw/zinc/82/77/78/1073827778.db2.gz SMOJFQFDPMNLGN-SFHVURJKSA-N 2 1 411.591 0.582 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604653863 1073828285 /nfs/dbraw/zinc/82/82/85/1073828285.db2.gz TUACSIKLCDGFSY-IBGZPJMESA-N 2 1 408.591 0.351 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604653864 1073828232 /nfs/dbraw/zinc/82/82/32/1073828232.db2.gz TUACSIKLCDGFSY-LJQANCHMSA-N 2 1 408.591 0.351 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000604667838 1073834372 /nfs/dbraw/zinc/83/43/72/1073834372.db2.gz LUPCEFUDFQVXQA-FQEVSTJZSA-N 2 1 409.575 0.147 20 0 HCADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668116 1073833387 /nfs/dbraw/zinc/83/33/87/1073833387.db2.gz SHSZFYYVONQICN-FQEVSTJZSA-N 2 1 404.559 0.561 20 0 HCADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668117 1073833533 /nfs/dbraw/zinc/83/35/33/1073833533.db2.gz SHSZFYYVONQICN-HXUWFJFHSA-N 2 1 404.559 0.561 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668248 1073832980 /nfs/dbraw/zinc/83/29/80/1073832980.db2.gz WCKKXMJKCWOGIC-LEWJYISDSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668248 1073832979 /nfs/dbraw/zinc/83/29/79/1073832979.db2.gz WCKKXMJKCWOGIC-LEWJYISDSA-N 2 1 422.618 0.204 20 0 HCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668248 1073832976 /nfs/dbraw/zinc/83/29/76/1073832976.db2.gz WCKKXMJKCWOGIC-LEWJYISDSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668249 1073832803 /nfs/dbraw/zinc/83/28/03/1073832803.db2.gz WCKKXMJKCWOGIC-NHCUHLMSSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668249 1073832802 /nfs/dbraw/zinc/83/28/02/1073832802.db2.gz WCKKXMJKCWOGIC-NHCUHLMSSA-N 2 1 422.618 0.204 20 0 HCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668249 1073832795 /nfs/dbraw/zinc/83/27/95/1073832795.db2.gz WCKKXMJKCWOGIC-NHCUHLMSSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668250 1073832829 /nfs/dbraw/zinc/83/28/29/1073832829.db2.gz WCKKXMJKCWOGIC-RTWAWAEBSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668250 1073832827 /nfs/dbraw/zinc/83/28/27/1073832827.db2.gz WCKKXMJKCWOGIC-RTWAWAEBSA-N 2 1 422.618 0.204 20 0 HCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668250 1073832826 /nfs/dbraw/zinc/83/28/26/1073832826.db2.gz WCKKXMJKCWOGIC-RTWAWAEBSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668251 1073832946 /nfs/dbraw/zinc/83/29/46/1073832946.db2.gz WCKKXMJKCWOGIC-SFTDATJTSA-N 2 1 422.618 0.204 20 0 HCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668251 1073832945 /nfs/dbraw/zinc/83/29/45/1073832945.db2.gz WCKKXMJKCWOGIC-SFTDATJTSA-N 2 1 422.618 0.204 20 0 HCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668251 1073832943 /nfs/dbraw/zinc/83/29/43/1073832943.db2.gz WCKKXMJKCWOGIC-SFTDATJTSA-N 2 1 422.618 0.204 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000604668491 1073832233 /nfs/dbraw/zinc/83/22/33/1073832233.db2.gz DAOBPWKEQSDFIR-NRFANRHFSA-N 2 1 423.602 0.537 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000604668492 1073832299 /nfs/dbraw/zinc/83/22/99/1073832299.db2.gz DAOBPWKEQSDFIR-OAQYLSRUSA-N 2 1 423.602 0.537 20 0 HCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668493 1073832385 /nfs/dbraw/zinc/83/23/85/1073832385.db2.gz DERWJGFILAJQII-IBGZPJMESA-N 2 1 410.607 0.060 20 0 HCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668493 1073832383 /nfs/dbraw/zinc/83/23/83/1073832383.db2.gz DERWJGFILAJQII-IBGZPJMESA-N 2 1 410.607 0.060 20 0 HCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668493 1073832380 /nfs/dbraw/zinc/83/23/80/1073832380.db2.gz DERWJGFILAJQII-IBGZPJMESA-N 2 1 410.607 0.060 20 0 HCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604668494 1073832453 /nfs/dbraw/zinc/83/24/53/1073832453.db2.gz DERWJGFILAJQII-LJQANCHMSA-N 2 1 410.607 0.060 20 0 HCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668494 1073832450 /nfs/dbraw/zinc/83/24/50/1073832450.db2.gz DERWJGFILAJQII-LJQANCHMSA-N 2 1 410.607 0.060 20 0 HCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668494 1073832443 /nfs/dbraw/zinc/83/24/43/1073832443.db2.gz DERWJGFILAJQII-LJQANCHMSA-N 2 1 410.607 0.060 20 0 HCADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC000604668853 1073835588 /nfs/dbraw/zinc/83/55/88/1073835588.db2.gz MMBAPIKKSMANJD-GOSISDBHSA-N 2 1 418.542 0.328 20 0 HCADMP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC000604668854 1073835681 /nfs/dbraw/zinc/83/56/81/1073835681.db2.gz MMBAPIKKSMANJD-SFHVURJKSA-N 2 1 418.542 0.328 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000604668975 1073835015 /nfs/dbraw/zinc/83/50/15/1073835015.db2.gz PRDPYHQUQGJVRL-JOCHJYFZSA-N 2 1 415.582 0.963 20 0 HCADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000604668975 1073835012 /nfs/dbraw/zinc/83/50/12/1073835012.db2.gz PRDPYHQUQGJVRL-JOCHJYFZSA-N 2 1 415.582 0.963 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000604668976 1073834922 /nfs/dbraw/zinc/83/49/22/1073834922.db2.gz PRDPYHQUQGJVRL-QFIPXVFZSA-N 2 1 415.582 0.963 20 0 HCADMP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000604668976 1073834918 /nfs/dbraw/zinc/83/49/18/1073834918.db2.gz PRDPYHQUQGJVRL-QFIPXVFZSA-N 2 1 415.582 0.963 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604669009 1073835487 /nfs/dbraw/zinc/83/54/87/1073835487.db2.gz QTFCYEPASWRESJ-CGXNFDGLSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604669009 1073835483 /nfs/dbraw/zinc/83/54/83/1073835483.db2.gz QTFCYEPASWRESJ-CGXNFDGLSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669010 1073835544 /nfs/dbraw/zinc/83/55/44/1073835544.db2.gz QTFCYEPASWRESJ-MHTWAQMVSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669010 1073835541 /nfs/dbraw/zinc/83/55/41/1073835541.db2.gz QTFCYEPASWRESJ-MHTWAQMVSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669010 1073835537 /nfs/dbraw/zinc/83/55/37/1073835537.db2.gz QTFCYEPASWRESJ-MHTWAQMVSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669010 1073835534 /nfs/dbraw/zinc/83/55/34/1073835534.db2.gz QTFCYEPASWRESJ-MHTWAQMVSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604669011 1073835699 /nfs/dbraw/zinc/83/56/99/1073835699.db2.gz QTFCYEPASWRESJ-NCYKPQTJSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604669011 1073835697 /nfs/dbraw/zinc/83/56/97/1073835697.db2.gz QTFCYEPASWRESJ-NCYKPQTJSA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669012 1073835574 /nfs/dbraw/zinc/83/55/74/1073835574.db2.gz QTFCYEPASWRESJ-WOZUAGRISA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669012 1073835572 /nfs/dbraw/zinc/83/55/72/1073835572.db2.gz QTFCYEPASWRESJ-WOZUAGRISA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669012 1073835568 /nfs/dbraw/zinc/83/55/68/1073835568.db2.gz QTFCYEPASWRESJ-WOZUAGRISA-N 2 1 423.602 0.676 20 0 HCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604669012 1073835561 /nfs/dbraw/zinc/83/55/61/1073835561.db2.gz QTFCYEPASWRESJ-WOZUAGRISA-N 2 1 423.602 0.676 20 0 HCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681754 1073845105 /nfs/dbraw/zinc/84/51/05/1073845105.db2.gz GOARAWJCAZDWGR-IBGZPJMESA-N 2 1 417.554 0.804 20 0 HCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681755 1073845037 /nfs/dbraw/zinc/84/50/37/1073845037.db2.gz GOARAWJCAZDWGR-LJQANCHMSA-N 2 1 417.554 0.804 20 0 HCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682160 1073846659 /nfs/dbraw/zinc/84/66/59/1073846659.db2.gz YJXCAXMIHYDMGZ-IBGZPJMESA-N 2 1 417.554 0.804 20 0 HCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682161 1073846584 /nfs/dbraw/zinc/84/65/84/1073846584.db2.gz YJXCAXMIHYDMGZ-LJQANCHMSA-N 2 1 417.554 0.804 20 0 HCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682483 1073846139 /nfs/dbraw/zinc/84/61/39/1073846139.db2.gz MVHMRBDDJJINQW-GOSISDBHSA-N 2 1 417.554 0.934 20 0 HCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682484 1073846182 /nfs/dbraw/zinc/84/61/82/1073846182.db2.gz MVHMRBDDJJINQW-SFHVURJKSA-N 2 1 417.554 0.934 20 0 HCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682575 1073845465 /nfs/dbraw/zinc/84/54/65/1073845465.db2.gz PUEDCCWQNKQIDF-FQEVSTJZSA-N 2 1 401.555 0.968 20 0 HCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682576 1073845527 /nfs/dbraw/zinc/84/55/27/1073845527.db2.gz PUEDCCWQNKQIDF-HXUWFJFHSA-N 2 1 401.555 0.968 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000604866353 1073861201 /nfs/dbraw/zinc/86/12/01/1073861201.db2.gz MZSXJDDFKUXULX-UHFFFAOYSA-N 2 1 401.555 0.869 20 0 HCADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCCOC(C)(C)C3)CC2)CCCO1 ZINC000604999741 1073878044 /nfs/dbraw/zinc/87/80/44/1073878044.db2.gz LYDGKSJBXJYKCR-UHFFFAOYSA-N 2 1 424.586 0.659 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000605233674 1073940911 /nfs/dbraw/zinc/94/09/11/1073940911.db2.gz VPSUFRABQYSMFL-PMACEKPBSA-N 2 1 418.586 0.984 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000605233675 1073941340 /nfs/dbraw/zinc/94/13/40/1073941340.db2.gz VPSUFRABQYSMFL-UXHICEINSA-N 2 1 418.586 0.984 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000605233676 1073941429 /nfs/dbraw/zinc/94/14/29/1073941429.db2.gz VPSUFRABQYSMFL-VQTJNVASSA-N 2 1 418.586 0.984 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000605233677 1073941041 /nfs/dbraw/zinc/94/10/41/1073941041.db2.gz VPSUFRABQYSMFL-WOJBJXKFSA-N 2 1 418.586 0.984 20 0 HCADMP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000605239551 1073912646 /nfs/dbraw/zinc/91/26/46/1073912646.db2.gz CIAJXMDIFQOAAX-UHFFFAOYSA-N 2 1 403.527 0.861 20 0 HCADMP CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000605239798 1073912667 /nfs/dbraw/zinc/91/26/67/1073912667.db2.gz PNABQZBQNJCUBZ-UHFFFAOYSA-N 2 1 419.526 0.479 20 0 HCADMP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000605239841 1073912654 /nfs/dbraw/zinc/91/26/54/1073912654.db2.gz ZJZWTUOJJNILMT-UHFFFAOYSA-N 2 1 403.527 0.861 20 0 HCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605239988 1073911528 /nfs/dbraw/zinc/91/15/28/1073911528.db2.gz MKEBEPCOOXHONZ-IBGZPJMESA-N 2 1 415.538 0.923 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605239989 1073911737 /nfs/dbraw/zinc/91/17/37/1073911737.db2.gz MKEBEPCOOXHONZ-LJQANCHMSA-N 2 1 415.538 0.923 20 0 HCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605240149 1073911891 /nfs/dbraw/zinc/91/18/91/1073911891.db2.gz ABBNXDFTBKGFNE-HNNXBMFYSA-N 2 1 403.483 0.695 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605240150 1073911976 /nfs/dbraw/zinc/91/19/76/1073911976.db2.gz ABBNXDFTBKGFNE-OAHLLOKOSA-N 2 1 403.483 0.695 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000605240633 1073914605 /nfs/dbraw/zinc/91/46/05/1073914605.db2.gz TWLQYIQSOHIHSQ-UHFFFAOYSA-N 2 1 401.511 0.615 20 0 HCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000605240666 1073913169 /nfs/dbraw/zinc/91/31/69/1073913169.db2.gz XXDYICOOZWOXIM-UHFFFAOYSA-N 2 1 401.511 0.154 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000605241932 1073915175 /nfs/dbraw/zinc/91/51/75/1073915175.db2.gz XHOVROMMKWPMAR-IBGZPJMESA-N 2 1 415.538 0.859 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000605241933 1073915345 /nfs/dbraw/zinc/91/53/45/1073915345.db2.gz XHOVROMMKWPMAR-LJQANCHMSA-N 2 1 415.538 0.859 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)C1CC1 ZINC000605242263 1073917164 /nfs/dbraw/zinc/91/71/64/1073917164.db2.gz SLGBSVAERYDUOY-IBGZPJMESA-N 2 1 415.538 0.859 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)C1CC1 ZINC000605242264 1073917133 /nfs/dbraw/zinc/91/71/33/1073917133.db2.gz SLGBSVAERYDUOY-LJQANCHMSA-N 2 1 415.538 0.859 20 0 HCADMP C[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000605243242 1073917716 /nfs/dbraw/zinc/91/77/16/1073917716.db2.gz MJHZWEUUCJXWJJ-INIZCTEOSA-N 2 1 401.511 0.613 20 0 HCADMP C[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000605243242 1073917705 /nfs/dbraw/zinc/91/77/05/1073917705.db2.gz MJHZWEUUCJXWJJ-INIZCTEOSA-N 2 1 401.511 0.613 20 0 HCADMP C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000605243242 1073917691 /nfs/dbraw/zinc/91/76/91/1073917691.db2.gz MJHZWEUUCJXWJJ-INIZCTEOSA-N 2 1 401.511 0.613 20 0 HCADMP C[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000605243243 1073918124 /nfs/dbraw/zinc/91/81/24/1073918124.db2.gz MJHZWEUUCJXWJJ-MRXNPFEDSA-N 2 1 401.511 0.613 20 0 HCADMP C[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000605243243 1073918116 /nfs/dbraw/zinc/91/81/16/1073918116.db2.gz MJHZWEUUCJXWJJ-MRXNPFEDSA-N 2 1 401.511 0.613 20 0 HCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000605243243 1073918107 /nfs/dbraw/zinc/91/81/07/1073918107.db2.gz MJHZWEUUCJXWJJ-MRXNPFEDSA-N 2 1 401.511 0.613 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000605243543 1073918724 /nfs/dbraw/zinc/91/87/24/1073918724.db2.gz WIKAZDLEZCJWLN-UHFFFAOYSA-N 2 1 401.511 0.613 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000605243543 1073918719 /nfs/dbraw/zinc/91/87/19/1073918719.db2.gz WIKAZDLEZCJWLN-UHFFFAOYSA-N 2 1 401.511 0.613 20 0 HCADMP C[NH+](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)C1CC1 ZINC000605243679 1073919190 /nfs/dbraw/zinc/91/91/90/1073919190.db2.gz RUKFHQDZSSZWHJ-UHFFFAOYSA-N 2 1 401.511 0.613 20 0 HCADMP C[NH+](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C1CC1 ZINC000605243679 1073919182 /nfs/dbraw/zinc/91/91/82/1073919182.db2.gz RUKFHQDZSSZWHJ-UHFFFAOYSA-N 2 1 401.511 0.613 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1)C1CC1 ZINC000605243679 1073919178 /nfs/dbraw/zinc/91/91/78/1073919178.db2.gz RUKFHQDZSSZWHJ-UHFFFAOYSA-N 2 1 401.511 0.613 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000605243688 1073918846 /nfs/dbraw/zinc/91/88/46/1073918846.db2.gz SXXDHVBJIVSSCH-UHFFFAOYSA-N 2 1 401.511 0.152 20 0 HCADMP C[N@H+](CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000605243688 1073918834 /nfs/dbraw/zinc/91/88/34/1073918834.db2.gz SXXDHVBJIVSSCH-UHFFFAOYSA-N 2 1 401.511 0.152 20 0 HCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000605243758 1073918040 /nfs/dbraw/zinc/91/80/40/1073918040.db2.gz IDJMLIHEJYKLMB-UHFFFAOYSA-N 2 1 423.489 0.493 20 0 HCADMP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000605243758 1073918029 /nfs/dbraw/zinc/91/80/29/1073918029.db2.gz IDJMLIHEJYKLMB-UHFFFAOYSA-N 2 1 423.489 0.493 20 0 HCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605245790 1073920043 /nfs/dbraw/zinc/92/00/43/1073920043.db2.gz XBCOOHZHWUKWIU-UHFFFAOYSA-N 2 1 403.527 0.861 20 0 HCADMP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605245790 1073920037 /nfs/dbraw/zinc/92/00/37/1073920037.db2.gz XBCOOHZHWUKWIU-UHFFFAOYSA-N 2 1 403.527 0.861 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCOC)cc2)CC1 ZINC000605246186 1073920011 /nfs/dbraw/zinc/92/00/11/1073920011.db2.gz BLOSDYPNNUYDMT-UHFFFAOYSA-N 2 1 419.526 0.097 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCOC)cc2)CC1 ZINC000605246186 1073920007 /nfs/dbraw/zinc/92/00/07/1073920007.db2.gz BLOSDYPNNUYDMT-UHFFFAOYSA-N 2 1 419.526 0.097 20 0 HCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246681 1073920756 /nfs/dbraw/zinc/92/07/56/1073920756.db2.gz FTNMYTUZZVYYFP-INIZCTEOSA-N 2 1 403.527 0.859 20 0 HCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246681 1073920752 /nfs/dbraw/zinc/92/07/52/1073920752.db2.gz FTNMYTUZZVYYFP-INIZCTEOSA-N 2 1 403.527 0.859 20 0 HCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246682 1073920672 /nfs/dbraw/zinc/92/06/72/1073920672.db2.gz FTNMYTUZZVYYFP-MRXNPFEDSA-N 2 1 403.527 0.859 20 0 HCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246682 1073920658 /nfs/dbraw/zinc/92/06/58/1073920658.db2.gz FTNMYTUZZVYYFP-MRXNPFEDSA-N 2 1 403.527 0.859 20 0 HCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605246799 1073921060 /nfs/dbraw/zinc/92/10/60/1073921060.db2.gz OUJWYFVITHHUAZ-AWEZNQCLSA-N 2 1 405.499 0.941 20 0 HCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605246800 1073920701 /nfs/dbraw/zinc/92/07/01/1073920701.db2.gz OUJWYFVITHHUAZ-CQSZACIVSA-N 2 1 405.499 0.941 20 0 HCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000605246930 1073921018 /nfs/dbraw/zinc/92/10/18/1073921018.db2.gz AVAQFDHVLQDDNW-UHFFFAOYSA-N 2 1 417.554 0.788 20 0 HCADMP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000605246930 1073921012 /nfs/dbraw/zinc/92/10/12/1073921012.db2.gz AVAQFDHVLQDDNW-UHFFFAOYSA-N 2 1 417.554 0.788 20 0 HCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000605247166 1073920080 /nfs/dbraw/zinc/92/00/80/1073920080.db2.gz FJNMQNDCFMQBHK-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000605247166 1073920076 /nfs/dbraw/zinc/92/00/76/1073920076.db2.gz FJNMQNDCFMQBHK-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000605247356 1073922085 /nfs/dbraw/zinc/92/20/85/1073922085.db2.gz CMZRJBZLXIDLQK-UHFFFAOYSA-N 2 1 415.538 0.542 20 0 HCADMP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000605247356 1073922073 /nfs/dbraw/zinc/92/20/73/1073922073.db2.gz CMZRJBZLXIDLQK-UHFFFAOYSA-N 2 1 415.538 0.542 20 0 HCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C1CC1 ZINC000605247408 1073923629 /nfs/dbraw/zinc/92/36/29/1073923629.db2.gz MKHNOPKHIGMXQW-UHFFFAOYSA-N 2 1 403.483 0.695 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc2)CC1 ZINC000605247559 1073923603 /nfs/dbraw/zinc/92/36/03/1073923603.db2.gz MANMEHDVKSIKAU-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc2)CC1 ZINC000605247559 1073923594 /nfs/dbraw/zinc/92/35/94/1073923594.db2.gz MANMEHDVKSIKAU-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605247667 1073922656 /nfs/dbraw/zinc/92/26/56/1073922656.db2.gz DFHYATYVHBQCDG-UHFFFAOYSA-N 2 1 403.527 0.779 20 0 HCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000605247702 1073922868 /nfs/dbraw/zinc/92/28/68/1073922868.db2.gz KJIZQBCTZBRHRX-UHFFFAOYSA-N 2 1 403.527 0.398 20 0 HCADMP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000605247702 1073922859 /nfs/dbraw/zinc/92/28/59/1073922859.db2.gz KJIZQBCTZBRHRX-UHFFFAOYSA-N 2 1 403.527 0.398 20 0 HCADMP CC(C)[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000605247744 1073922767 /nfs/dbraw/zinc/92/27/67/1073922767.db2.gz PYQXXESEXPFQPB-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC(C)[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000605247744 1073922762 /nfs/dbraw/zinc/92/27/62/1073922762.db2.gz PYQXXESEXPFQPB-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000605247744 1073922756 /nfs/dbraw/zinc/92/27/56/1073922756.db2.gz PYQXXESEXPFQPB-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000605248325 1073925501 /nfs/dbraw/zinc/92/55/01/1073925501.db2.gz HRYBNOIIYOFOOI-FQEVSTJZSA-N 2 1 417.554 0.600 20 0 HCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000605248326 1073925596 /nfs/dbraw/zinc/92/55/96/1073925596.db2.gz HRYBNOIIYOFOOI-HXUWFJFHSA-N 2 1 417.554 0.600 20 0 HCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000605248335 1073925682 /nfs/dbraw/zinc/92/56/82/1073925682.db2.gz IBCAFTLVKHXDMA-FQEVSTJZSA-N 2 1 418.538 0.727 20 0 HCADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000605248335 1073925666 /nfs/dbraw/zinc/92/56/66/1073925666.db2.gz IBCAFTLVKHXDMA-FQEVSTJZSA-N 2 1 418.538 0.727 20 0 HCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000605248336 1073925524 /nfs/dbraw/zinc/92/55/24/1073925524.db2.gz IBCAFTLVKHXDMA-HXUWFJFHSA-N 2 1 418.538 0.727 20 0 HCADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000605248336 1073925517 /nfs/dbraw/zinc/92/55/17/1073925517.db2.gz IBCAFTLVKHXDMA-HXUWFJFHSA-N 2 1 418.538 0.727 20 0 HCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[N@@H+](C)C1CC1 ZINC000605249543 1073926518 /nfs/dbraw/zinc/92/65/18/1073926518.db2.gz LYCYOVIVPPVGLQ-HNNXBMFYSA-N 2 1 415.538 0.921 20 0 HCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[N@@H+](C)C1CC1 ZINC000605249544 1073926321 /nfs/dbraw/zinc/92/63/21/1073926321.db2.gz LYCYOVIVPPVGLQ-OAHLLOKOSA-N 2 1 415.538 0.921 20 0 HCADMP C[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[N@@H+](C)C1CC1 ZINC000605249545 1073926715 /nfs/dbraw/zinc/92/67/15/1073926715.db2.gz MCTRGUGGYJLSOG-CYBMUJFWSA-N 2 1 403.483 0.694 20 0 HCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[N@@H+](C)C1CC1 ZINC000605249546 1073926603 /nfs/dbraw/zinc/92/66/03/1073926603.db2.gz MCTRGUGGYJLSOG-ZDUSSCGKSA-N 2 1 403.483 0.694 20 0 HCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000605249777 1073925264 /nfs/dbraw/zinc/92/52/64/1073925264.db2.gz MHQUVDOAHNCYBT-HNNXBMFYSA-N 2 1 401.511 0.612 20 0 HCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[N@H+](C)C1CC1 ZINC000605249777 1073925252 /nfs/dbraw/zinc/92/52/52/1073925252.db2.gz MHQUVDOAHNCYBT-HNNXBMFYSA-N 2 1 401.511 0.612 20 0 HCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000605249778 1073926402 /nfs/dbraw/zinc/92/64/02/1073926402.db2.gz MHQUVDOAHNCYBT-OAHLLOKOSA-N 2 1 401.511 0.612 20 0 HCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[N@H+](C)C1CC1 ZINC000605249778 1073926387 /nfs/dbraw/zinc/92/63/87/1073926387.db2.gz MHQUVDOAHNCYBT-OAHLLOKOSA-N 2 1 401.511 0.612 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403828 1073987850 /nfs/dbraw/zinc/98/78/50/1073987850.db2.gz LIGMXNUWESQEHJ-DENIHFKCSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403828 1073987835 /nfs/dbraw/zinc/98/78/35/1073987835.db2.gz LIGMXNUWESQEHJ-DENIHFKCSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403828 1073987820 /nfs/dbraw/zinc/98/78/20/1073987820.db2.gz LIGMXNUWESQEHJ-DENIHFKCSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403829 1073988036 /nfs/dbraw/zinc/98/80/36/1073988036.db2.gz LIGMXNUWESQEHJ-KNQAVFIVSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403829 1073988024 /nfs/dbraw/zinc/98/80/24/1073988024.db2.gz LIGMXNUWESQEHJ-KNQAVFIVSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403829 1073988019 /nfs/dbraw/zinc/98/80/19/1073988019.db2.gz LIGMXNUWESQEHJ-KNQAVFIVSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403830 1073988123 /nfs/dbraw/zinc/98/81/23/1073988123.db2.gz LIGMXNUWESQEHJ-SIKLNZKXSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403830 1073988111 /nfs/dbraw/zinc/98/81/11/1073988111.db2.gz LIGMXNUWESQEHJ-SIKLNZKXSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403830 1073988095 /nfs/dbraw/zinc/98/80/95/1073988095.db2.gz LIGMXNUWESQEHJ-SIKLNZKXSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403831 1073987727 /nfs/dbraw/zinc/98/77/27/1073987727.db2.gz LIGMXNUWESQEHJ-UGKGYDQZSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403831 1073987711 /nfs/dbraw/zinc/98/77/11/1073987711.db2.gz LIGMXNUWESQEHJ-UGKGYDQZSA-N 2 1 402.539 0.682 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403831 1073987690 /nfs/dbraw/zinc/98/76/90/1073987690.db2.gz LIGMXNUWESQEHJ-UGKGYDQZSA-N 2 1 402.539 0.682 20 0 HCADMP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000605430709 1074004479 /nfs/dbraw/zinc/00/44/79/1074004479.db2.gz ONQRQNLDOGGGFT-UHFFFAOYSA-N 2 1 417.554 0.646 20 0 HCADMP O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000605430919 1074003931 /nfs/dbraw/zinc/00/39/31/1074003931.db2.gz VSOSOUZFDRRMCY-UHFFFAOYSA-N 2 1 418.538 0.463 20 0 HCADMP C[NH+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000605431355 1074003346 /nfs/dbraw/zinc/00/33/46/1074003346.db2.gz AIFZJKTYUDIHSC-KRWDZBQOSA-N 2 1 415.538 0.861 20 0 HCADMP C[NH+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000605431355 1074003334 /nfs/dbraw/zinc/00/33/34/1074003334.db2.gz AIFZJKTYUDIHSC-KRWDZBQOSA-N 2 1 415.538 0.861 20 0 HCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605431355 1074003321 /nfs/dbraw/zinc/00/33/21/1074003321.db2.gz AIFZJKTYUDIHSC-KRWDZBQOSA-N 2 1 415.538 0.861 20 0 HCADMP C[NH+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000605431356 1074003174 /nfs/dbraw/zinc/00/31/74/1074003174.db2.gz AIFZJKTYUDIHSC-QGZVFWFLSA-N 2 1 415.538 0.861 20 0 HCADMP C[NH+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000605431356 1074003165 /nfs/dbraw/zinc/00/31/65/1074003165.db2.gz AIFZJKTYUDIHSC-QGZVFWFLSA-N 2 1 415.538 0.861 20 0 HCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605431356 1074003153 /nfs/dbraw/zinc/00/31/53/1074003153.db2.gz AIFZJKTYUDIHSC-QGZVFWFLSA-N 2 1 415.538 0.861 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)ccc2oc1=O ZINC000605431377 1074003133 /nfs/dbraw/zinc/00/31/33/1074003133.db2.gz CDNWGKFAIJVSCC-AWEZNQCLSA-N 2 1 403.483 0.553 20 0 HCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)ccc2oc1=O ZINC000605431378 1074002952 /nfs/dbraw/zinc/00/29/52/1074002952.db2.gz CDNWGKFAIJVSCC-CQSZACIVSA-N 2 1 403.483 0.553 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000605431519 1073994098 /nfs/dbraw/zinc/99/40/98/1073994098.db2.gz OEAAUDKWAGEQHG-INIZCTEOSA-N 2 1 401.511 0.471 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000605431519 1073994088 /nfs/dbraw/zinc/99/40/88/1073994088.db2.gz OEAAUDKWAGEQHG-INIZCTEOSA-N 2 1 401.511 0.471 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000605431520 1073993750 /nfs/dbraw/zinc/99/37/50/1073993750.db2.gz OEAAUDKWAGEQHG-MRXNPFEDSA-N 2 1 401.511 0.471 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000605431520 1073993741 /nfs/dbraw/zinc/99/37/41/1073993741.db2.gz OEAAUDKWAGEQHG-MRXNPFEDSA-N 2 1 401.511 0.471 20 0 HCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000605431603 1073994044 /nfs/dbraw/zinc/99/40/44/1073994044.db2.gz VSWHBKKQULSQRE-KRWDZBQOSA-N 2 1 415.538 0.780 20 0 HCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000605431604 1073994157 /nfs/dbraw/zinc/99/41/57/1073994157.db2.gz VSWHBKKQULSQRE-QGZVFWFLSA-N 2 1 415.538 0.780 20 0 HCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605557134 1074023286 /nfs/dbraw/zinc/02/32/86/1074023286.db2.gz BYIMSEZDGNKZGQ-AZUAARDMSA-N 2 1 422.570 0.317 20 0 HCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605557140 1074023169 /nfs/dbraw/zinc/02/31/69/1074023169.db2.gz BYIMSEZDGNKZGQ-ICSRJNTNSA-N 2 1 422.570 0.317 20 0 HCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605557142 1074023418 /nfs/dbraw/zinc/02/34/18/1074023418.db2.gz BYIMSEZDGNKZGQ-QUCCMNQESA-N 2 1 422.570 0.317 20 0 HCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605557144 1074023337 /nfs/dbraw/zinc/02/33/37/1074023337.db2.gz BYIMSEZDGNKZGQ-UYAOXDASSA-N 2 1 422.570 0.317 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605597793 1074022934 /nfs/dbraw/zinc/02/29/34/1074022934.db2.gz DGPMZRFWUMNYCA-KRWDZBQOSA-N 2 1 409.575 0.777 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605597794 1074022967 /nfs/dbraw/zinc/02/29/67/1074022967.db2.gz DGPMZRFWUMNYCA-QGZVFWFLSA-N 2 1 409.575 0.777 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000605880551 1074042183 /nfs/dbraw/zinc/04/21/83/1074042183.db2.gz KXAMJESSQFUJRQ-GOSISDBHSA-N 2 1 405.547 0.399 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883763 1074035253 /nfs/dbraw/zinc/03/52/53/1074035253.db2.gz PDCPTEFNSSOJII-PMACEKPBSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883763 1074035243 /nfs/dbraw/zinc/03/52/43/1074035243.db2.gz PDCPTEFNSSOJII-PMACEKPBSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883763 1074035234 /nfs/dbraw/zinc/03/52/34/1074035234.db2.gz PDCPTEFNSSOJII-PMACEKPBSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883784 1074035135 /nfs/dbraw/zinc/03/51/35/1074035135.db2.gz PDCPTEFNSSOJII-UXHICEINSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883784 1074035126 /nfs/dbraw/zinc/03/51/26/1074035126.db2.gz PDCPTEFNSSOJII-UXHICEINSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883784 1074035119 /nfs/dbraw/zinc/03/51/19/1074035119.db2.gz PDCPTEFNSSOJII-UXHICEINSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883796 1074034411 /nfs/dbraw/zinc/03/44/11/1074034411.db2.gz PDCPTEFNSSOJII-VQTJNVASSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883796 1074034399 /nfs/dbraw/zinc/03/43/99/1074034399.db2.gz PDCPTEFNSSOJII-VQTJNVASSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883796 1074034386 /nfs/dbraw/zinc/03/43/86/1074034386.db2.gz PDCPTEFNSSOJII-VQTJNVASSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883803 1074034525 /nfs/dbraw/zinc/03/45/25/1074034525.db2.gz PDCPTEFNSSOJII-WOJBJXKFSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883803 1074034514 /nfs/dbraw/zinc/03/45/14/1074034514.db2.gz PDCPTEFNSSOJII-WOJBJXKFSA-N 2 1 417.554 0.904 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883803 1074034510 /nfs/dbraw/zinc/03/45/10/1074034510.db2.gz PDCPTEFNSSOJII-WOJBJXKFSA-N 2 1 417.554 0.904 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000605957824 1074050096 /nfs/dbraw/zinc/05/00/96/1074050096.db2.gz RREFUERABATEQX-UHFFFAOYSA-N 2 1 409.575 0.731 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605966355 1074050949 /nfs/dbraw/zinc/05/09/49/1074050949.db2.gz COXPPPMLNDTHSN-IBGZPJMESA-N 2 1 409.575 0.683 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605966358 1074050967 /nfs/dbraw/zinc/05/09/67/1074050967.db2.gz COXPPPMLNDTHSN-LJQANCHMSA-N 2 1 409.575 0.683 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605967327 1074051255 /nfs/dbraw/zinc/05/12/55/1074051255.db2.gz FHFURWWOCBPQJW-HKUYNNGSSA-N 2 1 409.575 0.729 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605967328 1074051565 /nfs/dbraw/zinc/05/15/65/1074051565.db2.gz FHFURWWOCBPQJW-IEBWSBKVSA-N 2 1 409.575 0.729 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605967329 1074051285 /nfs/dbraw/zinc/05/12/85/1074051285.db2.gz FHFURWWOCBPQJW-MJGOQNOKSA-N 2 1 409.575 0.729 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605967331 1074051540 /nfs/dbraw/zinc/05/15/40/1074051540.db2.gz FHFURWWOCBPQJW-PKOBYXMFSA-N 2 1 409.575 0.729 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605977217 1074046588 /nfs/dbraw/zinc/04/65/88/1074046588.db2.gz OLOYDASBQUNCHN-AZUAARDMSA-N 2 1 409.575 0.193 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605977221 1074046493 /nfs/dbraw/zinc/04/64/93/1074046493.db2.gz OLOYDASBQUNCHN-ICSRJNTNSA-N 2 1 409.575 0.193 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605977223 1074046453 /nfs/dbraw/zinc/04/64/53/1074046453.db2.gz OLOYDASBQUNCHN-QUCCMNQESA-N 2 1 409.575 0.193 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605977225 1074046668 /nfs/dbraw/zinc/04/66/68/1074046668.db2.gz OLOYDASBQUNCHN-UYAOXDASSA-N 2 1 409.575 0.193 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605978460 1074046931 /nfs/dbraw/zinc/04/69/31/1074046931.db2.gz ZMZATMLYAKDBMX-FQEVSTJZSA-N 2 1 409.575 0.147 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605978461 1074047063 /nfs/dbraw/zinc/04/70/63/1074047063.db2.gz ZMZATMLYAKDBMX-HXUWFJFHSA-N 2 1 409.575 0.147 20 0 HCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000605989558 1074050041 /nfs/dbraw/zinc/05/00/41/1074050041.db2.gz KPBDQQDMYKYLIX-UHFFFAOYSA-N 2 1 405.499 0.354 20 0 HCADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000606010487 1074065775 /nfs/dbraw/zinc/06/57/75/1074065775.db2.gz UWYVIBWFOACKMO-GOSISDBHSA-N 2 1 417.554 0.772 20 0 HCADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000606010491 1074065946 /nfs/dbraw/zinc/06/59/46/1074065946.db2.gz UWYVIBWFOACKMO-SFHVURJKSA-N 2 1 417.554 0.772 20 0 HCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000606020389 1074056685 /nfs/dbraw/zinc/05/66/85/1074056685.db2.gz ZHJFBBRCFLQZKQ-INIZCTEOSA-N 2 1 401.511 0.978 20 0 HCADMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000606020390 1074056716 /nfs/dbraw/zinc/05/67/16/1074056716.db2.gz ZHJFBBRCFLQZKQ-MRXNPFEDSA-N 2 1 401.511 0.978 20 0 HCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000606081478 1074088915 /nfs/dbraw/zinc/08/89/15/1074088915.db2.gz XDHAYHNZINRJCN-UHFFFAOYSA-N 2 1 407.540 0.680 20 0 HCADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000606082045 1074088961 /nfs/dbraw/zinc/08/89/61/1074088961.db2.gz SQZBPADLKUWGSP-GOSISDBHSA-N 2 1 405.543 0.708 20 0 HCADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000606082046 1074088871 /nfs/dbraw/zinc/08/88/71/1074088871.db2.gz SQZBPADLKUWGSP-SFHVURJKSA-N 2 1 405.543 0.708 20 0 HCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000606093141 1074110722 /nfs/dbraw/zinc/11/07/22/1074110722.db2.gz QIXBQFFKCSNWDG-UHFFFAOYSA-N 2 1 401.511 0.980 20 0 HCADMP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000606093141 1074110715 /nfs/dbraw/zinc/11/07/15/1074110715.db2.gz QIXBQFFKCSNWDG-UHFFFAOYSA-N 2 1 401.511 0.980 20 0 HCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000606106211 1074119106 /nfs/dbraw/zinc/11/91/06/1074119106.db2.gz PCRLIYKEEZENMX-UHFFFAOYSA-N 2 1 405.543 0.839 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000606106743 1074118314 /nfs/dbraw/zinc/11/83/14/1074118314.db2.gz HMEAEVICVHIQTH-INIZCTEOSA-N 2 1 401.511 0.471 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000606106743 1074118311 /nfs/dbraw/zinc/11/83/11/1074118311.db2.gz HMEAEVICVHIQTH-INIZCTEOSA-N 2 1 401.511 0.471 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000606106745 1074118458 /nfs/dbraw/zinc/11/84/58/1074118458.db2.gz HMEAEVICVHIQTH-MRXNPFEDSA-N 2 1 401.511 0.471 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000606106745 1074118453 /nfs/dbraw/zinc/11/84/53/1074118453.db2.gz HMEAEVICVHIQTH-MRXNPFEDSA-N 2 1 401.511 0.471 20 0 HCADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000606107914 1074119076 /nfs/dbraw/zinc/11/90/76/1074119076.db2.gz HAPXNKWWWBWICS-INIZCTEOSA-N 2 1 403.527 0.765 20 0 HCADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000606107915 1074119158 /nfs/dbraw/zinc/11/91/58/1074119158.db2.gz HAPXNKWWWBWICS-MRXNPFEDSA-N 2 1 403.527 0.765 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000606109984 1074121897 /nfs/dbraw/zinc/12/18/97/1074121897.db2.gz JPZOEFSYIQALRJ-UHFFFAOYSA-N 2 1 424.505 0.448 20 0 HCADMP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000606112402 1074124985 /nfs/dbraw/zinc/12/49/85/1074124985.db2.gz DVTCUCOMTBYQPT-UHFFFAOYSA-N 2 1 415.538 0.861 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000606114339 1074127205 /nfs/dbraw/zinc/12/72/05/1074127205.db2.gz RIGLOWVCXRBOPN-UHFFFAOYSA-N 2 1 415.538 0.861 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000606115572 1074128148 /nfs/dbraw/zinc/12/81/48/1074128148.db2.gz PERLXQIBAGFPGJ-UHFFFAOYSA-N 2 1 415.538 0.400 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000606115607 1074128188 /nfs/dbraw/zinc/12/81/88/1074128188.db2.gz RIVCYXGXDPZTFG-UHFFFAOYSA-N 2 1 415.538 0.861 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000606120746 1074100023 /nfs/dbraw/zinc/10/00/23/1074100023.db2.gz DMFROKNKFXDKRG-IBGZPJMESA-N 2 1 415.538 0.719 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000606120750 1074100375 /nfs/dbraw/zinc/10/03/75/1074100375.db2.gz DMFROKNKFXDKRG-LJQANCHMSA-N 2 1 415.538 0.719 20 0 HCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000606122439 1074105779 /nfs/dbraw/zinc/10/57/79/1074105779.db2.gz WAHAOKGRGGKYQY-INIZCTEOSA-N 2 1 405.499 0.151 20 0 HCADMP C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000606426069 1074182655 /nfs/dbraw/zinc/18/26/55/1074182655.db2.gz WDHXGAGDKNIJBH-IBGZPJMESA-N 2 1 403.571 0.912 20 0 HCADMP C[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000606426070 1074182618 /nfs/dbraw/zinc/18/26/18/1074182618.db2.gz WDHXGAGDKNIJBH-LJQANCHMSA-N 2 1 403.571 0.912 20 0 HCADMP CCO[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438710 1074177234 /nfs/dbraw/zinc/17/72/34/1074177234.db2.gz IJURNHVZUSYWQM-BGYRXZFFSA-N 2 1 424.586 0.659 20 0 HCADMP CCO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438710 1074177226 /nfs/dbraw/zinc/17/72/26/1074177226.db2.gz IJURNHVZUSYWQM-BGYRXZFFSA-N 2 1 424.586 0.659 20 0 HCADMP CCO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438710 1074177220 /nfs/dbraw/zinc/17/72/20/1074177220.db2.gz IJURNHVZUSYWQM-BGYRXZFFSA-N 2 1 424.586 0.659 20 0 HCADMP CCO[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438711 1074177434 /nfs/dbraw/zinc/17/74/34/1074177434.db2.gz IJURNHVZUSYWQM-PMACEKPBSA-N 2 1 424.586 0.659 20 0 HCADMP CCO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](OCC)C3)CC2)C1 ZINC000606438712 1074177569 /nfs/dbraw/zinc/17/75/69/1074177569.db2.gz IJURNHVZUSYWQM-WOJBJXKFSA-N 2 1 424.586 0.659 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606504603 1074190160 /nfs/dbraw/zinc/19/01/60/1074190160.db2.gz UIMAYZIYVVHTQB-IBGZPJMESA-N 2 1 418.586 0.704 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606504604 1074190075 /nfs/dbraw/zinc/19/00/75/1074190075.db2.gz UIMAYZIYVVHTQB-LJQANCHMSA-N 2 1 418.586 0.704 20 0 HCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000606638045 1074200458 /nfs/dbraw/zinc/20/04/58/1074200458.db2.gz PUHKNJHCRCNZJH-UHFFFAOYSA-N 2 1 416.570 0.614 20 0 HCADMP C[C@@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000606668245 1074203507 /nfs/dbraw/zinc/20/35/07/1074203507.db2.gz PXKQATCAZSYWDM-KRWDZBQOSA-N 2 1 405.543 0.746 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000606704728 1074205292 /nfs/dbraw/zinc/20/52/92/1074205292.db2.gz GKJXHPFETHJVLK-IBGZPJMESA-N 2 1 409.575 0.731 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000606704729 1074205465 /nfs/dbraw/zinc/20/54/65/1074205465.db2.gz GKJXHPFETHJVLK-LJQANCHMSA-N 2 1 409.575 0.731 20 0 HCADMP C[C@@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000606717498 1074214187 /nfs/dbraw/zinc/21/41/87/1074214187.db2.gz DOVCLTZTYPRMBZ-IBGZPJMESA-N 2 1 423.602 0.978 20 0 HCADMP C[C@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000606717500 1074213937 /nfs/dbraw/zinc/21/39/37/1074213937.db2.gz DOVCLTZTYPRMBZ-LJQANCHMSA-N 2 1 423.602 0.978 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000606719031 1074215376 /nfs/dbraw/zinc/21/53/76/1074215376.db2.gz RKSCMNNIXYWAFG-UHFFFAOYSA-N 2 1 419.526 0.201 20 0 HCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606725882 1074217177 /nfs/dbraw/zinc/21/71/77/1074217177.db2.gz QIROPUGZIRBCOB-IAGOWNOFSA-N 2 1 406.527 0.929 20 0 HCADMP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606725882 1074217169 /nfs/dbraw/zinc/21/71/69/1074217169.db2.gz QIROPUGZIRBCOB-IAGOWNOFSA-N 2 1 406.527 0.929 20 0 HCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606725884 1074216973 /nfs/dbraw/zinc/21/69/73/1074216973.db2.gz QIROPUGZIRBCOB-IRXDYDNUSA-N 2 1 406.527 0.929 20 0 HCADMP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606725884 1074216958 /nfs/dbraw/zinc/21/69/58/1074216958.db2.gz QIROPUGZIRBCOB-IRXDYDNUSA-N 2 1 406.527 0.929 20 0 HCADMP Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000606750083 1074223462 /nfs/dbraw/zinc/22/34/62/1074223462.db2.gz WPUKSNDMXKAKDL-KRWDZBQOSA-N 2 1 406.527 0.958 20 0 HCADMP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000606750084 1074223634 /nfs/dbraw/zinc/22/36/34/1074223634.db2.gz WPUKSNDMXKAKDL-QGZVFWFLSA-N 2 1 406.527 0.958 20 0 HCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606755388 1074226714 /nfs/dbraw/zinc/22/67/14/1074226714.db2.gz XRSDJNVSFOGTNT-KRWDZBQOSA-N 2 1 417.510 0.893 20 0 HCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606755388 1074226704 /nfs/dbraw/zinc/22/67/04/1074226704.db2.gz XRSDJNVSFOGTNT-KRWDZBQOSA-N 2 1 417.510 0.893 20 0 HCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606755399 1074226224 /nfs/dbraw/zinc/22/62/24/1074226224.db2.gz XRSDJNVSFOGTNT-QGZVFWFLSA-N 2 1 417.510 0.893 20 0 HCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000606755399 1074226216 /nfs/dbraw/zinc/22/62/16/1074226216.db2.gz XRSDJNVSFOGTNT-QGZVFWFLSA-N 2 1 417.510 0.893 20 0 HCADMP OCC[NH+]1CCCN(c2nc3ccccc3c(N3CCC[N@@H+](CCO)CC3)n2)CC1 ZINC000606892938 1074244195 /nfs/dbraw/zinc/24/41/95/1074244195.db2.gz TVSSAIPSXPBDDJ-UHFFFAOYSA-N 2 1 414.554 0.639 20 0 HCADMP OCC[NH+]1CCCN(c2nc3ccccc3c(N3CCC[N@H+](CCO)CC3)n2)CC1 ZINC000606892938 1074244183 /nfs/dbraw/zinc/24/41/83/1074244183.db2.gz TVSSAIPSXPBDDJ-UHFFFAOYSA-N 2 1 414.554 0.639 20 0 HCADMP OCC[NH+]1CCCN(c2nc(N3CCC[N@H+](CCO)CC3)nc3ccccc32)CC1 ZINC000606892938 1074244173 /nfs/dbraw/zinc/24/41/73/1074244173.db2.gz TVSSAIPSXPBDDJ-UHFFFAOYSA-N 2 1 414.554 0.639 20 0 HCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000607052826 1074262605 /nfs/dbraw/zinc/26/26/05/1074262605.db2.gz ANVAPSHPYLWNCP-IBGZPJMESA-N 2 1 404.559 0.898 20 0 HCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000607052827 1074262403 /nfs/dbraw/zinc/26/24/03/1074262403.db2.gz ANVAPSHPYLWNCP-LJQANCHMSA-N 2 1 404.559 0.898 20 0 HCADMP CS(=O)(=O)N1CCC[NH+](CCCCC[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000607150614 1074277792 /nfs/dbraw/zinc/27/77/92/1074277792.db2.gz TXIRUXUFRFNEMW-UHFFFAOYSA-N 2 1 424.633 0.091 20 0 HCADMP CS(=O)(=O)N[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151129 1074277678 /nfs/dbraw/zinc/27/76/78/1074277678.db2.gz FVIBEFXMMZFEBQ-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151129 1074277671 /nfs/dbraw/zinc/27/76/71/1074277671.db2.gz FVIBEFXMMZFEBQ-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151129 1074277662 /nfs/dbraw/zinc/27/76/62/1074277662.db2.gz FVIBEFXMMZFEBQ-CALCHBBNSA-N 2 1 424.633 0.184 20 0 HCADMP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000607151130 1074277718 /nfs/dbraw/zinc/27/77/18/1074277718.db2.gz FVIBEFXMMZFEBQ-IAGOWNOFSA-N 2 1 424.633 0.184 20 0 HCADMP CS(=O)(=O)N[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151131 1074277861 /nfs/dbraw/zinc/27/78/61/1074277861.db2.gz FVIBEFXMMZFEBQ-IRXDYDNUSA-N 2 1 424.633 0.184 20 0 HCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000607229227 1074288207 /nfs/dbraw/zinc/28/82/07/1074288207.db2.gz LMPOFKOGCBSRIJ-UHFFFAOYSA-N 2 1 404.559 0.822 20 0 HCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000607229903 1074288067 /nfs/dbraw/zinc/28/80/67/1074288067.db2.gz CEUIPCXWTYAWES-UHFFFAOYSA-N 2 1 419.574 0.477 20 0 HCADMP C[N@H+](CCCO)C1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000607229903 1074288052 /nfs/dbraw/zinc/28/80/52/1074288052.db2.gz CEUIPCXWTYAWES-UHFFFAOYSA-N 2 1 419.574 0.477 20 0 HCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000607230479 1074288166 /nfs/dbraw/zinc/28/81/66/1074288166.db2.gz ODLHYVKIHNWFDG-UHFFFAOYSA-N 2 1 404.559 0.822 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000607240558 1074289792 /nfs/dbraw/zinc/28/97/92/1074289792.db2.gz MIJBREDDLOFIMK-UHFFFAOYSA-N 2 1 419.570 0.966 20 0 HCADMP C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000607269531 1074301197 /nfs/dbraw/zinc/30/11/97/1074301197.db2.gz LXGGMJGHGQISFY-UHFFFAOYSA-N 2 1 404.511 0.073 20 0 HCADMP C[C@@H](c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000607269616 1074301232 /nfs/dbraw/zinc/30/12/32/1074301232.db2.gz IVDZFYAWPKORTN-INIZCTEOSA-N 2 1 404.511 0.591 20 0 HCADMP C[C@H](c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000607269617 1074301185 /nfs/dbraw/zinc/30/11/85/1074301185.db2.gz IVDZFYAWPKORTN-MRXNPFEDSA-N 2 1 404.511 0.591 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000607285153 1074307071 /nfs/dbraw/zinc/30/70/71/1074307071.db2.gz LKJBWBFKVOXDOC-IBGZPJMESA-N 2 1 416.570 0.653 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000607285156 1074307359 /nfs/dbraw/zinc/30/73/59/1074307359.db2.gz LKJBWBFKVOXDOC-LJQANCHMSA-N 2 1 416.570 0.653 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607338331 1074315792 /nfs/dbraw/zinc/31/57/92/1074315792.db2.gz QBHGTZYZPVLWOV-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607338331 1074315786 /nfs/dbraw/zinc/31/57/86/1074315786.db2.gz QBHGTZYZPVLWOV-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338331 1074315778 /nfs/dbraw/zinc/31/57/78/1074315778.db2.gz QBHGTZYZPVLWOV-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338331 1074315771 /nfs/dbraw/zinc/31/57/71/1074315771.db2.gz QBHGTZYZPVLWOV-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607338332 1074315714 /nfs/dbraw/zinc/31/57/14/1074315714.db2.gz QBHGTZYZPVLWOV-UXHICEINSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607338332 1074315708 /nfs/dbraw/zinc/31/57/08/1074315708.db2.gz QBHGTZYZPVLWOV-UXHICEINSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338332 1074315700 /nfs/dbraw/zinc/31/57/00/1074315700.db2.gz QBHGTZYZPVLWOV-UXHICEINSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338332 1074315694 /nfs/dbraw/zinc/31/56/94/1074315694.db2.gz QBHGTZYZPVLWOV-UXHICEINSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607338333 1074315565 /nfs/dbraw/zinc/31/55/65/1074315565.db2.gz QBHGTZYZPVLWOV-VQTJNVASSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607338333 1074315560 /nfs/dbraw/zinc/31/55/60/1074315560.db2.gz QBHGTZYZPVLWOV-VQTJNVASSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338333 1074315550 /nfs/dbraw/zinc/31/55/50/1074315550.db2.gz QBHGTZYZPVLWOV-VQTJNVASSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338333 1074315541 /nfs/dbraw/zinc/31/55/41/1074315541.db2.gz QBHGTZYZPVLWOV-VQTJNVASSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607338334 1074315438 /nfs/dbraw/zinc/31/54/38/1074315438.db2.gz QBHGTZYZPVLWOV-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607338334 1074315433 /nfs/dbraw/zinc/31/54/33/1074315433.db2.gz QBHGTZYZPVLWOV-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338334 1074315424 /nfs/dbraw/zinc/31/54/24/1074315424.db2.gz QBHGTZYZPVLWOV-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607338334 1074315418 /nfs/dbraw/zinc/31/54/18/1074315418.db2.gz QBHGTZYZPVLWOV-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338396 1074315651 /nfs/dbraw/zinc/31/56/51/1074315651.db2.gz PTCXJKMFHSJTDT-PMACEKPBSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338396 1074315647 /nfs/dbraw/zinc/31/56/47/1074315647.db2.gz PTCXJKMFHSJTDT-PMACEKPBSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338396 1074315641 /nfs/dbraw/zinc/31/56/41/1074315641.db2.gz PTCXJKMFHSJTDT-PMACEKPBSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338396 1074315637 /nfs/dbraw/zinc/31/56/37/1074315637.db2.gz PTCXJKMFHSJTDT-PMACEKPBSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338397 1074315879 /nfs/dbraw/zinc/31/58/79/1074315879.db2.gz PTCXJKMFHSJTDT-UXHICEINSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338397 1074315872 /nfs/dbraw/zinc/31/58/72/1074315872.db2.gz PTCXJKMFHSJTDT-UXHICEINSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338397 1074315862 /nfs/dbraw/zinc/31/58/62/1074315862.db2.gz PTCXJKMFHSJTDT-UXHICEINSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338397 1074315852 /nfs/dbraw/zinc/31/58/52/1074315852.db2.gz PTCXJKMFHSJTDT-UXHICEINSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338398 1074315611 /nfs/dbraw/zinc/31/56/11/1074315611.db2.gz PTCXJKMFHSJTDT-VQTJNVASSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338398 1074315603 /nfs/dbraw/zinc/31/56/03/1074315603.db2.gz PTCXJKMFHSJTDT-VQTJNVASSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338398 1074315596 /nfs/dbraw/zinc/31/55/96/1074315596.db2.gz PTCXJKMFHSJTDT-VQTJNVASSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338398 1074315591 /nfs/dbraw/zinc/31/55/91/1074315591.db2.gz PTCXJKMFHSJTDT-VQTJNVASSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338399 1074316206 /nfs/dbraw/zinc/31/62/06/1074316206.db2.gz PTCXJKMFHSJTDT-WOJBJXKFSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000607338399 1074316199 /nfs/dbraw/zinc/31/61/99/1074316199.db2.gz PTCXJKMFHSJTDT-WOJBJXKFSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338399 1074316192 /nfs/dbraw/zinc/31/61/92/1074316192.db2.gz PTCXJKMFHSJTDT-WOJBJXKFSA-N 2 1 400.523 0.828 20 0 HCADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000607338399 1074316181 /nfs/dbraw/zinc/31/61/81/1074316181.db2.gz PTCXJKMFHSJTDT-WOJBJXKFSA-N 2 1 400.523 0.828 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000607340651 1074316248 /nfs/dbraw/zinc/31/62/48/1074316248.db2.gz FFDKJLASZLHHHH-FQEVSTJZSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000607340651 1074316242 /nfs/dbraw/zinc/31/62/42/1074316242.db2.gz FFDKJLASZLHHHH-FQEVSTJZSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000607340652 1074316301 /nfs/dbraw/zinc/31/63/01/1074316301.db2.gz FFDKJLASZLHHHH-HXUWFJFHSA-N 2 1 402.539 0.946 20 0 HCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000607340652 1074316294 /nfs/dbraw/zinc/31/62/94/1074316294.db2.gz FFDKJLASZLHHHH-HXUWFJFHSA-N 2 1 402.539 0.946 20 0 HCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406162 1074327707 /nfs/dbraw/zinc/32/77/07/1074327707.db2.gz ZXFWOLBDHURQEP-JOCHJYFZSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406162 1074327693 /nfs/dbraw/zinc/32/76/93/1074327693.db2.gz ZXFWOLBDHURQEP-JOCHJYFZSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406162 1074327682 /nfs/dbraw/zinc/32/76/82/1074327682.db2.gz ZXFWOLBDHURQEP-JOCHJYFZSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406163 1074327867 /nfs/dbraw/zinc/32/78/67/1074327867.db2.gz ZXFWOLBDHURQEP-QFIPXVFZSA-N 2 1 403.571 0.949 20 0 HCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406163 1074327860 /nfs/dbraw/zinc/32/78/60/1074327860.db2.gz ZXFWOLBDHURQEP-QFIPXVFZSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406163 1074327845 /nfs/dbraw/zinc/32/78/45/1074327845.db2.gz ZXFWOLBDHURQEP-QFIPXVFZSA-N 2 1 403.571 0.949 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406961 1074327604 /nfs/dbraw/zinc/32/76/04/1074327604.db2.gz BKEFIYJBEFMUDH-NRFANRHFSA-N 2 1 403.527 0.087 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406961 1074327600 /nfs/dbraw/zinc/32/76/00/1074327600.db2.gz BKEFIYJBEFMUDH-NRFANRHFSA-N 2 1 403.527 0.087 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406964 1074327939 /nfs/dbraw/zinc/32/79/39/1074327939.db2.gz BKEFIYJBEFMUDH-OAQYLSRUSA-N 2 1 403.527 0.087 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406964 1074327933 /nfs/dbraw/zinc/32/79/33/1074327933.db2.gz BKEFIYJBEFMUDH-OAQYLSRUSA-N 2 1 403.527 0.087 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607413217 1074323080 /nfs/dbraw/zinc/32/30/80/1074323080.db2.gz FEKSFIVGONKHGH-JOCHJYFZSA-N 2 1 417.554 0.475 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607413217 1074323078 /nfs/dbraw/zinc/32/30/78/1074323078.db2.gz FEKSFIVGONKHGH-JOCHJYFZSA-N 2 1 417.554 0.475 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607413218 1074322832 /nfs/dbraw/zinc/32/28/32/1074322832.db2.gz FEKSFIVGONKHGH-QFIPXVFZSA-N 2 1 417.554 0.475 20 0 HCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607413218 1074322821 /nfs/dbraw/zinc/32/28/21/1074322821.db2.gz FEKSFIVGONKHGH-QFIPXVFZSA-N 2 1 417.554 0.475 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607415785 1074323641 /nfs/dbraw/zinc/32/36/41/1074323641.db2.gz CRZYAHIKZNRGCR-JOCHJYFZSA-N 2 1 403.571 0.950 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607415785 1074323637 /nfs/dbraw/zinc/32/36/37/1074323637.db2.gz CRZYAHIKZNRGCR-JOCHJYFZSA-N 2 1 403.571 0.950 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607415785 1074323632 /nfs/dbraw/zinc/32/36/32/1074323632.db2.gz CRZYAHIKZNRGCR-JOCHJYFZSA-N 2 1 403.571 0.950 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607415789 1074323972 /nfs/dbraw/zinc/32/39/72/1074323972.db2.gz CRZYAHIKZNRGCR-QFIPXVFZSA-N 2 1 403.571 0.950 20 0 HCADMP C[NH+]1CCN(CCCCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607415789 1074323965 /nfs/dbraw/zinc/32/39/65/1074323965.db2.gz CRZYAHIKZNRGCR-QFIPXVFZSA-N 2 1 403.571 0.950 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607415789 1074323954 /nfs/dbraw/zinc/32/39/54/1074323954.db2.gz CRZYAHIKZNRGCR-QFIPXVFZSA-N 2 1 403.571 0.950 20 0 HCADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000607428097 1074326186 /nfs/dbraw/zinc/32/61/86/1074326186.db2.gz GRHFSXUYOKIANB-JOCHJYFZSA-N 2 1 420.473 0.959 20 0 HCADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)c2)CC1 ZINC000608012402 1074381134 /nfs/dbraw/zinc/38/11/34/1074381134.db2.gz ZDIBZLGWZFNCKU-NRFANRHFSA-N 2 1 413.566 0.988 20 0 HCADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)c2)CC1 ZINC000608012403 1074381423 /nfs/dbraw/zinc/38/14/23/1074381423.db2.gz ZDIBZLGWZFNCKU-OAQYLSRUSA-N 2 1 413.566 0.988 20 0 HCADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000608012405 1074381160 /nfs/dbraw/zinc/38/11/60/1074381160.db2.gz ZNUOESGCYCXKKA-IBGZPJMESA-N 2 1 414.554 0.534 20 0 HCADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000608012406 1074381296 /nfs/dbraw/zinc/38/12/96/1074381296.db2.gz ZNUOESGCYCXKKA-LJQANCHMSA-N 2 1 414.554 0.534 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c[nH]1)[C@@H]1CCC[NH+](C)C1 ZINC000608030277 1074384865 /nfs/dbraw/zinc/38/48/65/1074384865.db2.gz KIGFCAJZPKLADV-CVEARBPZSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c[nH]1)[C@@H]1CCC[NH+](C)C1 ZINC000608030277 1074384856 /nfs/dbraw/zinc/38/48/56/1074384856.db2.gz KIGFCAJZPKLADV-CVEARBPZSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[NH+](C)C2)c[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000608030277 1074384847 /nfs/dbraw/zinc/38/48/47/1074384847.db2.gz KIGFCAJZPKLADV-CVEARBPZSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[NH+](C)C2)c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000608030277 1074384835 /nfs/dbraw/zinc/38/48/35/1074384835.db2.gz KIGFCAJZPKLADV-CVEARBPZSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c[nH]1)[C@H]1CCC[NH+](C)C1 ZINC000608030278 1074385063 /nfs/dbraw/zinc/38/50/63/1074385063.db2.gz KIGFCAJZPKLADV-HOTGVXAUSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c[nH]1)[C@H]1CCC[NH+](C)C1 ZINC000608030278 1074385058 /nfs/dbraw/zinc/38/50/58/1074385058.db2.gz KIGFCAJZPKLADV-HOTGVXAUSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[NH+](C)C2)c[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000608030278 1074385051 /nfs/dbraw/zinc/38/50/51/1074385051.db2.gz KIGFCAJZPKLADV-HOTGVXAUSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[NH+](C)C2)c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000608030278 1074385041 /nfs/dbraw/zinc/38/50/41/1074385041.db2.gz KIGFCAJZPKLADV-HOTGVXAUSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c[nH]1)[C@@H]1CCC[NH+](C)C1 ZINC000608030279 1074384782 /nfs/dbraw/zinc/38/47/82/1074384782.db2.gz KIGFCAJZPKLADV-HZPDHXFCSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c[nH]1)[C@@H]1CCC[NH+](C)C1 ZINC000608030279 1074384776 /nfs/dbraw/zinc/38/47/76/1074384776.db2.gz KIGFCAJZPKLADV-HZPDHXFCSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH+](C)C2)c[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000608030279 1074384767 /nfs/dbraw/zinc/38/47/67/1074384767.db2.gz KIGFCAJZPKLADV-HZPDHXFCSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH+](C)C2)c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000608030279 1074384758 /nfs/dbraw/zinc/38/47/58/1074384758.db2.gz KIGFCAJZPKLADV-HZPDHXFCSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c[nH]1)[C@H]1CCC[NH+](C)C1 ZINC000608030280 1074384963 /nfs/dbraw/zinc/38/49/63/1074384963.db2.gz KIGFCAJZPKLADV-JKSUJKDBSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c[nH]1)[C@H]1CCC[NH+](C)C1 ZINC000608030280 1074384951 /nfs/dbraw/zinc/38/49/51/1074384951.db2.gz KIGFCAJZPKLADV-JKSUJKDBSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH+](C)C2)c[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000608030280 1074384938 /nfs/dbraw/zinc/38/49/38/1074384938.db2.gz KIGFCAJZPKLADV-JKSUJKDBSA-N 2 1 411.572 0.896 20 0 HCADMP CN(C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH+](C)C2)c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000608030280 1074384930 /nfs/dbraw/zinc/38/49/30/1074384930.db2.gz KIGFCAJZPKLADV-JKSUJKDBSA-N 2 1 411.572 0.896 20 0 HCADMP CCn1nc2c(cc1=O)C[NH+](C/C=C/C[N@@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096038 1074393334 /nfs/dbraw/zinc/39/33/34/1074393334.db2.gz IIALASOCVPJCTK-AATRIKPKSA-N 2 1 410.522 0.812 20 0 HCADMP CCn1nc2c(cc1=O)C[NH+](C/C=C\C[N@@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096039 1074393149 /nfs/dbraw/zinc/39/31/49/1074393149.db2.gz IIALASOCVPJCTK-WAYWQWQTSA-N 2 1 410.522 0.812 20 0 HCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000608117203 1074392143 /nfs/dbraw/zinc/39/21/43/1074392143.db2.gz UKBGSENYOHEGKZ-UHFFFAOYSA-N 2 1 417.491 0.345 20 0 HCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365328 1074426350 /nfs/dbraw/zinc/42/63/50/1074426350.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365328 1074426345 /nfs/dbraw/zinc/42/63/45/1074426345.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365328 1074426339 /nfs/dbraw/zinc/42/63/39/1074426339.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365328 1074426332 /nfs/dbraw/zinc/42/63/32/1074426332.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365329 1074426458 /nfs/dbraw/zinc/42/64/58/1074426458.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365329 1074426456 /nfs/dbraw/zinc/42/64/56/1074426456.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365329 1074426453 /nfs/dbraw/zinc/42/64/53/1074426453.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365329 1074426451 /nfs/dbraw/zinc/42/64/51/1074426451.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365330 1074426556 /nfs/dbraw/zinc/42/65/56/1074426556.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365330 1074426535 /nfs/dbraw/zinc/42/65/35/1074426535.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365330 1074426520 /nfs/dbraw/zinc/42/65/20/1074426520.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365330 1074426502 /nfs/dbraw/zinc/42/65/02/1074426502.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365331 1074426274 /nfs/dbraw/zinc/42/62/74/1074426274.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608365331 1074426269 /nfs/dbraw/zinc/42/62/69/1074426269.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365331 1074426262 /nfs/dbraw/zinc/42/62/62/1074426262.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 2 1 416.566 0.800 20 0 HCADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608365331 1074426257 /nfs/dbraw/zinc/42/62/57/1074426257.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 2 1 416.566 0.800 20 0 HCADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000608365473 1074427316 /nfs/dbraw/zinc/42/73/16/1074427316.db2.gz KPHBPWPETITORX-NRFANRHFSA-N 2 1 415.582 0.965 20 0 HCADMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000608365477 1074427387 /nfs/dbraw/zinc/42/73/87/1074427387.db2.gz KPHBPWPETITORX-OAQYLSRUSA-N 2 1 415.582 0.965 20 0 HCADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000608515845 1074451404 /nfs/dbraw/zinc/45/14/04/1074451404.db2.gz MQORVZZUUWPYTO-INIZCTEOSA-N 2 1 403.527 0.986 20 0 HCADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000608515846 1074451131 /nfs/dbraw/zinc/45/11/31/1074451131.db2.gz MQORVZZUUWPYTO-MRXNPFEDSA-N 2 1 403.527 0.986 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000608664472 1074481914 /nfs/dbraw/zinc/48/19/14/1074481914.db2.gz FDHRGBUDBHQYAH-KRWDZBQOSA-N 2 1 403.593 0.470 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000608664473 1074482089 /nfs/dbraw/zinc/48/20/89/1074482089.db2.gz FDHRGBUDBHQYAH-QGZVFWFLSA-N 2 1 403.593 0.470 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000608687356 1074487110 /nfs/dbraw/zinc/48/71/10/1074487110.db2.gz JBUAWIBDXUXABI-LEWJYISDSA-N 2 1 424.634 0.450 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000608687356 1074487101 /nfs/dbraw/zinc/48/71/01/1074487101.db2.gz JBUAWIBDXUXABI-LEWJYISDSA-N 2 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608687356 1074487095 /nfs/dbraw/zinc/48/70/95/1074487095.db2.gz JBUAWIBDXUXABI-LEWJYISDSA-N 3 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608687356 1074487089 /nfs/dbraw/zinc/48/70/89/1074487089.db2.gz JBUAWIBDXUXABI-LEWJYISDSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687356 1074487084 /nfs/dbraw/zinc/48/70/84/1074487084.db2.gz JBUAWIBDXUXABI-LEWJYISDSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000608687357 1074487265 /nfs/dbraw/zinc/48/72/65/1074487265.db2.gz JBUAWIBDXUXABI-NHCUHLMSSA-N 2 1 424.634 0.450 20 0 HCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000608687357 1074487263 /nfs/dbraw/zinc/48/72/63/1074487263.db2.gz JBUAWIBDXUXABI-NHCUHLMSSA-N 2 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608687357 1074487261 /nfs/dbraw/zinc/48/72/61/1074487261.db2.gz JBUAWIBDXUXABI-NHCUHLMSSA-N 3 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608687357 1074487258 /nfs/dbraw/zinc/48/72/58/1074487258.db2.gz JBUAWIBDXUXABI-NHCUHLMSSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687357 1074487255 /nfs/dbraw/zinc/48/72/55/1074487255.db2.gz JBUAWIBDXUXABI-NHCUHLMSSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000608687358 1074487150 /nfs/dbraw/zinc/48/71/50/1074487150.db2.gz JBUAWIBDXUXABI-RTWAWAEBSA-N 2 1 424.634 0.450 20 0 HCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000608687358 1074487143 /nfs/dbraw/zinc/48/71/43/1074487143.db2.gz JBUAWIBDXUXABI-RTWAWAEBSA-N 2 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608687358 1074487136 /nfs/dbraw/zinc/48/71/36/1074487136.db2.gz JBUAWIBDXUXABI-RTWAWAEBSA-N 3 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608687358 1074487131 /nfs/dbraw/zinc/48/71/31/1074487131.db2.gz JBUAWIBDXUXABI-RTWAWAEBSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687358 1074487121 /nfs/dbraw/zinc/48/71/21/1074487121.db2.gz JBUAWIBDXUXABI-RTWAWAEBSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000608687359 1074487458 /nfs/dbraw/zinc/48/74/58/1074487458.db2.gz JBUAWIBDXUXABI-SFTDATJTSA-N 2 1 424.634 0.450 20 0 HCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000608687359 1074487450 /nfs/dbraw/zinc/48/74/50/1074487450.db2.gz JBUAWIBDXUXABI-SFTDATJTSA-N 2 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608687359 1074487442 /nfs/dbraw/zinc/48/74/42/1074487442.db2.gz JBUAWIBDXUXABI-SFTDATJTSA-N 3 1 424.634 0.450 20 0 HCADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000608687359 1074487434 /nfs/dbraw/zinc/48/74/34/1074487434.db2.gz JBUAWIBDXUXABI-SFTDATJTSA-N 3 1 424.634 0.450 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687359 1074487432 /nfs/dbraw/zinc/48/74/32/1074487432.db2.gz JBUAWIBDXUXABI-SFTDATJTSA-N 3 1 424.634 0.450 20 0 HCADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000608687676 1074487165 /nfs/dbraw/zinc/48/71/65/1074487165.db2.gz NODJDUYWMMOUEX-NRFANRHFSA-N 2 1 415.582 0.791 20 0 HCADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000608687681 1074488324 /nfs/dbraw/zinc/48/83/24/1074488324.db2.gz NODJDUYWMMOUEX-OAQYLSRUSA-N 2 1 415.582 0.791 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608688325 1074487472 /nfs/dbraw/zinc/48/74/72/1074487472.db2.gz UPZJFDUTGSTBON-FQEVSTJZSA-N 2 1 423.602 0.679 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608688326 1074487954 /nfs/dbraw/zinc/48/79/54/1074487954.db2.gz UPZJFDUTGSTBON-HXUWFJFHSA-N 2 1 423.602 0.679 20 0 HCADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000608698369 1074489622 /nfs/dbraw/zinc/48/96/22/1074489622.db2.gz OHNDIIAAAKLGAG-KRWDZBQOSA-N 2 1 403.531 0.629 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000608698370 1074489547 /nfs/dbraw/zinc/48/95/47/1074489547.db2.gz OHNDIIAAAKLGAG-QGZVFWFLSA-N 2 1 403.531 0.629 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608734924 1074498030 /nfs/dbraw/zinc/49/80/30/1074498030.db2.gz FRJPEXPYRKPHCT-LMMKCTJWSA-N 2 1 419.574 0.971 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608734928 1074498657 /nfs/dbraw/zinc/49/86/57/1074498657.db2.gz FRJPEXPYRKPHCT-SCTDSRPQSA-N 2 1 419.574 0.971 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608734930 1074498485 /nfs/dbraw/zinc/49/84/85/1074498485.db2.gz FRJPEXPYRKPHCT-YQVWRLOYSA-N 2 1 419.574 0.971 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608734931 1074498680 /nfs/dbraw/zinc/49/86/80/1074498680.db2.gz FRJPEXPYRKPHCT-ZHALLVOQSA-N 2 1 419.574 0.971 20 0 HCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000608776457 1074503042 /nfs/dbraw/zinc/50/30/42/1074503042.db2.gz GMCAPHRRGNJALU-UHFFFAOYSA-N 2 1 410.478 0.869 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321335 1079213741 /nfs/dbraw/zinc/21/37/41/1079213741.db2.gz HJHGTGYOYFTBQF-HSALFYBXSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321336 1079213686 /nfs/dbraw/zinc/21/36/86/1079213686.db2.gz HJHGTGYOYFTBQF-SLFFLAALSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321337 1079213533 /nfs/dbraw/zinc/21/35/33/1079213533.db2.gz HJHGTGYOYFTBQF-VAMGGRTRSA-N 2 1 405.587 0.558 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321338 1079213714 /nfs/dbraw/zinc/21/37/14/1079213714.db2.gz HJHGTGYOYFTBQF-XUVXKRRUSA-N 2 1 405.587 0.558 20 0 HCADMP O=C(NCC[NH+]1CCCCC1)c1cc(S(=O)(=O)NCC[NH+]2CCCCC2)c[nH]1 ZINC000615226297 1078181033 /nfs/dbraw/zinc/18/10/33/1078181033.db2.gz HFYMCQGUOMRUPU-UHFFFAOYSA-N 2 1 411.572 0.995 20 0 HCADMP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000616188332 1078727749 /nfs/dbraw/zinc/72/77/49/1078727749.db2.gz XLTVUXQBSRJBSV-UHFFFAOYSA-N 2 1 417.554 0.790 20 0 HCADMP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000616212340 1078729349 /nfs/dbraw/zinc/72/93/49/1078729349.db2.gz JQCALBUWMPUKIA-UHFFFAOYSA-N 2 1 403.527 0.398 20 0 HCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000616265553 1078734774 /nfs/dbraw/zinc/73/47/74/1078734774.db2.gz LDKXLJUDEOEJOE-UHFFFAOYSA-N 2 1 415.538 0.544 20 0 HCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000616278840 1078732882 /nfs/dbraw/zinc/73/28/82/1078732882.db2.gz RBYZMCHSPBOHMX-UHFFFAOYSA-N 2 1 415.538 0.544 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000616334219 1078740951 /nfs/dbraw/zinc/74/09/51/1078740951.db2.gz NBRKFLQVQSVTAN-UHFFFAOYSA-N 2 1 405.543 0.708 20 0 HCADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000616373301 1078744883 /nfs/dbraw/zinc/74/48/83/1078744883.db2.gz RJUAHRZZBBHVAN-UHFFFAOYSA-N 2 1 417.554 0.788 20 0 HCADMP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000616373301 1078744875 /nfs/dbraw/zinc/74/48/75/1078744875.db2.gz RJUAHRZZBBHVAN-UHFFFAOYSA-N 2 1 417.554 0.788 20 0 HCADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000616425533 1078749899 /nfs/dbraw/zinc/74/98/99/1078749899.db2.gz ZWNZJLYJPKSSDM-AWEZNQCLSA-N 2 1 423.489 0.491 20 0 HCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000616425540 1078750452 /nfs/dbraw/zinc/75/04/52/1078750452.db2.gz ZWNZJLYJPKSSDM-CQSZACIVSA-N 2 1 423.489 0.491 20 0 HCADMP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000617665236 1078833888 /nfs/dbraw/zinc/83/38/88/1078833888.db2.gz QLVZVOMGQAGURP-UHFFFAOYSA-N 2 1 415.538 0.494 20 0 HCADMP CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000617886741 1078846311 /nfs/dbraw/zinc/84/63/11/1078846311.db2.gz BINSZOFLFMEOFF-GOSISDBHSA-N 2 1 401.511 0.152 20 0 HCADMP CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000617886746 1078846361 /nfs/dbraw/zinc/84/63/61/1078846361.db2.gz BINSZOFLFMEOFF-SFHVURJKSA-N 2 1 401.511 0.152 20 0 HCADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000617887225 1078847332 /nfs/dbraw/zinc/84/73/32/1078847332.db2.gz IUNHBUWQTPDEHV-GOSISDBHSA-N 2 1 401.511 0.533 20 0 HCADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000617887226 1078847243 /nfs/dbraw/zinc/84/72/43/1078847243.db2.gz IUNHBUWQTPDEHV-SFHVURJKSA-N 2 1 401.511 0.533 20 0 HCADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000617887582 1078846781 /nfs/dbraw/zinc/84/67/81/1078846781.db2.gz NFVMAKNWZVYMPN-GOSISDBHSA-N 2 1 403.527 0.907 20 0 HCADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000617887588 1078847316 /nfs/dbraw/zinc/84/73/16/1078847316.db2.gz NFVMAKNWZVYMPN-SFHVURJKSA-N 2 1 403.527 0.907 20 0 HCADMP Cn1c(=O)c2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000619176802 1078888035 /nfs/dbraw/zinc/88/80/35/1078888035.db2.gz NKAIBFHLZZEOOO-UHFFFAOYSA-N 2 1 409.450 0.031 20 0 HCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000619177208 1078888002 /nfs/dbraw/zinc/88/80/02/1078888002.db2.gz SAVWCGBBMDWVOD-UHFFFAOYSA-N 2 1 423.271 0.497 20 0 HCADMP CN(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1 ZINC000619180091 1078888101 /nfs/dbraw/zinc/88/81/01/1078888101.db2.gz DPCNLBJYGHDKQD-UHFFFAOYSA-N 2 1 404.496 0.488 20 0 HCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000619618036 1078919068 /nfs/dbraw/zinc/91/90/68/1078919068.db2.gz IKFAEQJFFRNCCX-FQEVSTJZSA-N 2 1 417.554 0.543 20 0 HCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000619618037 1078918920 /nfs/dbraw/zinc/91/89/20/1078918920.db2.gz IKFAEQJFFRNCCX-HXUWFJFHSA-N 2 1 417.554 0.543 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000619793935 1078941961 /nfs/dbraw/zinc/94/19/61/1078941961.db2.gz BAKANSZSWACQOL-MOPGFXCFSA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000619793935 1078941952 /nfs/dbraw/zinc/94/19/52/1078941952.db2.gz BAKANSZSWACQOL-MOPGFXCFSA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000619793936 1078941898 /nfs/dbraw/zinc/94/18/98/1078941898.db2.gz BAKANSZSWACQOL-OALUTQOASA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000619793936 1078941886 /nfs/dbraw/zinc/94/18/86/1078941886.db2.gz BAKANSZSWACQOL-OALUTQOASA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793937 1078941614 /nfs/dbraw/zinc/94/16/14/1078941614.db2.gz BAKANSZSWACQOL-RBUKOAKNSA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793937 1078941603 /nfs/dbraw/zinc/94/16/03/1078941603.db2.gz BAKANSZSWACQOL-RBUKOAKNSA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793938 1078942337 /nfs/dbraw/zinc/94/23/37/1078942337.db2.gz BAKANSZSWACQOL-RTBURBONSA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793938 1078942330 /nfs/dbraw/zinc/94/23/30/1078942330.db2.gz BAKANSZSWACQOL-RTBURBONSA-N 2 1 413.522 0.756 20 0 HCADMP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000619811006 1078942264 /nfs/dbraw/zinc/94/22/64/1078942264.db2.gz HDENTFAXKSXUJB-UHFFFAOYSA-N 2 1 401.511 0.565 20 0 HCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000619971861 1078970020 /nfs/dbraw/zinc/97/00/20/1078970020.db2.gz XQSRZSQNQQYECA-KBPBESRZSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000619971861 1078970016 /nfs/dbraw/zinc/97/00/16/1078970016.db2.gz XQSRZSQNQQYECA-KBPBESRZSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971861 1078970011 /nfs/dbraw/zinc/97/00/11/1078970011.db2.gz XQSRZSQNQQYECA-KBPBESRZSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971861 1078970009 /nfs/dbraw/zinc/97/00/09/1078970009.db2.gz XQSRZSQNQQYECA-KBPBESRZSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000619971862 1078970282 /nfs/dbraw/zinc/97/02/82/1078970282.db2.gz XQSRZSQNQQYECA-KGLIPLIRSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000619971862 1078970268 /nfs/dbraw/zinc/97/02/68/1078970268.db2.gz XQSRZSQNQQYECA-KGLIPLIRSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971862 1078970253 /nfs/dbraw/zinc/97/02/53/1078970253.db2.gz XQSRZSQNQQYECA-KGLIPLIRSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971862 1078970234 /nfs/dbraw/zinc/97/02/34/1078970234.db2.gz XQSRZSQNQQYECA-KGLIPLIRSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000619971863 1078970519 /nfs/dbraw/zinc/97/05/19/1078970519.db2.gz XQSRZSQNQQYECA-UONOGXRCSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000619971863 1078970510 /nfs/dbraw/zinc/97/05/10/1078970510.db2.gz XQSRZSQNQQYECA-UONOGXRCSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971863 1078970505 /nfs/dbraw/zinc/97/05/05/1078970505.db2.gz XQSRZSQNQQYECA-UONOGXRCSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971863 1078970495 /nfs/dbraw/zinc/97/04/95/1078970495.db2.gz XQSRZSQNQQYECA-UONOGXRCSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000619971864 1078970584 /nfs/dbraw/zinc/97/05/84/1078970584.db2.gz XQSRZSQNQQYECA-ZIAGYGMSSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000619971864 1078970575 /nfs/dbraw/zinc/97/05/75/1078970575.db2.gz XQSRZSQNQQYECA-ZIAGYGMSSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971864 1078970569 /nfs/dbraw/zinc/97/05/69/1078970569.db2.gz XQSRZSQNQQYECA-ZIAGYGMSSA-N 2 1 407.540 0.496 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CC[NH+](C3CC3)C2)c[nH]1 ZINC000619971864 1078970559 /nfs/dbraw/zinc/97/05/59/1078970559.db2.gz XQSRZSQNQQYECA-ZIAGYGMSSA-N 2 1 407.540 0.496 20 0 HCADMP COCC[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000620325245 1078998934 /nfs/dbraw/zinc/99/89/34/1078998934.db2.gz LRLHCXQIYBLTFK-UHFFFAOYSA-N 2 1 417.554 0.984 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000621016826 1079048721 /nfs/dbraw/zinc/04/87/21/1079048721.db2.gz VWBJLEQXYNKCJR-UHFFFAOYSA-N 2 1 401.511 0.613 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000621016854 1079048764 /nfs/dbraw/zinc/04/87/64/1079048764.db2.gz XZBBFOBUNUZKQU-UHFFFAOYSA-N 2 1 403.527 0.859 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000621018448 1079049644 /nfs/dbraw/zinc/04/96/44/1079049644.db2.gz MYFVKTGHVBHFAQ-UHFFFAOYSA-N 2 1 415.538 0.955 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC000621021177 1080492461 /nfs/dbraw/zinc/49/24/61/1080492461.db2.gz SPXUHGPKBWJFCS-INIZCTEOSA-N 2 1 403.527 0.859 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC000621021178 1080492564 /nfs/dbraw/zinc/49/25/64/1080492564.db2.gz SPXUHGPKBWJFCS-MRXNPFEDSA-N 2 1 403.527 0.859 20 0 HCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000622362956 1079107405 /nfs/dbraw/zinc/10/74/05/1079107405.db2.gz PHMDKYPTRYBYQW-UHFFFAOYSA-N 2 1 404.559 0.851 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669654539 1073464096 /nfs/dbraw/zinc/46/40/96/1073464096.db2.gz KDTDRALXGRBYAH-PMACEKPBSA-N 2 1 409.575 0.147 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669654540 1073463730 /nfs/dbraw/zinc/46/37/30/1073463730.db2.gz KDTDRALXGRBYAH-VQTJNVASSA-N 2 1 409.575 0.147 20 0 HCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 ZINC000669693512 1073597694 /nfs/dbraw/zinc/59/76/94/1073597694.db2.gz AYAQSFIKMIBSBE-UHFFFAOYSA-N 2 1 409.600 0.872 20 0 HCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000670479464 1078461265 /nfs/dbraw/zinc/46/12/65/1078461265.db2.gz JYYJHZSFWQFZOJ-FQEVSTJZSA-N 2 1 402.539 0.853 20 0 HCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670479464 1078461261 /nfs/dbraw/zinc/46/12/61/1078461261.db2.gz JYYJHZSFWQFZOJ-FQEVSTJZSA-N 2 1 402.539 0.853 20 0 HCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000670479465 1078461351 /nfs/dbraw/zinc/46/13/51/1078461351.db2.gz JYYJHZSFWQFZOJ-HXUWFJFHSA-N 2 1 402.539 0.853 20 0 HCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670479465 1078461349 /nfs/dbraw/zinc/46/13/49/1078461349.db2.gz JYYJHZSFWQFZOJ-HXUWFJFHSA-N 2 1 402.539 0.853 20 0 HCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000670479473 1078465987 /nfs/dbraw/zinc/46/59/87/1078465987.db2.gz KRUBZKKAAOOCAK-UHFFFAOYSA-N 2 1 402.539 0.853 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000670503564 1078546592 /nfs/dbraw/zinc/54/65/92/1078546592.db2.gz UEEBBQWLUMENAV-PMACEKPBSA-N 2 1 401.555 0.644 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000670503565 1078546444 /nfs/dbraw/zinc/54/64/44/1078546444.db2.gz UEEBBQWLUMENAV-UXHICEINSA-N 2 1 401.555 0.644 20 0 HCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670509504 1078572239 /nfs/dbraw/zinc/57/22/39/1078572239.db2.gz ORXQVBJZUSIDFW-IBGZPJMESA-N 2 1 407.603 0.994 20 0 HCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670509504 1078572226 /nfs/dbraw/zinc/57/22/26/1078572226.db2.gz ORXQVBJZUSIDFW-IBGZPJMESA-N 2 1 407.603 0.994 20 0 HCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670509505 1078572398 /nfs/dbraw/zinc/57/23/98/1078572398.db2.gz ORXQVBJZUSIDFW-LJQANCHMSA-N 2 1 407.603 0.994 20 0 HCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670509505 1078572391 /nfs/dbraw/zinc/57/23/91/1078572391.db2.gz ORXQVBJZUSIDFW-LJQANCHMSA-N 2 1 407.603 0.994 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCCCC1 ZINC000670510042 1078566553 /nfs/dbraw/zinc/56/65/53/1078566553.db2.gz YBIIEFHVNGLCGE-IBGZPJMESA-N 2 1 407.603 0.996 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCCCC1 ZINC000670510043 1078566414 /nfs/dbraw/zinc/56/64/14/1078566414.db2.gz YBIIEFHVNGLCGE-LJQANCHMSA-N 2 1 407.603 0.996 20 0 HCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670526963 1078629372 /nfs/dbraw/zinc/62/93/72/1078629372.db2.gz UYKZRGYRKNOZDE-UHFFFAOYSA-N 2 1 415.538 0.882 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccs1 ZINC000670535390 1078677972 /nfs/dbraw/zinc/67/79/72/1078677972.db2.gz BNMNCOAFENSFBK-DLBZAZTESA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccs1 ZINC000670535391 1078677895 /nfs/dbraw/zinc/67/78/95/1078677895.db2.gz BNMNCOAFENSFBK-IAGOWNOFSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccs1 ZINC000670535392 1078677937 /nfs/dbraw/zinc/67/79/37/1078677937.db2.gz BNMNCOAFENSFBK-IRXDYDNUSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccs1 ZINC000670535393 1078678006 /nfs/dbraw/zinc/67/80/06/1078678006.db2.gz BNMNCOAFENSFBK-SJORKVTESA-N 2 1 407.584 0.705 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000670535853 1078684025 /nfs/dbraw/zinc/68/40/25/1078684025.db2.gz VICRFWLJPASJHW-UHFFFAOYSA-N 2 1 407.603 0.994 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)C1 ZINC000670544862 1078718007 /nfs/dbraw/zinc/71/80/07/1078718007.db2.gz UULRAPIIMWUEDY-MOPGFXCFSA-N 2 1 417.554 0.771 20 0 HCADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)C1 ZINC000670544862 1078718005 /nfs/dbraw/zinc/71/80/05/1078718005.db2.gz UULRAPIIMWUEDY-MOPGFXCFSA-N 2 1 417.554 0.771 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)C1 ZINC000670544865 1078717960 /nfs/dbraw/zinc/71/79/60/1078717960.db2.gz UULRAPIIMWUEDY-RTBURBONSA-N 2 1 417.554 0.771 20 0 HCADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)C1 ZINC000670544865 1078717954 /nfs/dbraw/zinc/71/79/54/1078717954.db2.gz UULRAPIIMWUEDY-RTBURBONSA-N 2 1 417.554 0.771 20 0 HCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000670545226 1078715548 /nfs/dbraw/zinc/71/55/48/1078715548.db2.gz IYMYNLYAQPKCIP-UHFFFAOYSA-N 2 1 407.603 0.992 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670572525 1078849232 /nfs/dbraw/zinc/84/92/32/1078849232.db2.gz RESMKVIHLRPYRB-IBGZPJMESA-N 2 1 407.603 0.994 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670572525 1078849228 /nfs/dbraw/zinc/84/92/28/1078849228.db2.gz RESMKVIHLRPYRB-IBGZPJMESA-N 2 1 407.603 0.994 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670572526 1078849280 /nfs/dbraw/zinc/84/92/80/1078849280.db2.gz RESMKVIHLRPYRB-LJQANCHMSA-N 2 1 407.603 0.994 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670572526 1078849278 /nfs/dbraw/zinc/84/92/78/1078849278.db2.gz RESMKVIHLRPYRB-LJQANCHMSA-N 2 1 407.603 0.994 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607821 1078965735 /nfs/dbraw/zinc/96/57/35/1078965735.db2.gz SNCMWKWSKGHFKD-CTNGQTDRSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607821 1078965732 /nfs/dbraw/zinc/96/57/32/1078965732.db2.gz SNCMWKWSKGHFKD-CTNGQTDRSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607822 1078966278 /nfs/dbraw/zinc/96/62/78/1078966278.db2.gz SNCMWKWSKGHFKD-FPOVZHCZSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607822 1078966274 /nfs/dbraw/zinc/96/62/74/1078966274.db2.gz SNCMWKWSKGHFKD-FPOVZHCZSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607823 1078966415 /nfs/dbraw/zinc/96/64/15/1078966415.db2.gz SNCMWKWSKGHFKD-PZJWPPBQSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607823 1078966406 /nfs/dbraw/zinc/96/64/06/1078966406.db2.gz SNCMWKWSKGHFKD-PZJWPPBQSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607824 1078966506 /nfs/dbraw/zinc/96/65/06/1078966506.db2.gz SNCMWKWSKGHFKD-TZIWHRDSSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000670607824 1078966495 /nfs/dbraw/zinc/96/64/95/1078966495.db2.gz SNCMWKWSKGHFKD-TZIWHRDSSA-N 2 1 415.582 0.560 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608369 1078964577 /nfs/dbraw/zinc/96/45/77/1078964577.db2.gz PSCUDFAEXDXTSE-LEWJYISDSA-N 2 1 415.582 0.514 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608370 1078964605 /nfs/dbraw/zinc/96/46/05/1078964605.db2.gz PSCUDFAEXDXTSE-NHCUHLMSSA-N 2 1 415.582 0.514 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608371 1078964391 /nfs/dbraw/zinc/96/43/91/1078964391.db2.gz PSCUDFAEXDXTSE-RTWAWAEBSA-N 2 1 415.582 0.514 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608372 1078964161 /nfs/dbraw/zinc/96/41/61/1078964161.db2.gz PSCUDFAEXDXTSE-SFTDATJTSA-N 2 1 415.582 0.514 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670623474 1079025430 /nfs/dbraw/zinc/02/54/30/1079025430.db2.gz CJTVCEXYVPAIGH-LEWJYISDSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670623475 1079025260 /nfs/dbraw/zinc/02/52/60/1079025260.db2.gz CJTVCEXYVPAIGH-NHCUHLMSSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670623476 1079026011 /nfs/dbraw/zinc/02/60/11/1079026011.db2.gz CJTVCEXYVPAIGH-RTWAWAEBSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670623477 1079025911 /nfs/dbraw/zinc/02/59/11/1079025911.db2.gz CJTVCEXYVPAIGH-SFTDATJTSA-N 2 1 413.566 0.663 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670623493 1079025863 /nfs/dbraw/zinc/02/58/63/1079025863.db2.gz GAHZNQLMXQCYGY-NRFANRHFSA-N 2 1 413.566 0.521 20 0 HCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670623494 1079025804 /nfs/dbraw/zinc/02/58/04/1079025804.db2.gz GAHZNQLMXQCYGY-OAQYLSRUSA-N 2 1 413.566 0.521 20 0 HCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000670623588 1079031266 /nfs/dbraw/zinc/03/12/66/1079031266.db2.gz APIZJXYSZQFYCC-UHFFFAOYSA-N 2 1 401.555 0.475 20 0 HCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000670623609 1079031213 /nfs/dbraw/zinc/03/12/13/1079031213.db2.gz DHJWHZJAQVXMSJ-AZUAARDMSA-N 2 1 413.566 0.662 20 0 HCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000670623610 1079031181 /nfs/dbraw/zinc/03/11/81/1079031181.db2.gz DHJWHZJAQVXMSJ-ICSRJNTNSA-N 2 1 413.566 0.662 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000670623611 1079031401 /nfs/dbraw/zinc/03/14/01/1079031401.db2.gz DHJWHZJAQVXMSJ-QUCCMNQESA-N 2 1 413.566 0.662 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000670623612 1079031315 /nfs/dbraw/zinc/03/13/15/1079031315.db2.gz DHJWHZJAQVXMSJ-UYAOXDASSA-N 2 1 413.566 0.662 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628592 1079038845 /nfs/dbraw/zinc/03/88/45/1079038845.db2.gz XHSSVNQQPDZRTC-PMACEKPBSA-N 2 1 413.566 0.662 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628593 1079038937 /nfs/dbraw/zinc/03/89/37/1079038937.db2.gz XHSSVNQQPDZRTC-UXHICEINSA-N 2 1 413.566 0.662 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628594 1079038915 /nfs/dbraw/zinc/03/89/15/1079038915.db2.gz XHSSVNQQPDZRTC-VQTJNVASSA-N 2 1 413.566 0.662 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628595 1079038870 /nfs/dbraw/zinc/03/88/70/1079038870.db2.gz XHSSVNQQPDZRTC-WOJBJXKFSA-N 2 1 413.566 0.662 20 0 HCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628648 1079038881 /nfs/dbraw/zinc/03/88/81/1079038881.db2.gz FGPSUHXUTIQXLR-NRFANRHFSA-N 2 1 415.582 0.911 20 0 HCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628649 1079038823 /nfs/dbraw/zinc/03/88/23/1079038823.db2.gz FGPSUHXUTIQXLR-OAQYLSRUSA-N 2 1 415.582 0.911 20 0 HCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628738 1079044656 /nfs/dbraw/zinc/04/46/56/1079044656.db2.gz XLZZHMQAXLSWMD-CTNGQTDRSA-N 2 1 415.582 0.767 20 0 HCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628739 1079044517 /nfs/dbraw/zinc/04/45/17/1079044517.db2.gz XLZZHMQAXLSWMD-FPOVZHCZSA-N 2 1 415.582 0.767 20 0 HCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628740 1079044481 /nfs/dbraw/zinc/04/44/81/1079044481.db2.gz XLZZHMQAXLSWMD-PZJWPPBQSA-N 2 1 415.582 0.767 20 0 HCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628741 1079044965 /nfs/dbraw/zinc/04/49/65/1079044965.db2.gz XLZZHMQAXLSWMD-TZIWHRDSSA-N 2 1 415.582 0.767 20 0 HCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629226 1079040341 /nfs/dbraw/zinc/04/03/41/1079040341.db2.gz ULDNMRHSXGKFFF-LEWJYISDSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629226 1079040337 /nfs/dbraw/zinc/04/03/37/1079040337.db2.gz ULDNMRHSXGKFFF-LEWJYISDSA-N 2 1 413.566 0.616 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629226 1079040330 /nfs/dbraw/zinc/04/03/30/1079040330.db2.gz ULDNMRHSXGKFFF-LEWJYISDSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629227 1079040131 /nfs/dbraw/zinc/04/01/31/1079040131.db2.gz ULDNMRHSXGKFFF-NHCUHLMSSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629227 1079040120 /nfs/dbraw/zinc/04/01/20/1079040120.db2.gz ULDNMRHSXGKFFF-NHCUHLMSSA-N 2 1 413.566 0.616 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629227 1079040115 /nfs/dbraw/zinc/04/01/15/1079040115.db2.gz ULDNMRHSXGKFFF-NHCUHLMSSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629228 1079040256 /nfs/dbraw/zinc/04/02/56/1079040256.db2.gz ULDNMRHSXGKFFF-RTWAWAEBSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629228 1079040247 /nfs/dbraw/zinc/04/02/47/1079040247.db2.gz ULDNMRHSXGKFFF-RTWAWAEBSA-N 2 1 413.566 0.616 20 0 HCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629228 1079040243 /nfs/dbraw/zinc/04/02/43/1079040243.db2.gz ULDNMRHSXGKFFF-RTWAWAEBSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629229 1079040046 /nfs/dbraw/zinc/04/00/46/1079040046.db2.gz ULDNMRHSXGKFFF-SFTDATJTSA-N 2 1 413.566 0.616 20 0 HCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000670629229 1079040040 /nfs/dbraw/zinc/04/00/40/1079040040.db2.gz ULDNMRHSXGKFFF-SFTDATJTSA-N 2 1 413.566 0.616 20 0 HCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629229 1079040035 /nfs/dbraw/zinc/04/00/35/1079040035.db2.gz ULDNMRHSXGKFFF-SFTDATJTSA-N 2 1 413.566 0.616 20 0 HCADMP CC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670630028 1079043048 /nfs/dbraw/zinc/04/30/48/1079043048.db2.gz RPOJRKRDHNAHIG-UHFFFAOYSA-N 2 1 402.543 0.310 20 0 HCADMP CN(C(=O)C(=O)NCCCN1CCCCCC1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670635178 1079058180 /nfs/dbraw/zinc/05/81/80/1079058180.db2.gz NZSWLOTVRCGYTH-LJQANCHMSA-N 2 1 421.586 0.522 20 0 HCADMP CN(C(=O)C(=O)NCCCN1CCCCCC1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670635178 1079058175 /nfs/dbraw/zinc/05/81/75/1079058175.db2.gz NZSWLOTVRCGYTH-LJQANCHMSA-N 2 1 421.586 0.522 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCCCC1 ZINC000670663280 1079158843 /nfs/dbraw/zinc/15/88/43/1079158843.db2.gz IUWXZULLCYYVMG-IBGZPJMESA-N 2 1 407.603 0.996 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCCCC1 ZINC000670663281 1079158624 /nfs/dbraw/zinc/15/86/24/1079158624.db2.gz IUWXZULLCYYVMG-LJQANCHMSA-N 2 1 407.603 0.996 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671122 1079197018 /nfs/dbraw/zinc/19/70/18/1079197018.db2.gz INRYJHGNRRXWBB-PMACEKPBSA-N 2 1 423.602 0.086 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671123 1079197108 /nfs/dbraw/zinc/19/71/08/1079197108.db2.gz INRYJHGNRRXWBB-UXHICEINSA-N 2 1 423.602 0.086 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671124 1079197145 /nfs/dbraw/zinc/19/71/45/1079197145.db2.gz INRYJHGNRRXWBB-VQTJNVASSA-N 2 1 423.602 0.086 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671125 1079196980 /nfs/dbraw/zinc/19/69/80/1079196980.db2.gz INRYJHGNRRXWBB-WOJBJXKFSA-N 2 1 423.602 0.086 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670679033 1079212826 /nfs/dbraw/zinc/21/28/26/1079212826.db2.gz RWYPHFIMRXDLKO-FQEVSTJZSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670679033 1079212817 /nfs/dbraw/zinc/21/28/17/1079212817.db2.gz RWYPHFIMRXDLKO-FQEVSTJZSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670679034 1079212937 /nfs/dbraw/zinc/21/29/37/1079212937.db2.gz RWYPHFIMRXDLKO-HXUWFJFHSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670679034 1079212931 /nfs/dbraw/zinc/21/29/31/1079212931.db2.gz RWYPHFIMRXDLKO-HXUWFJFHSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670679070 1079212415 /nfs/dbraw/zinc/21/24/15/1079212415.db2.gz BCJSJUQOMKLQND-PMACEKPBSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670679070 1079212408 /nfs/dbraw/zinc/21/24/08/1079212408.db2.gz BCJSJUQOMKLQND-PMACEKPBSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670679071 1079212282 /nfs/dbraw/zinc/21/22/82/1079212282.db2.gz BCJSJUQOMKLQND-UXHICEINSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670679071 1079212270 /nfs/dbraw/zinc/21/22/70/1079212270.db2.gz BCJSJUQOMKLQND-UXHICEINSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670679072 1079212199 /nfs/dbraw/zinc/21/21/99/1079212199.db2.gz BCJSJUQOMKLQND-VQTJNVASSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670679072 1079212190 /nfs/dbraw/zinc/21/21/90/1079212190.db2.gz BCJSJUQOMKLQND-VQTJNVASSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670679073 1079212352 /nfs/dbraw/zinc/21/23/52/1079212352.db2.gz BCJSJUQOMKLQND-WOJBJXKFSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670679073 1079212344 /nfs/dbraw/zinc/21/23/44/1079212344.db2.gz BCJSJUQOMKLQND-WOJBJXKFSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670679156 1079212458 /nfs/dbraw/zinc/21/24/58/1079212458.db2.gz WWLVCGKAVCACBS-UHFFFAOYSA-N 2 1 423.517 0.879 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000670679350 1079212026 /nfs/dbraw/zinc/21/20/26/1079212026.db2.gz ORTACINBXUEXEC-KRWDZBQOSA-N 2 1 402.539 0.982 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000670679351 1079211899 /nfs/dbraw/zinc/21/18/99/1079211899.db2.gz ORTACINBXUEXEC-QGZVFWFLSA-N 2 1 402.539 0.982 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000670708755 1079267895 /nfs/dbraw/zinc/26/78/95/1079267895.db2.gz FEXUTIMELJYPKZ-UHFFFAOYSA-N 2 1 407.603 0.996 20 0 HCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000670709308 1079258741 /nfs/dbraw/zinc/25/87/41/1079258741.db2.gz WFQBHSPGJIKZTJ-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000670709308 1079258733 /nfs/dbraw/zinc/25/87/33/1079258733.db2.gz WFQBHSPGJIKZTJ-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000670709309 1079258359 /nfs/dbraw/zinc/25/83/59/1079258359.db2.gz WFQBHSPGJIKZTJ-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000670709309 1079258350 /nfs/dbraw/zinc/25/83/50/1079258350.db2.gz WFQBHSPGJIKZTJ-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000670711455 1079270758 /nfs/dbraw/zinc/27/07/58/1079270758.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670711455 1079270751 /nfs/dbraw/zinc/27/07/51/1079270751.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+](C)Cc3ccccc3)C2)CC1 ZINC000670711455 1079270741 /nfs/dbraw/zinc/27/07/41/1079270741.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC[NH+](C)Cc3ccccc3)C2)CC1 ZINC000670711455 1079270736 /nfs/dbraw/zinc/27/07/36/1079270736.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 2 1 415.582 0.909 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711455 1079270729 /nfs/dbraw/zinc/27/07/29/1079270729.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000670711456 1079270928 /nfs/dbraw/zinc/27/09/28/1079270928.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670711456 1079270917 /nfs/dbraw/zinc/27/09/17/1079270917.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+](C)Cc3ccccc3)C2)CC1 ZINC000670711456 1079270909 /nfs/dbraw/zinc/27/09/09/1079270909.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 2 1 415.582 0.909 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC[NH+](C)Cc3ccccc3)C2)CC1 ZINC000670711456 1079270896 /nfs/dbraw/zinc/27/08/96/1079270896.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 2 1 415.582 0.909 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711456 1079270885 /nfs/dbraw/zinc/27/08/85/1079270885.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 2 1 415.582 0.909 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670711570 1079267151 /nfs/dbraw/zinc/26/71/51/1079267151.db2.gz BYYMBZGJOPFPJK-NRFANRHFSA-N 2 1 415.582 0.863 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670711570 1079267147 /nfs/dbraw/zinc/26/71/47/1079267147.db2.gz BYYMBZGJOPFPJK-NRFANRHFSA-N 2 1 415.582 0.863 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000670711570 1079267140 /nfs/dbraw/zinc/26/71/40/1079267140.db2.gz BYYMBZGJOPFPJK-NRFANRHFSA-N 2 1 415.582 0.863 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670711571 1079267095 /nfs/dbraw/zinc/26/70/95/1079267095.db2.gz BYYMBZGJOPFPJK-OAQYLSRUSA-N 2 1 415.582 0.863 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670711571 1079267089 /nfs/dbraw/zinc/26/70/89/1079267089.db2.gz BYYMBZGJOPFPJK-OAQYLSRUSA-N 2 1 415.582 0.863 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000670711571 1079267081 /nfs/dbraw/zinc/26/70/81/1079267081.db2.gz BYYMBZGJOPFPJK-OAQYLSRUSA-N 2 1 415.582 0.863 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000670786477 1078701965 /nfs/dbraw/zinc/70/19/65/1078701965.db2.gz RKBDWUJEAAMDHB-GOSISDBHSA-N 2 1 400.527 0.050 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000670786478 1078701901 /nfs/dbraw/zinc/70/19/01/1078701901.db2.gz RKBDWUJEAAMDHB-SFHVURJKSA-N 2 1 400.527 0.050 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670786547 1078700897 /nfs/dbraw/zinc/70/08/97/1078700897.db2.gz WDMYGFSBHHTYKM-MSOLQXFVSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670786548 1078700965 /nfs/dbraw/zinc/70/09/65/1078700965.db2.gz WDMYGFSBHHTYKM-QZTJIDSGSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670786549 1078700619 /nfs/dbraw/zinc/70/06/19/1078700619.db2.gz WDMYGFSBHHTYKM-ROUUACIJSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670786550 1078700673 /nfs/dbraw/zinc/70/06/73/1078700673.db2.gz WDMYGFSBHHTYKM-ZWKOTPCHSA-N 2 1 400.527 0.193 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@H+]1CCC[C@@H](C)C1 ZINC000670786579 1078700992 /nfs/dbraw/zinc/70/09/92/1078700992.db2.gz CNQBEGMGGAEQGE-MSOLQXFVSA-N 2 1 416.570 0.686 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@H+]1CCC[C@@H](C)C1 ZINC000670786580 1078700937 /nfs/dbraw/zinc/70/09/37/1078700937.db2.gz CNQBEGMGGAEQGE-QZTJIDSGSA-N 2 1 416.570 0.686 20 0 HCADMP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@H+]1CCC[C@H](C)C1 ZINC000670786581 1078700725 /nfs/dbraw/zinc/70/07/25/1078700725.db2.gz CNQBEGMGGAEQGE-ROUUACIJSA-N 2 1 416.570 0.686 20 0 HCADMP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@H+]1CCC[C@H](C)C1 ZINC000670786582 1078700828 /nfs/dbraw/zinc/70/08/28/1078700828.db2.gz CNQBEGMGGAEQGE-ZWKOTPCHSA-N 2 1 416.570 0.686 20 0 HCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000670804259 1078722145 /nfs/dbraw/zinc/72/21/45/1078722145.db2.gz GKQZMNGNAXWCDP-FQEVSTJZSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000670804259 1078722136 /nfs/dbraw/zinc/72/21/36/1078722136.db2.gz GKQZMNGNAXWCDP-FQEVSTJZSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000670804260 1078721942 /nfs/dbraw/zinc/72/19/42/1078721942.db2.gz GKQZMNGNAXWCDP-HXUWFJFHSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000670804260 1078721935 /nfs/dbraw/zinc/72/19/35/1078721935.db2.gz GKQZMNGNAXWCDP-HXUWFJFHSA-N 2 1 407.603 0.850 20 0 HCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000670819289 1078747443 /nfs/dbraw/zinc/74/74/43/1078747443.db2.gz CRXYQFDRGGKOGB-FQEVSTJZSA-N 2 1 417.554 0.983 20 0 HCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000670819290 1078747531 /nfs/dbraw/zinc/74/75/31/1078747531.db2.gz CRXYQFDRGGKOGB-HXUWFJFHSA-N 2 1 417.554 0.983 20 0 HCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000670833247 1078774368 /nfs/dbraw/zinc/77/43/68/1078774368.db2.gz VAKLKKYOLRDKOJ-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000670833248 1078774178 /nfs/dbraw/zinc/77/41/78/1078774178.db2.gz VAKLKKYOLRDKOJ-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000670836677 1078781097 /nfs/dbraw/zinc/78/10/97/1078781097.db2.gz IUHPWLPKPGDGNE-GOSISDBHSA-N 2 1 417.558 0.096 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000670836678 1078781650 /nfs/dbraw/zinc/78/16/50/1078781650.db2.gz IUHPWLPKPGDGNE-SFHVURJKSA-N 2 1 417.558 0.096 20 0 HCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000670836898 1078785135 /nfs/dbraw/zinc/78/51/35/1078785135.db2.gz OYISLBVWUVEKFT-GOSISDBHSA-N 2 1 417.558 0.094 20 0 HCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000670836899 1078785245 /nfs/dbraw/zinc/78/52/45/1078785245.db2.gz OYISLBVWUVEKFT-SFHVURJKSA-N 2 1 417.558 0.094 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670877662 1078827774 /nfs/dbraw/zinc/82/77/74/1078827774.db2.gz HWSWWUAEMJCELX-FXAWDEMLSA-N 2 1 402.539 0.645 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670877662 1078827769 /nfs/dbraw/zinc/82/77/69/1078827769.db2.gz HWSWWUAEMJCELX-FXAWDEMLSA-N 2 1 402.539 0.645 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670877663 1078827852 /nfs/dbraw/zinc/82/78/52/1078827852.db2.gz HWSWWUAEMJCELX-PXNSSMCTSA-N 2 1 402.539 0.645 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670877663 1078827848 /nfs/dbraw/zinc/82/78/48/1078827848.db2.gz HWSWWUAEMJCELX-PXNSSMCTSA-N 2 1 402.539 0.645 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670877664 1078827879 /nfs/dbraw/zinc/82/78/79/1078827879.db2.gz HWSWWUAEMJCELX-XLIONFOSSA-N 2 1 402.539 0.645 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670877664 1078827876 /nfs/dbraw/zinc/82/78/76/1078827876.db2.gz HWSWWUAEMJCELX-XLIONFOSSA-N 2 1 402.539 0.645 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878013 1078827834 /nfs/dbraw/zinc/82/78/34/1078827834.db2.gz FJJMKQUKDWDNMO-PMACEKPBSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878014 1078827861 /nfs/dbraw/zinc/82/78/61/1078827861.db2.gz FJJMKQUKDWDNMO-UXHICEINSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878015 1078827735 /nfs/dbraw/zinc/82/77/35/1078827735.db2.gz FJJMKQUKDWDNMO-VQTJNVASSA-N 2 1 401.555 0.690 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878016 1078825761 /nfs/dbraw/zinc/82/57/61/1078825761.db2.gz FJJMKQUKDWDNMO-WOJBJXKFSA-N 2 1 401.555 0.690 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670878035 1078827181 /nfs/dbraw/zinc/82/71/81/1078827181.db2.gz LONPTJUNQVYRSD-GHTZIAJQSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670878035 1078827177 /nfs/dbraw/zinc/82/71/77/1078827177.db2.gz LONPTJUNQVYRSD-GHTZIAJQSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878035 1078827174 /nfs/dbraw/zinc/82/71/74/1078827174.db2.gz LONPTJUNQVYRSD-GHTZIAJQSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670878037 1078827056 /nfs/dbraw/zinc/82/70/56/1078827056.db2.gz LONPTJUNQVYRSD-RXVVDRJESA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670878037 1078827053 /nfs/dbraw/zinc/82/70/53/1078827053.db2.gz LONPTJUNQVYRSD-RXVVDRJESA-N 2 1 415.582 0.765 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878037 1078827052 /nfs/dbraw/zinc/82/70/52/1078827052.db2.gz LONPTJUNQVYRSD-RXVVDRJESA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670878038 1078827203 /nfs/dbraw/zinc/82/72/03/1078827203.db2.gz LONPTJUNQVYRSD-WIYYLYMNSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000670878038 1078827202 /nfs/dbraw/zinc/82/72/02/1078827202.db2.gz LONPTJUNQVYRSD-WIYYLYMNSA-N 2 1 415.582 0.765 20 0 HCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878038 1078827196 /nfs/dbraw/zinc/82/71/96/1078827196.db2.gz LONPTJUNQVYRSD-WIYYLYMNSA-N 2 1 415.582 0.765 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878124 1078827032 /nfs/dbraw/zinc/82/70/32/1078827032.db2.gz MHBUCVFGFWQBJZ-NRFANRHFSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878124 1078827031 /nfs/dbraw/zinc/82/70/31/1078827031.db2.gz MHBUCVFGFWQBJZ-NRFANRHFSA-N 2 1 415.582 0.862 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878124 1078827028 /nfs/dbraw/zinc/82/70/28/1078827028.db2.gz MHBUCVFGFWQBJZ-NRFANRHFSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878125 1078827162 /nfs/dbraw/zinc/82/71/62/1078827162.db2.gz MHBUCVFGFWQBJZ-OAQYLSRUSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878125 1078827158 /nfs/dbraw/zinc/82/71/58/1078827158.db2.gz MHBUCVFGFWQBJZ-OAQYLSRUSA-N 2 1 415.582 0.862 20 0 HCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878125 1078827156 /nfs/dbraw/zinc/82/71/56/1078827156.db2.gz MHBUCVFGFWQBJZ-OAQYLSRUSA-N 2 1 415.582 0.862 20 0 HCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000670878408 1078826724 /nfs/dbraw/zinc/82/67/24/1078826724.db2.gz PUDFKEMEXCDSJC-UHFFFAOYSA-N 2 1 421.561 0.858 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000670879794 1078831451 /nfs/dbraw/zinc/83/14/51/1078831451.db2.gz XARPPERSQHLIRW-FXAWDEMLSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000670879794 1078831450 /nfs/dbraw/zinc/83/14/50/1078831450.db2.gz XARPPERSQHLIRW-FXAWDEMLSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000670879795 1078831379 /nfs/dbraw/zinc/83/13/79/1078831379.db2.gz XARPPERSQHLIRW-PXNSSMCTSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000670879795 1078831377 /nfs/dbraw/zinc/83/13/77/1078831377.db2.gz XARPPERSQHLIRW-PXNSSMCTSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000670879796 1078831348 /nfs/dbraw/zinc/83/13/48/1078831348.db2.gz XARPPERSQHLIRW-XLIONFOSSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000670879796 1078831342 /nfs/dbraw/zinc/83/13/42/1078831342.db2.gz XARPPERSQHLIRW-XLIONFOSSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000670879797 1078831414 /nfs/dbraw/zinc/83/14/14/1078831414.db2.gz XARPPERSQHLIRW-YLJYHZDGSA-N 2 1 402.539 0.911 20 0 HCADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000670879797 1078831412 /nfs/dbraw/zinc/83/14/12/1078831412.db2.gz XARPPERSQHLIRW-YLJYHZDGSA-N 2 1 402.539 0.911 20 0 HCADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000670883244 1078834702 /nfs/dbraw/zinc/83/47/02/1078834702.db2.gz RIQSCJCMIQBULN-GHTZIAJQSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000670883244 1078834701 /nfs/dbraw/zinc/83/47/01/1078834701.db2.gz RIQSCJCMIQBULN-GHTZIAJQSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000670883244 1078834695 /nfs/dbraw/zinc/83/46/95/1078834695.db2.gz RIQSCJCMIQBULN-GHTZIAJQSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000670883245 1078834588 /nfs/dbraw/zinc/83/45/88/1078834588.db2.gz RIQSCJCMIQBULN-NQIIRXRSSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000670883245 1078834586 /nfs/dbraw/zinc/83/45/86/1078834586.db2.gz RIQSCJCMIQBULN-NQIIRXRSSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000670883245 1078834585 /nfs/dbraw/zinc/83/45/85/1078834585.db2.gz RIQSCJCMIQBULN-NQIIRXRSSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000670883246 1078834637 /nfs/dbraw/zinc/83/46/37/1078834637.db2.gz RIQSCJCMIQBULN-RXVVDRJESA-N 2 1 415.582 0.897 20 0 HCADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000670883246 1078834632 /nfs/dbraw/zinc/83/46/32/1078834632.db2.gz RIQSCJCMIQBULN-RXVVDRJESA-N 2 1 415.582 0.897 20 0 HCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000670883246 1078834629 /nfs/dbraw/zinc/83/46/29/1078834629.db2.gz RIQSCJCMIQBULN-RXVVDRJESA-N 2 1 415.582 0.897 20 0 HCADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000670883247 1078834724 /nfs/dbraw/zinc/83/47/24/1078834724.db2.gz RIQSCJCMIQBULN-WIYYLYMNSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000670883247 1078834721 /nfs/dbraw/zinc/83/47/21/1078834721.db2.gz RIQSCJCMIQBULN-WIYYLYMNSA-N 2 1 415.582 0.897 20 0 HCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000670883247 1078834720 /nfs/dbraw/zinc/83/47/20/1078834720.db2.gz RIQSCJCMIQBULN-WIYYLYMNSA-N 2 1 415.582 0.897 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892075 1078843314 /nfs/dbraw/zinc/84/33/14/1078843314.db2.gz BLNKYLZUCCJQSW-GOSISDBHSA-N 2 1 400.527 0.050 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892076 1078843681 /nfs/dbraw/zinc/84/36/81/1078843681.db2.gz BLNKYLZUCCJQSW-SFHVURJKSA-N 2 1 400.527 0.050 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892199 1078842749 /nfs/dbraw/zinc/84/27/49/1078842749.db2.gz HXOVETCCTDOMNN-MSOLQXFVSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892200 1078842832 /nfs/dbraw/zinc/84/28/32/1078842832.db2.gz HXOVETCCTDOMNN-QZTJIDSGSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892201 1078842945 /nfs/dbraw/zinc/84/29/45/1078842945.db2.gz HXOVETCCTDOMNN-ROUUACIJSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892202 1078842899 /nfs/dbraw/zinc/84/28/99/1078842899.db2.gz HXOVETCCTDOMNN-ZWKOTPCHSA-N 2 1 400.527 0.193 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894675 1078844007 /nfs/dbraw/zinc/84/40/07/1078844007.db2.gz HVTCIOWNQCRCIM-GOSISDBHSA-N 2 1 405.587 0.794 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894675 1078844006 /nfs/dbraw/zinc/84/40/06/1078844006.db2.gz HVTCIOWNQCRCIM-GOSISDBHSA-N 2 1 405.587 0.794 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894676 1078844052 /nfs/dbraw/zinc/84/40/52/1078844052.db2.gz HVTCIOWNQCRCIM-SFHVURJKSA-N 2 1 405.587 0.794 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894676 1078844051 /nfs/dbraw/zinc/84/40/51/1078844051.db2.gz HVTCIOWNQCRCIM-SFHVURJKSA-N 2 1 405.587 0.794 20 0 HCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000670894684 1078844069 /nfs/dbraw/zinc/84/40/69/1078844069.db2.gz IHCPPDWZLBMOQF-FQEVSTJZSA-N 2 1 405.587 0.748 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000670894685 1078843991 /nfs/dbraw/zinc/84/39/91/1078843991.db2.gz IHCPPDWZLBMOQF-HXUWFJFHSA-N 2 1 405.587 0.748 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670904871 1078849442 /nfs/dbraw/zinc/84/94/42/1078849442.db2.gz LZBFSUOQBSAZPB-PMACEKPBSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670904871 1078849439 /nfs/dbraw/zinc/84/94/39/1078849439.db2.gz LZBFSUOQBSAZPB-PMACEKPBSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670904872 1078849397 /nfs/dbraw/zinc/84/93/97/1078849397.db2.gz LZBFSUOQBSAZPB-UXHICEINSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670904872 1078849391 /nfs/dbraw/zinc/84/93/91/1078849391.db2.gz LZBFSUOQBSAZPB-UXHICEINSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670904873 1078849470 /nfs/dbraw/zinc/84/94/70/1078849470.db2.gz LZBFSUOQBSAZPB-VQTJNVASSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670904873 1078849467 /nfs/dbraw/zinc/84/94/67/1078849467.db2.gz LZBFSUOQBSAZPB-VQTJNVASSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670904874 1078849461 /nfs/dbraw/zinc/84/94/61/1078849461.db2.gz LZBFSUOQBSAZPB-WOJBJXKFSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670904874 1078849459 /nfs/dbraw/zinc/84/94/59/1078849459.db2.gz LZBFSUOQBSAZPB-WOJBJXKFSA-N 2 1 400.523 0.878 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670904893 1078850963 /nfs/dbraw/zinc/85/09/63/1078850963.db2.gz PBRZCRUYZJUWOH-FQEVSTJZSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670904893 1078850960 /nfs/dbraw/zinc/85/09/60/1078850960.db2.gz PBRZCRUYZJUWOH-FQEVSTJZSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670904894 1078850256 /nfs/dbraw/zinc/85/02/56/1078850256.db2.gz PBRZCRUYZJUWOH-HXUWFJFHSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670904894 1078850250 /nfs/dbraw/zinc/85/02/50/1078850250.db2.gz PBRZCRUYZJUWOH-HXUWFJFHSA-N 2 1 400.523 0.736 20 0 HCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670905031 1078850548 /nfs/dbraw/zinc/85/05/48/1078850548.db2.gz ZNKNBALRQKMUNJ-UHFFFAOYSA-N 2 1 423.517 0.879 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000670905127 1078850909 /nfs/dbraw/zinc/85/09/09/1078850909.db2.gz FVYDCZMHQMQXNV-KRWDZBQOSA-N 2 1 402.539 0.982 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000670905128 1078850978 /nfs/dbraw/zinc/85/09/78/1078850978.db2.gz FVYDCZMHQMQXNV-QGZVFWFLSA-N 2 1 402.539 0.982 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000670959646 1078869976 /nfs/dbraw/zinc/86/99/76/1078869976.db2.gz CDXUNVRGBVWEAT-IBGZPJMESA-N 2 1 414.554 0.440 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000670959647 1078869884 /nfs/dbraw/zinc/86/98/84/1078869884.db2.gz CDXUNVRGBVWEAT-LJQANCHMSA-N 2 1 414.554 0.440 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959671 1078870433 /nfs/dbraw/zinc/87/04/33/1078870433.db2.gz GVPWCUWPNRXGIR-MOPGFXCFSA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959672 1078870367 /nfs/dbraw/zinc/87/03/67/1078870367.db2.gz GVPWCUWPNRXGIR-OALUTQOASA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959673 1078870323 /nfs/dbraw/zinc/87/03/23/1078870323.db2.gz GVPWCUWPNRXGIR-RBUKOAKNSA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959674 1078870271 /nfs/dbraw/zinc/87/02/71/1078870271.db2.gz GVPWCUWPNRXGIR-RTBURBONSA-N 2 1 414.554 0.583 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC[N@@H+](C)C3CCCC3)cn2)CC1 ZINC000670959942 1078872769 /nfs/dbraw/zinc/87/27/69/1078872769.db2.gz FCRJOWKENLNRQU-UHFFFAOYSA-N 2 1 416.570 0.830 20 0 HCADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000670960489 1078871951 /nfs/dbraw/zinc/87/19/51/1078871951.db2.gz MHRWIRJGCBWTRW-FQEVSTJZSA-N 2 1 401.555 0.651 20 0 HCADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000670960490 1078871963 /nfs/dbraw/zinc/87/19/63/1078871963.db2.gz MHRWIRJGCBWTRW-HXUWFJFHSA-N 2 1 401.555 0.651 20 0 HCADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000670960727 1078872049 /nfs/dbraw/zinc/87/20/49/1078872049.db2.gz FJPALONYGCUDLW-FQEVSTJZSA-N 2 1 401.555 0.651 20 0 HCADMP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000670960728 1078871988 /nfs/dbraw/zinc/87/19/88/1078871988.db2.gz FJPALONYGCUDLW-HXUWFJFHSA-N 2 1 401.555 0.651 20 0 HCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967575 1078876728 /nfs/dbraw/zinc/87/67/28/1078876728.db2.gz BUVBQGQYCMDOEB-UHFFFAOYSA-N 2 1 417.554 0.377 20 0 HCADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000670967627 1078876711 /nfs/dbraw/zinc/87/67/11/1078876711.db2.gz RIYUXXAYRYGHIQ-UHFFFAOYSA-N 2 1 421.586 0.381 20 0 HCADMP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000670970077 1078877906 /nfs/dbraw/zinc/87/79/06/1078877906.db2.gz QBUFKTGGEUAUHA-FQEVSTJZSA-N 2 1 409.619 0.955 20 0 HCADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000670970078 1078878314 /nfs/dbraw/zinc/87/83/14/1078878314.db2.gz QBUFKTGGEUAUHA-HXUWFJFHSA-N 2 1 409.619 0.955 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000670976669 1078879774 /nfs/dbraw/zinc/87/97/74/1078879774.db2.gz MDBPGQHHJVTWTF-HOJAQTOUSA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000670976669 1078879771 /nfs/dbraw/zinc/87/97/71/1078879771.db2.gz MDBPGQHHJVTWTF-HOJAQTOUSA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000670976670 1078879783 /nfs/dbraw/zinc/87/97/83/1078879783.db2.gz MDBPGQHHJVTWTF-IHPCNDPISA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000670976670 1078879780 /nfs/dbraw/zinc/87/97/80/1078879780.db2.gz MDBPGQHHJVTWTF-IHPCNDPISA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000670976671 1078879692 /nfs/dbraw/zinc/87/96/92/1078879692.db2.gz MDBPGQHHJVTWTF-YSIASYRMSA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000670976671 1078879690 /nfs/dbraw/zinc/87/96/90/1078879690.db2.gz MDBPGQHHJVTWTF-YSIASYRMSA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000670976672 1078879719 /nfs/dbraw/zinc/87/97/19/1078879719.db2.gz MDBPGQHHJVTWTF-YZGWKJHDSA-N 2 1 404.555 0.891 20 0 HCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000670976672 1078879716 /nfs/dbraw/zinc/87/97/16/1078879716.db2.gz MDBPGQHHJVTWTF-YZGWKJHDSA-N 2 1 404.555 0.891 20 0 HCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000670977321 1078881144 /nfs/dbraw/zinc/88/11/44/1078881144.db2.gz CNNKWWIMUBHFKM-NRFANRHFSA-N 2 1 413.566 0.399 20 0 HCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000670977321 1078881141 /nfs/dbraw/zinc/88/11/41/1078881141.db2.gz CNNKWWIMUBHFKM-NRFANRHFSA-N 2 1 413.566 0.399 20 0 HCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)CC2)C1 ZINC000670977321 1078881137 /nfs/dbraw/zinc/88/11/37/1078881137.db2.gz CNNKWWIMUBHFKM-NRFANRHFSA-N 2 1 413.566 0.399 20 0 HCADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCc4ccccc4C3)CC2)C1 ZINC000670977321 1078881136 /nfs/dbraw/zinc/88/11/36/1078881136.db2.gz CNNKWWIMUBHFKM-NRFANRHFSA-N 2 1 413.566 0.399 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980737 1078883396 /nfs/dbraw/zinc/88/33/96/1078883396.db2.gz MTZWGZZNGNCLLV-PMACEKPBSA-N 2 1 419.545 0.783 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980738 1078883583 /nfs/dbraw/zinc/88/35/83/1078883583.db2.gz MTZWGZZNGNCLLV-UXHICEINSA-N 2 1 419.545 0.783 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980739 1078883438 /nfs/dbraw/zinc/88/34/38/1078883438.db2.gz MTZWGZZNGNCLLV-VQTJNVASSA-N 2 1 419.545 0.783 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980740 1078883383 /nfs/dbraw/zinc/88/33/83/1078883383.db2.gz MTZWGZZNGNCLLV-WOJBJXKFSA-N 2 1 419.545 0.783 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981693 1078884300 /nfs/dbraw/zinc/88/43/00/1078884300.db2.gz FVOOIZAFGLUQLD-MSOLQXFVSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981693 1078884297 /nfs/dbraw/zinc/88/42/97/1078884297.db2.gz FVOOIZAFGLUQLD-MSOLQXFVSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981694 1078884324 /nfs/dbraw/zinc/88/43/24/1078884324.db2.gz FVOOIZAFGLUQLD-QZTJIDSGSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981694 1078884322 /nfs/dbraw/zinc/88/43/22/1078884322.db2.gz FVOOIZAFGLUQLD-QZTJIDSGSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981695 1078884223 /nfs/dbraw/zinc/88/42/23/1078884223.db2.gz FVOOIZAFGLUQLD-ROUUACIJSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981695 1078884220 /nfs/dbraw/zinc/88/42/20/1078884220.db2.gz FVOOIZAFGLUQLD-ROUUACIJSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981696 1078883186 /nfs/dbraw/zinc/88/31/86/1078883186.db2.gz FVOOIZAFGLUQLD-ZWKOTPCHSA-N 2 1 407.584 0.705 20 0 HCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccsc1 ZINC000670981696 1078883182 /nfs/dbraw/zinc/88/31/82/1078883182.db2.gz FVOOIZAFGLUQLD-ZWKOTPCHSA-N 2 1 407.584 0.705 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)CC3)CC2)CC1 ZINC000670983326 1078886744 /nfs/dbraw/zinc/88/67/44/1078886744.db2.gz VPGGZGQGWJDWLA-UHFFFAOYSA-N 2 1 407.603 0.852 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000670984180 1078886729 /nfs/dbraw/zinc/88/67/29/1078886729.db2.gz DQNCIGOEDNHNBO-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000670984180 1078886725 /nfs/dbraw/zinc/88/67/25/1078886725.db2.gz DQNCIGOEDNHNBO-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000670984180 1078886722 /nfs/dbraw/zinc/88/67/22/1078886722.db2.gz DQNCIGOEDNHNBO-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670984874 1078886113 /nfs/dbraw/zinc/88/61/13/1078886113.db2.gz WXTCTNIIERVDAY-KRWDZBQOSA-N 2 1 402.543 0.298 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670984875 1078886041 /nfs/dbraw/zinc/88/60/41/1078886041.db2.gz WXTCTNIIERVDAY-QGZVFWFLSA-N 2 1 402.543 0.298 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000670988350 1078888135 /nfs/dbraw/zinc/88/81/35/1078888135.db2.gz ZGSKEZLBIAKYGC-FQEVSTJZSA-N 2 1 407.603 0.996 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000670988350 1078888131 /nfs/dbraw/zinc/88/81/31/1078888131.db2.gz ZGSKEZLBIAKYGC-FQEVSTJZSA-N 2 1 407.603 0.996 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CCCCC1 ZINC000670988350 1078888128 /nfs/dbraw/zinc/88/81/28/1078888128.db2.gz ZGSKEZLBIAKYGC-FQEVSTJZSA-N 2 1 407.603 0.996 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000670988351 1078888168 /nfs/dbraw/zinc/88/81/68/1078888168.db2.gz ZGSKEZLBIAKYGC-HXUWFJFHSA-N 2 1 407.603 0.996 20 0 HCADMP C[NH+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000670988351 1078888164 /nfs/dbraw/zinc/88/81/64/1078888164.db2.gz ZGSKEZLBIAKYGC-HXUWFJFHSA-N 2 1 407.603 0.996 20 0 HCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CCCCC1 ZINC000670988351 1078888159 /nfs/dbraw/zinc/88/81/59/1078888159.db2.gz ZGSKEZLBIAKYGC-HXUWFJFHSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000670989652 1078889573 /nfs/dbraw/zinc/88/95/73/1078889573.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000670989652 1078889569 /nfs/dbraw/zinc/88/95/69/1078889569.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000670989652 1078889564 /nfs/dbraw/zinc/88/95/64/1078889564.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000670989652 1078889562 /nfs/dbraw/zinc/88/95/62/1078889562.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670989652 1078889560 /nfs/dbraw/zinc/88/95/60/1078889560.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000670989653 1078889532 /nfs/dbraw/zinc/88/95/32/1078889532.db2.gz VQIXPUAPZOOINM-GUDVDZBRSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000670989653 1078889530 /nfs/dbraw/zinc/88/95/30/1078889530.db2.gz VQIXPUAPZOOINM-GUDVDZBRSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000670989654 1078889489 /nfs/dbraw/zinc/88/94/89/1078889489.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000670989654 1078889487 /nfs/dbraw/zinc/88/94/87/1078889487.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000670989654 1078889485 /nfs/dbraw/zinc/88/94/85/1078889485.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000670989654 1078889484 /nfs/dbraw/zinc/88/94/84/1078889484.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670989654 1078889481 /nfs/dbraw/zinc/88/94/81/1078889481.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000670989655 1078889599 /nfs/dbraw/zinc/88/95/99/1078889599.db2.gz VQIXPUAPZOOINM-QRVBRYPASA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000670989655 1078889598 /nfs/dbraw/zinc/88/95/98/1078889598.db2.gz VQIXPUAPZOOINM-QRVBRYPASA-N 2 1 407.603 0.755 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670989675 1078889508 /nfs/dbraw/zinc/88/95/08/1078889508.db2.gz ZBXSFPPOWRWPRH-AQNXPRMDSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670989676 1078889546 /nfs/dbraw/zinc/88/95/46/1078889546.db2.gz ZBXSFPPOWRWPRH-HSALFYBXSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670989676 1078889544 /nfs/dbraw/zinc/88/95/44/1078889544.db2.gz ZBXSFPPOWRWPRH-HSALFYBXSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670989676 1078889542 /nfs/dbraw/zinc/88/95/42/1078889542.db2.gz ZBXSFPPOWRWPRH-HSALFYBXSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670989677 1078889627 /nfs/dbraw/zinc/88/96/27/1078889627.db2.gz ZBXSFPPOWRWPRH-VAMGGRTRSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000670989678 1078889520 /nfs/dbraw/zinc/88/95/20/1078889520.db2.gz ZBXSFPPOWRWPRH-ZCNNSNEGSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670989678 1078889518 /nfs/dbraw/zinc/88/95/18/1078889518.db2.gz ZBXSFPPOWRWPRH-ZCNNSNEGSA-N 2 1 407.603 0.709 20 0 HCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670989678 1078889515 /nfs/dbraw/zinc/88/95/15/1078889515.db2.gz ZBXSFPPOWRWPRH-ZCNNSNEGSA-N 2 1 407.603 0.709 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)CC1 ZINC000670991700 1078890120 /nfs/dbraw/zinc/89/01/20/1078890120.db2.gz PPWGFKLJPNQRPZ-ACRUOGEOSA-N 2 1 413.566 0.834 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000670991701 1078890009 /nfs/dbraw/zinc/89/00/09/1078890009.db2.gz PPWGFKLJPNQRPZ-HBMCJLEFSA-N 2 1 413.566 0.834 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)CC1 ZINC000670991702 1078890045 /nfs/dbraw/zinc/89/00/45/1078890045.db2.gz PPWGFKLJPNQRPZ-HKBOAZHASA-N 2 1 413.566 0.834 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000670991703 1078890230 /nfs/dbraw/zinc/89/02/30/1078890230.db2.gz PPWGFKLJPNQRPZ-NJYVYQBISA-N 2 1 413.566 0.834 20 0 HCADMP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991751 1078890583 /nfs/dbraw/zinc/89/05/83/1078890583.db2.gz ZDAWLTRAGNFODN-LEWJYISDSA-N 2 1 413.566 0.692 20 0 HCADMP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991752 1078890545 /nfs/dbraw/zinc/89/05/45/1078890545.db2.gz ZDAWLTRAGNFODN-NHCUHLMSSA-N 2 1 413.566 0.692 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991753 1078890511 /nfs/dbraw/zinc/89/05/11/1078890511.db2.gz ZDAWLTRAGNFODN-RTWAWAEBSA-N 2 1 413.566 0.692 20 0 HCADMP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991754 1078890496 /nfs/dbraw/zinc/89/04/96/1078890496.db2.gz ZDAWLTRAGNFODN-SFTDATJTSA-N 2 1 413.566 0.692 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000670995925 1078893858 /nfs/dbraw/zinc/89/38/58/1078893858.db2.gz NGMGNRSHTCNJMM-UXHICEINSA-N 2 1 401.555 0.692 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000670995926 1078893893 /nfs/dbraw/zinc/89/38/93/1078893893.db2.gz NGMGNRSHTCNJMM-VQTJNVASSA-N 2 1 401.555 0.692 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000670995927 1078893959 /nfs/dbraw/zinc/89/39/59/1078893959.db2.gz NGMGNRSHTCNJMM-WOJBJXKFSA-N 2 1 401.555 0.692 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)CC1 ZINC000670997254 1078895243 /nfs/dbraw/zinc/89/52/43/1078895243.db2.gz CLGJMXVDJFJNAN-IBGZPJMESA-N 2 1 407.603 0.994 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)CC1 ZINC000670997255 1078895357 /nfs/dbraw/zinc/89/53/57/1078895357.db2.gz CLGJMXVDJFJNAN-LJQANCHMSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000670997516 1078894754 /nfs/dbraw/zinc/89/47/54/1078894754.db2.gz UJKBCNDVXGOPFR-FXAWDEMLSA-N 2 1 402.539 0.860 20 0 HCADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000670997517 1078894880 /nfs/dbraw/zinc/89/48/80/1078894880.db2.gz UJKBCNDVXGOPFR-PXNSSMCTSA-N 2 1 402.539 0.860 20 0 HCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000670997518 1078894836 /nfs/dbraw/zinc/89/48/36/1078894836.db2.gz UJKBCNDVXGOPFR-XLIONFOSSA-N 2 1 402.539 0.860 20 0 HCADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000670997519 1078894912 /nfs/dbraw/zinc/89/49/12/1078894912.db2.gz UJKBCNDVXGOPFR-YLJYHZDGSA-N 2 1 402.539 0.860 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671019213 1078932993 /nfs/dbraw/zinc/93/29/93/1078932993.db2.gz RGSVVTOHXMMVKR-FQEVSTJZSA-N 2 1 413.566 0.915 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671019214 1078932967 /nfs/dbraw/zinc/93/29/67/1078932967.db2.gz RGSVVTOHXMMVKR-HXUWFJFHSA-N 2 1 413.566 0.915 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671031496 1078964562 /nfs/dbraw/zinc/96/45/62/1078964562.db2.gz LHKYSXWMKYXOIT-IBGZPJMESA-N 2 1 407.603 0.899 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671031496 1078964552 /nfs/dbraw/zinc/96/45/52/1078964552.db2.gz LHKYSXWMKYXOIT-IBGZPJMESA-N 2 1 407.603 0.899 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671031497 1078964178 /nfs/dbraw/zinc/96/41/78/1078964178.db2.gz LHKYSXWMKYXOIT-LJQANCHMSA-N 2 1 407.603 0.899 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671031497 1078964164 /nfs/dbraw/zinc/96/41/64/1078964164.db2.gz LHKYSXWMKYXOIT-LJQANCHMSA-N 2 1 407.603 0.899 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671031501 1078964480 /nfs/dbraw/zinc/96/44/80/1078964480.db2.gz MJVRMVDMRSQIGC-FQEVSTJZSA-N 2 1 407.603 0.853 20 0 HCADMP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000671031502 1078964583 /nfs/dbraw/zinc/96/45/83/1078964583.db2.gz MJVRMVDMRSQIGC-HXUWFJFHSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000671031946 1078963671 /nfs/dbraw/zinc/96/36/71/1078963671.db2.gz GMPSPNWRTUHMHN-KDURUIRLSA-N 2 1 424.586 0.563 20 0 HCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032128 1078967775 /nfs/dbraw/zinc/96/77/75/1078967775.db2.gz ZXUJGPMWKWWJGX-FQEVSTJZSA-N 2 1 402.539 0.948 20 0 HCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032129 1078967290 /nfs/dbraw/zinc/96/72/90/1078967290.db2.gz ZXUJGPMWKWWJGX-HXUWFJFHSA-N 2 1 402.539 0.948 20 0 HCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671032596 1078966704 /nfs/dbraw/zinc/96/67/04/1078966704.db2.gz UJFOHQUOUNGFDE-PMACEKPBSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671032596 1078966698 /nfs/dbraw/zinc/96/66/98/1078966698.db2.gz UJFOHQUOUNGFDE-PMACEKPBSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671032596 1078966692 /nfs/dbraw/zinc/96/66/92/1078966692.db2.gz UJFOHQUOUNGFDE-PMACEKPBSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671032597 1078966934 /nfs/dbraw/zinc/96/69/34/1078966934.db2.gz UJFOHQUOUNGFDE-UXHICEINSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671032597 1078966919 /nfs/dbraw/zinc/96/69/19/1078966919.db2.gz UJFOHQUOUNGFDE-UXHICEINSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671032597 1078966905 /nfs/dbraw/zinc/96/69/05/1078966905.db2.gz UJFOHQUOUNGFDE-UXHICEINSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671032598 1078966583 /nfs/dbraw/zinc/96/65/83/1078966583.db2.gz UJFOHQUOUNGFDE-VQTJNVASSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671032598 1078966578 /nfs/dbraw/zinc/96/65/78/1078966578.db2.gz UJFOHQUOUNGFDE-VQTJNVASSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671032598 1078966574 /nfs/dbraw/zinc/96/65/74/1078966574.db2.gz UJFOHQUOUNGFDE-VQTJNVASSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671032599 1078966879 /nfs/dbraw/zinc/96/68/79/1078966879.db2.gz UJFOHQUOUNGFDE-WOJBJXKFSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671032599 1078966868 /nfs/dbraw/zinc/96/68/68/1078966868.db2.gz UJFOHQUOUNGFDE-WOJBJXKFSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671032599 1078966856 /nfs/dbraw/zinc/96/68/56/1078966856.db2.gz UJFOHQUOUNGFDE-WOJBJXKFSA-N 2 1 407.603 0.996 20 0 HCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000671033302 1078970988 /nfs/dbraw/zinc/97/09/88/1078970988.db2.gz OOFYRQBCTVDYEL-NRFANRHFSA-N 2 1 415.582 0.863 20 0 HCADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000671033302 1078970981 /nfs/dbraw/zinc/97/09/81/1078970981.db2.gz OOFYRQBCTVDYEL-NRFANRHFSA-N 2 1 415.582 0.863 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000671033302 1078970968 /nfs/dbraw/zinc/97/09/68/1078970968.db2.gz OOFYRQBCTVDYEL-NRFANRHFSA-N 2 1 415.582 0.863 20 0 HCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000671033303 1078971139 /nfs/dbraw/zinc/97/11/39/1078971139.db2.gz OOFYRQBCTVDYEL-OAQYLSRUSA-N 2 1 415.582 0.863 20 0 HCADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000671033303 1078971131 /nfs/dbraw/zinc/97/11/31/1078971131.db2.gz OOFYRQBCTVDYEL-OAQYLSRUSA-N 2 1 415.582 0.863 20 0 HCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000671033303 1078971111 /nfs/dbraw/zinc/97/11/11/1078971111.db2.gz OOFYRQBCTVDYEL-OAQYLSRUSA-N 2 1 415.582 0.863 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671034185 1078969361 /nfs/dbraw/zinc/96/93/61/1078969361.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671034185 1078969355 /nfs/dbraw/zinc/96/93/55/1078969355.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034185 1078969341 /nfs/dbraw/zinc/96/93/41/1078969341.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034185 1078969325 /nfs/dbraw/zinc/96/93/25/1078969325.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034185 1078969316 /nfs/dbraw/zinc/96/93/16/1078969316.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671034187 1078969161 /nfs/dbraw/zinc/96/91/61/1078969161.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671034187 1078969150 /nfs/dbraw/zinc/96/91/50/1078969150.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034187 1078969141 /nfs/dbraw/zinc/96/91/41/1078969141.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034187 1078969132 /nfs/dbraw/zinc/96/91/32/1078969132.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034187 1078969127 /nfs/dbraw/zinc/96/91/27/1078969127.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671034189 1078969040 /nfs/dbraw/zinc/96/90/40/1078969040.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671034189 1078969030 /nfs/dbraw/zinc/96/90/30/1078969030.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034189 1078969023 /nfs/dbraw/zinc/96/90/23/1078969023.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034189 1078969019 /nfs/dbraw/zinc/96/90/19/1078969019.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034189 1078969015 /nfs/dbraw/zinc/96/90/15/1078969015.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671034191 1078969516 /nfs/dbraw/zinc/96/95/16/1078969516.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671034191 1078969504 /nfs/dbraw/zinc/96/95/04/1078969504.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034191 1078969496 /nfs/dbraw/zinc/96/94/96/1078969496.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671034191 1078969483 /nfs/dbraw/zinc/96/94/83/1078969483.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034191 1078969476 /nfs/dbraw/zinc/96/94/76/1078969476.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000671034411 1078968667 /nfs/dbraw/zinc/96/86/67/1078968667.db2.gz ZMTIDIIPVWTTKL-PMACEKPBSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000671034411 1078968658 /nfs/dbraw/zinc/96/86/58/1078968658.db2.gz ZMTIDIIPVWTTKL-PMACEKPBSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034411 1078968651 /nfs/dbraw/zinc/96/86/51/1078968651.db2.gz ZMTIDIIPVWTTKL-PMACEKPBSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000671034413 1078968343 /nfs/dbraw/zinc/96/83/43/1078968343.db2.gz ZMTIDIIPVWTTKL-UXHICEINSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000671034413 1078968327 /nfs/dbraw/zinc/96/83/27/1078968327.db2.gz ZMTIDIIPVWTTKL-UXHICEINSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034413 1078968314 /nfs/dbraw/zinc/96/83/14/1078968314.db2.gz ZMTIDIIPVWTTKL-UXHICEINSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000671034415 1078969097 /nfs/dbraw/zinc/96/90/97/1078969097.db2.gz ZMTIDIIPVWTTKL-VQTJNVASSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000671034415 1078969094 /nfs/dbraw/zinc/96/90/94/1078969094.db2.gz ZMTIDIIPVWTTKL-VQTJNVASSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034415 1078969089 /nfs/dbraw/zinc/96/90/89/1078969089.db2.gz ZMTIDIIPVWTTKL-VQTJNVASSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000671034417 1078969710 /nfs/dbraw/zinc/96/97/10/1078969710.db2.gz ZMTIDIIPVWTTKL-WOJBJXKFSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000671034417 1078969700 /nfs/dbraw/zinc/96/97/00/1078969700.db2.gz ZMTIDIIPVWTTKL-WOJBJXKFSA-N 2 1 407.603 0.853 20 0 HCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034417 1078969691 /nfs/dbraw/zinc/96/96/91/1078969691.db2.gz ZMTIDIIPVWTTKL-WOJBJXKFSA-N 2 1 407.603 0.853 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000671034615 1078968689 /nfs/dbraw/zinc/96/86/89/1078968689.db2.gz VAKYGZPBIFRJAW-UHFFFAOYSA-N 2 1 407.603 0.997 20 0 HCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671034756 1078971994 /nfs/dbraw/zinc/97/19/94/1078971994.db2.gz BMRCIZQMRYMJDI-UHFFFAOYSA-N 2 1 402.543 0.264 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057990 1079000896 /nfs/dbraw/zinc/00/08/96/1079000896.db2.gz MJHJDSKFPZFUQW-AZUAARDMSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057990 1079000887 /nfs/dbraw/zinc/00/08/87/1079000887.db2.gz MJHJDSKFPZFUQW-AZUAARDMSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057995 1079000737 /nfs/dbraw/zinc/00/07/37/1079000737.db2.gz MJHJDSKFPZFUQW-ICSRJNTNSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057995 1079000728 /nfs/dbraw/zinc/00/07/28/1079000728.db2.gz MJHJDSKFPZFUQW-ICSRJNTNSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057996 1079000559 /nfs/dbraw/zinc/00/05/59/1079000559.db2.gz MJHJDSKFPZFUQW-QUCCMNQESA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057996 1079000549 /nfs/dbraw/zinc/00/05/49/1079000549.db2.gz MJHJDSKFPZFUQW-QUCCMNQESA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057997 1079000780 /nfs/dbraw/zinc/00/07/80/1079000780.db2.gz MJHJDSKFPZFUQW-UYAOXDASSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000671057997 1079000774 /nfs/dbraw/zinc/00/07/74/1079000774.db2.gz MJHJDSKFPZFUQW-UYAOXDASSA-N 2 1 413.566 0.914 20 0 HCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671059919 1079002546 /nfs/dbraw/zinc/00/25/46/1079002546.db2.gz NTJLXDLFALAQGM-IBGZPJMESA-N 2 1 401.555 0.834 20 0 HCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671059920 1079002459 /nfs/dbraw/zinc/00/24/59/1079002459.db2.gz NTJLXDLFALAQGM-LJQANCHMSA-N 2 1 401.555 0.834 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000671060317 1079005082 /nfs/dbraw/zinc/00/50/82/1079005082.db2.gz CEZIOTDDNFVLEQ-UHFFFAOYSA-N 2 1 421.586 0.428 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000671060415 1079003899 /nfs/dbraw/zinc/00/38/99/1079003899.db2.gz MKKXDPGBZGEQNM-IBGZPJMESA-N 2 1 415.538 0.046 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671060415 1079003886 /nfs/dbraw/zinc/00/38/86/1079003886.db2.gz MKKXDPGBZGEQNM-IBGZPJMESA-N 2 1 415.538 0.046 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000671060417 1079004018 /nfs/dbraw/zinc/00/40/18/1079004018.db2.gz MKKXDPGBZGEQNM-LJQANCHMSA-N 2 1 415.538 0.046 20 0 HCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671060417 1079004012 /nfs/dbraw/zinc/00/40/12/1079004012.db2.gz MKKXDPGBZGEQNM-LJQANCHMSA-N 2 1 415.538 0.046 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000671062461 1079009287 /nfs/dbraw/zinc/00/92/87/1079009287.db2.gz BLHNUBVLOIBBKF-GOSISDBHSA-N 2 1 407.559 0.180 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000671062462 1079009189 /nfs/dbraw/zinc/00/91/89/1079009189.db2.gz BLHNUBVLOIBBKF-SFHVURJKSA-N 2 1 407.559 0.180 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000671062557 1079009896 /nfs/dbraw/zinc/00/98/96/1079009896.db2.gz PSOAFXZFXLCPEL-UHFFFAOYSA-N 2 1 409.575 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000671062557 1079009890 /nfs/dbraw/zinc/00/98/90/1079009890.db2.gz PSOAFXZFXLCPEL-UHFFFAOYSA-N 2 1 409.575 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000671062625 1079009371 /nfs/dbraw/zinc/00/93/71/1079009371.db2.gz WREPHAKECJLFPH-GOSISDBHSA-N 2 1 409.575 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000671062625 1079009363 /nfs/dbraw/zinc/00/93/63/1079009363.db2.gz WREPHAKECJLFPH-GOSISDBHSA-N 2 1 409.575 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000671062626 1079009488 /nfs/dbraw/zinc/00/94/88/1079009488.db2.gz WREPHAKECJLFPH-SFHVURJKSA-N 2 1 409.575 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000671062626 1079009483 /nfs/dbraw/zinc/00/94/83/1079009483.db2.gz WREPHAKECJLFPH-SFHVURJKSA-N 2 1 409.575 0.426 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000671062638 1079009399 /nfs/dbraw/zinc/00/93/99/1079009399.db2.gz YSDVYSNFNUENPU-KRWDZBQOSA-N 2 1 409.575 0.330 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000671062638 1079009390 /nfs/dbraw/zinc/00/93/90/1079009390.db2.gz YSDVYSNFNUENPU-KRWDZBQOSA-N 2 1 409.575 0.330 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000671062643 1079009247 /nfs/dbraw/zinc/00/92/47/1079009247.db2.gz YSDVYSNFNUENPU-QGZVFWFLSA-N 2 1 409.575 0.330 20 0 HCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000671062643 1079009237 /nfs/dbraw/zinc/00/92/37/1079009237.db2.gz YSDVYSNFNUENPU-QGZVFWFLSA-N 2 1 409.575 0.330 20 0 HCADMP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671071347 1079019678 /nfs/dbraw/zinc/01/96/78/1079019678.db2.gz YJLQTSGEPNCZDL-FXAWDEMLSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671071347 1079019668 /nfs/dbraw/zinc/01/96/68/1079019668.db2.gz YJLQTSGEPNCZDL-FXAWDEMLSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671071348 1079019907 /nfs/dbraw/zinc/01/99/07/1079019907.db2.gz YJLQTSGEPNCZDL-PXNSSMCTSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671071348 1079019899 /nfs/dbraw/zinc/01/98/99/1079019899.db2.gz YJLQTSGEPNCZDL-PXNSSMCTSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671071349 1079019783 /nfs/dbraw/zinc/01/97/83/1079019783.db2.gz YJLQTSGEPNCZDL-XLIONFOSSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671071349 1079019774 /nfs/dbraw/zinc/01/97/74/1079019774.db2.gz YJLQTSGEPNCZDL-XLIONFOSSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671071350 1079019824 /nfs/dbraw/zinc/01/98/24/1079019824.db2.gz YJLQTSGEPNCZDL-YLJYHZDGSA-N 2 1 411.616 0.167 20 0 HCADMP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671071350 1079019816 /nfs/dbraw/zinc/01/98/16/1079019816.db2.gz YJLQTSGEPNCZDL-YLJYHZDGSA-N 2 1 411.616 0.167 20 0 HCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000671090770 1079035788 /nfs/dbraw/zinc/03/57/88/1079035788.db2.gz MJHKMXBLUAFKSU-FQEVSTJZSA-N 2 1 401.555 0.603 20 0 HCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000671090771 1079035991 /nfs/dbraw/zinc/03/59/91/1079035991.db2.gz MJHKMXBLUAFKSU-HXUWFJFHSA-N 2 1 401.555 0.603 20 0 HCADMP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671090808 1079035701 /nfs/dbraw/zinc/03/57/01/1079035701.db2.gz ZDPGAHUALPUSOI-NRFANRHFSA-N 2 1 415.582 0.991 20 0 HCADMP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671090808 1079035687 /nfs/dbraw/zinc/03/56/87/1079035687.db2.gz ZDPGAHUALPUSOI-NRFANRHFSA-N 2 1 415.582 0.991 20 0 HCADMP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671090809 1079036028 /nfs/dbraw/zinc/03/60/28/1079036028.db2.gz ZDPGAHUALPUSOI-OAQYLSRUSA-N 2 1 415.582 0.991 20 0 HCADMP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671090809 1079036025 /nfs/dbraw/zinc/03/60/25/1079036025.db2.gz ZDPGAHUALPUSOI-OAQYLSRUSA-N 2 1 415.582 0.991 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000671090810 1079035947 /nfs/dbraw/zinc/03/59/47/1079035947.db2.gz ZRALLDRUQGWLGV-IBGZPJMESA-N 2 1 401.555 0.649 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000671090810 1079035939 /nfs/dbraw/zinc/03/59/39/1079035939.db2.gz ZRALLDRUQGWLGV-IBGZPJMESA-N 2 1 401.555 0.649 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000671090811 1079035751 /nfs/dbraw/zinc/03/57/51/1079035751.db2.gz ZRALLDRUQGWLGV-LJQANCHMSA-N 2 1 401.555 0.649 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000671090811 1079035740 /nfs/dbraw/zinc/03/57/40/1079035740.db2.gz ZRALLDRUQGWLGV-LJQANCHMSA-N 2 1 401.555 0.649 20 0 HCADMP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671091211 1079037213 /nfs/dbraw/zinc/03/72/13/1079037213.db2.gz PGNYIBSXSHLFEA-FQEVSTJZSA-N 2 1 405.587 0.604 20 0 HCADMP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671091211 1079037206 /nfs/dbraw/zinc/03/72/06/1079037206.db2.gz PGNYIBSXSHLFEA-FQEVSTJZSA-N 2 1 405.587 0.604 20 0 HCADMP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671091212 1079037292 /nfs/dbraw/zinc/03/72/92/1079037292.db2.gz PGNYIBSXSHLFEA-HXUWFJFHSA-N 2 1 405.587 0.604 20 0 HCADMP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671091212 1079037286 /nfs/dbraw/zinc/03/72/86/1079037286.db2.gz PGNYIBSXSHLFEA-HXUWFJFHSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000671091803 1079036899 /nfs/dbraw/zinc/03/68/99/1079036899.db2.gz OMOLYSFDQXSYPW-UHFFFAOYSA-N 2 1 419.614 0.994 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccs2)CC1 ZINC000671099685 1079041603 /nfs/dbraw/zinc/04/16/03/1079041603.db2.gz GILHVAIQJASPNY-FGTMMUONSA-N 2 1 419.595 0.896 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccs2)CC1 ZINC000671099685 1079041597 /nfs/dbraw/zinc/04/15/97/1079041597.db2.gz GILHVAIQJASPNY-FGTMMUONSA-N 2 1 419.595 0.896 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccs2)CC1 ZINC000671099686 1079041659 /nfs/dbraw/zinc/04/16/59/1079041659.db2.gz GILHVAIQJASPNY-KZNAEPCWSA-N 2 1 419.595 0.896 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccs2)CC1 ZINC000671099686 1079041653 /nfs/dbraw/zinc/04/16/53/1079041653.db2.gz GILHVAIQJASPNY-KZNAEPCWSA-N 2 1 419.595 0.896 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccs2)CC1 ZINC000671099687 1079041749 /nfs/dbraw/zinc/04/17/49/1079041749.db2.gz GILHVAIQJASPNY-OKZBNKHCSA-N 2 1 419.595 0.896 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccs2)CC1 ZINC000671099687 1079041745 /nfs/dbraw/zinc/04/17/45/1079041745.db2.gz GILHVAIQJASPNY-OKZBNKHCSA-N 2 1 419.595 0.896 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671101096 1079042252 /nfs/dbraw/zinc/04/22/52/1079042252.db2.gz HVGZNZHTALGOMO-MSOLQXFVSA-N 2 1 421.586 0.472 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671101103 1079042343 /nfs/dbraw/zinc/04/23/43/1079042343.db2.gz HVGZNZHTALGOMO-QZTJIDSGSA-N 2 1 421.586 0.472 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671101105 1079042208 /nfs/dbraw/zinc/04/22/08/1079042208.db2.gz HVGZNZHTALGOMO-ROUUACIJSA-N 2 1 421.586 0.472 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671101108 1079042273 /nfs/dbraw/zinc/04/22/73/1079042273.db2.gz HVGZNZHTALGOMO-ZWKOTPCHSA-N 2 1 421.586 0.472 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000671101659 1079044197 /nfs/dbraw/zinc/04/41/97/1079044197.db2.gz SRFVSNQFSFKEQI-MOPGFXCFSA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000671101659 1079044191 /nfs/dbraw/zinc/04/41/91/1079044191.db2.gz SRFVSNQFSFKEQI-MOPGFXCFSA-N 2 1 405.587 0.796 20 0 HCADMP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101659 1079044185 /nfs/dbraw/zinc/04/41/85/1079044185.db2.gz SRFVSNQFSFKEQI-MOPGFXCFSA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000671101660 1079044252 /nfs/dbraw/zinc/04/42/52/1079044252.db2.gz SRFVSNQFSFKEQI-OALUTQOASA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)(N2CCCCC2)CC1 ZINC000671101660 1079044248 /nfs/dbraw/zinc/04/42/48/1079044248.db2.gz SRFVSNQFSFKEQI-OALUTQOASA-N 2 1 405.587 0.796 20 0 HCADMP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101660 1079044245 /nfs/dbraw/zinc/04/42/45/1079044245.db2.gz SRFVSNQFSFKEQI-OALUTQOASA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000671101661 1079044175 /nfs/dbraw/zinc/04/41/75/1079044175.db2.gz SRFVSNQFSFKEQI-RBUKOAKNSA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000671101661 1079044173 /nfs/dbraw/zinc/04/41/73/1079044173.db2.gz SRFVSNQFSFKEQI-RBUKOAKNSA-N 2 1 405.587 0.796 20 0 HCADMP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101661 1079044171 /nfs/dbraw/zinc/04/41/71/1079044171.db2.gz SRFVSNQFSFKEQI-RBUKOAKNSA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000671101662 1079044109 /nfs/dbraw/zinc/04/41/09/1079044109.db2.gz SRFVSNQFSFKEQI-RTBURBONSA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCCCC2)CC1 ZINC000671101662 1079044102 /nfs/dbraw/zinc/04/41/02/1079044102.db2.gz SRFVSNQFSFKEQI-RTBURBONSA-N 2 1 405.587 0.796 20 0 HCADMP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101662 1079044095 /nfs/dbraw/zinc/04/40/95/1079044095.db2.gz SRFVSNQFSFKEQI-RTBURBONSA-N 2 1 405.587 0.796 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671101867 1079043702 /nfs/dbraw/zinc/04/37/02/1079043702.db2.gz LZQUILSWJAQPPP-MOPGFXCFSA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671101867 1079043695 /nfs/dbraw/zinc/04/36/95/1079043695.db2.gz LZQUILSWJAQPPP-MOPGFXCFSA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671101871 1079043622 /nfs/dbraw/zinc/04/36/22/1079043622.db2.gz LZQUILSWJAQPPP-OALUTQOASA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671101871 1079043615 /nfs/dbraw/zinc/04/36/15/1079043615.db2.gz LZQUILSWJAQPPP-OALUTQOASA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671101872 1079043520 /nfs/dbraw/zinc/04/35/20/1079043520.db2.gz LZQUILSWJAQPPP-RBUKOAKNSA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671101872 1079043517 /nfs/dbraw/zinc/04/35/17/1079043517.db2.gz LZQUILSWJAQPPP-RBUKOAKNSA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671101874 1079043739 /nfs/dbraw/zinc/04/37/39/1079043739.db2.gz LZQUILSWJAQPPP-RTBURBONSA-N 2 1 419.570 0.132 20 0 HCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671101874 1079043734 /nfs/dbraw/zinc/04/37/34/1079043734.db2.gz LZQUILSWJAQPPP-RTBURBONSA-N 2 1 419.570 0.132 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671102840 1079045236 /nfs/dbraw/zinc/04/52/36/1079045236.db2.gz ACUYFAQMJMUNIA-AZUAARDMSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671102852 1079045164 /nfs/dbraw/zinc/04/51/64/1079045164.db2.gz ACUYFAQMJMUNIA-ICSRJNTNSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671102853 1079045255 /nfs/dbraw/zinc/04/52/55/1079045255.db2.gz ACUYFAQMJMUNIA-QUCCMNQESA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671102854 1079045308 /nfs/dbraw/zinc/04/53/08/1079045308.db2.gz ACUYFAQMJMUNIA-UYAOXDASSA-N 2 1 405.587 0.746 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000671102964 1079043775 /nfs/dbraw/zinc/04/37/75/1079043775.db2.gz BFAOXEYZWCJTDF-MOPGFXCFSA-N 2 1 415.538 0.337 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000671102968 1079043636 /nfs/dbraw/zinc/04/36/36/1079043636.db2.gz BFAOXEYZWCJTDF-OALUTQOASA-N 2 1 415.538 0.337 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000671102971 1079043563 /nfs/dbraw/zinc/04/35/63/1079043563.db2.gz BFAOXEYZWCJTDF-RBUKOAKNSA-N 2 1 415.538 0.337 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000671102974 1079043654 /nfs/dbraw/zinc/04/36/54/1079043654.db2.gz BFAOXEYZWCJTDF-RTBURBONSA-N 2 1 415.538 0.337 20 0 HCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104915 1079046290 /nfs/dbraw/zinc/04/62/90/1079046290.db2.gz MVWYWITXPBSBHI-CVEARBPZSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104915 1079046283 /nfs/dbraw/zinc/04/62/83/1079046283.db2.gz MVWYWITXPBSBHI-CVEARBPZSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104932 1079046119 /nfs/dbraw/zinc/04/61/19/1079046119.db2.gz MVWYWITXPBSBHI-HOTGVXAUSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104932 1079046113 /nfs/dbraw/zinc/04/61/13/1079046113.db2.gz MVWYWITXPBSBHI-HOTGVXAUSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104935 1079046168 /nfs/dbraw/zinc/04/61/68/1079046168.db2.gz MVWYWITXPBSBHI-HZPDHXFCSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104935 1079046161 /nfs/dbraw/zinc/04/61/61/1079046161.db2.gz MVWYWITXPBSBHI-HZPDHXFCSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104940 1079046356 /nfs/dbraw/zinc/04/63/56/1079046356.db2.gz MVWYWITXPBSBHI-JKSUJKDBSA-N 2 1 420.476 0.843 20 0 HCADMP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000671104940 1079046353 /nfs/dbraw/zinc/04/63/53/1079046353.db2.gz MVWYWITXPBSBHI-JKSUJKDBSA-N 2 1 420.476 0.843 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671105478 1079048307 /nfs/dbraw/zinc/04/83/07/1079048307.db2.gz LVZCGVYYRYSZLK-IYWMVGAKSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671105478 1079048301 /nfs/dbraw/zinc/04/83/01/1079048301.db2.gz LVZCGVYYRYSZLK-IYWMVGAKSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671105478 1079048295 /nfs/dbraw/zinc/04/82/95/1079048295.db2.gz LVZCGVYYRYSZLK-IYWMVGAKSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671105479 1079048158 /nfs/dbraw/zinc/04/81/58/1079048158.db2.gz LVZCGVYYRYSZLK-WCIQWLHISA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671105479 1079048154 /nfs/dbraw/zinc/04/81/54/1079048154.db2.gz LVZCGVYYRYSZLK-WCIQWLHISA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671105479 1079048147 /nfs/dbraw/zinc/04/81/47/1079048147.db2.gz LVZCGVYYRYSZLK-WCIQWLHISA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671105480 1079048249 /nfs/dbraw/zinc/04/82/49/1079048249.db2.gz LVZCGVYYRYSZLK-YRPNKDGESA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671105480 1079048244 /nfs/dbraw/zinc/04/82/44/1079048244.db2.gz LVZCGVYYRYSZLK-YRPNKDGESA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671105480 1079048238 /nfs/dbraw/zinc/04/82/38/1079048238.db2.gz LVZCGVYYRYSZLK-YRPNKDGESA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671105481 1079048355 /nfs/dbraw/zinc/04/83/55/1079048355.db2.gz LVZCGVYYRYSZLK-ZGXWSNOMSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671105481 1079048349 /nfs/dbraw/zinc/04/83/49/1079048349.db2.gz LVZCGVYYRYSZLK-ZGXWSNOMSA-N 2 1 405.587 0.746 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671105481 1079048345 /nfs/dbraw/zinc/04/83/45/1079048345.db2.gz LVZCGVYYRYSZLK-ZGXWSNOMSA-N 2 1 405.587 0.746 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105677 1079047552 /nfs/dbraw/zinc/04/75/52/1079047552.db2.gz NTWODLFDTPARRP-MSOLQXFVSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105677 1079047546 /nfs/dbraw/zinc/04/75/46/1079047546.db2.gz NTWODLFDTPARRP-MSOLQXFVSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105680 1079048118 /nfs/dbraw/zinc/04/81/18/1079048118.db2.gz NTWODLFDTPARRP-QZTJIDSGSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105680 1079048110 /nfs/dbraw/zinc/04/81/10/1079048110.db2.gz NTWODLFDTPARRP-QZTJIDSGSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105683 1079048192 /nfs/dbraw/zinc/04/81/92/1079048192.db2.gz NTWODLFDTPARRP-ROUUACIJSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105683 1079048187 /nfs/dbraw/zinc/04/81/87/1079048187.db2.gz NTWODLFDTPARRP-ROUUACIJSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105685 1079048334 /nfs/dbraw/zinc/04/83/34/1079048334.db2.gz NTWODLFDTPARRP-ZWKOTPCHSA-N 2 1 400.527 0.921 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000671105685 1079048331 /nfs/dbraw/zinc/04/83/31/1079048331.db2.gz NTWODLFDTPARRP-ZWKOTPCHSA-N 2 1 400.527 0.921 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105922 1079047736 /nfs/dbraw/zinc/04/77/36/1079047736.db2.gz WUYYKOHXNWZMRH-AZUAARDMSA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105922 1079047731 /nfs/dbraw/zinc/04/77/31/1079047731.db2.gz WUYYKOHXNWZMRH-AZUAARDMSA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105922 1079047724 /nfs/dbraw/zinc/04/77/24/1079047724.db2.gz WUYYKOHXNWZMRH-AZUAARDMSA-N 3 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105923 1079047633 /nfs/dbraw/zinc/04/76/33/1079047633.db2.gz WUYYKOHXNWZMRH-ICSRJNTNSA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105923 1079047625 /nfs/dbraw/zinc/04/76/25/1079047625.db2.gz WUYYKOHXNWZMRH-ICSRJNTNSA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105923 1079047618 /nfs/dbraw/zinc/04/76/18/1079047618.db2.gz WUYYKOHXNWZMRH-ICSRJNTNSA-N 3 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105924 1079047587 /nfs/dbraw/zinc/04/75/87/1079047587.db2.gz WUYYKOHXNWZMRH-QUCCMNQESA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105924 1079047580 /nfs/dbraw/zinc/04/75/80/1079047580.db2.gz WUYYKOHXNWZMRH-QUCCMNQESA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105924 1079047572 /nfs/dbraw/zinc/04/75/72/1079047572.db2.gz WUYYKOHXNWZMRH-QUCCMNQESA-N 3 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105926 1079047835 /nfs/dbraw/zinc/04/78/35/1079047835.db2.gz WUYYKOHXNWZMRH-UYAOXDASSA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105926 1079047832 /nfs/dbraw/zinc/04/78/32/1079047832.db2.gz WUYYKOHXNWZMRH-UYAOXDASSA-N 2 1 414.554 0.453 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105926 1079047829 /nfs/dbraw/zinc/04/78/29/1079047829.db2.gz WUYYKOHXNWZMRH-UYAOXDASSA-N 3 1 414.554 0.453 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671107373 1079051219 /nfs/dbraw/zinc/05/12/19/1079051219.db2.gz OJRZRGAZAPQFNN-MOPGFXCFSA-N 2 1 405.587 0.606 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671107374 1079051190 /nfs/dbraw/zinc/05/11/90/1079051190.db2.gz OJRZRGAZAPQFNN-OALUTQOASA-N 2 1 405.587 0.606 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671107375 1079051119 /nfs/dbraw/zinc/05/11/19/1079051119.db2.gz OJRZRGAZAPQFNN-RBUKOAKNSA-N 2 1 405.587 0.606 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671107376 1079051010 /nfs/dbraw/zinc/05/10/10/1079051010.db2.gz OJRZRGAZAPQFNN-RTBURBONSA-N 2 1 405.587 0.606 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671107654 1079049884 /nfs/dbraw/zinc/04/98/84/1079049884.db2.gz JNZAIJWCTOZDBP-MSOLQXFVSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671107655 1079049678 /nfs/dbraw/zinc/04/96/78/1079049678.db2.gz JNZAIJWCTOZDBP-QZTJIDSGSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671107656 1079049576 /nfs/dbraw/zinc/04/95/76/1079049576.db2.gz JNZAIJWCTOZDBP-ROUUACIJSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671107657 1079049772 /nfs/dbraw/zinc/04/97/72/1079049772.db2.gz JNZAIJWCTOZDBP-ZWKOTPCHSA-N 2 1 400.527 0.193 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671109325 1079052017 /nfs/dbraw/zinc/05/20/17/1079052017.db2.gz ULROMTBPDZVHFZ-AABGKKOBSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671109325 1079052012 /nfs/dbraw/zinc/05/20/12/1079052012.db2.gz ULROMTBPDZVHFZ-AABGKKOBSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671109325 1079052010 /nfs/dbraw/zinc/05/20/10/1079052010.db2.gz ULROMTBPDZVHFZ-AABGKKOBSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671109327 1079051995 /nfs/dbraw/zinc/05/19/95/1079051995.db2.gz ULROMTBPDZVHFZ-AQNXPRMDSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671109327 1079051991 /nfs/dbraw/zinc/05/19/91/1079051991.db2.gz ULROMTBPDZVHFZ-AQNXPRMDSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671109327 1079051990 /nfs/dbraw/zinc/05/19/90/1079051990.db2.gz ULROMTBPDZVHFZ-AQNXPRMDSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671109328 1079052049 /nfs/dbraw/zinc/05/20/49/1079052049.db2.gz ULROMTBPDZVHFZ-UFYCRDLUSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671109328 1079052046 /nfs/dbraw/zinc/05/20/46/1079052046.db2.gz ULROMTBPDZVHFZ-UFYCRDLUSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671109328 1079052044 /nfs/dbraw/zinc/05/20/44/1079052044.db2.gz ULROMTBPDZVHFZ-UFYCRDLUSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671109329 1079051925 /nfs/dbraw/zinc/05/19/25/1079051925.db2.gz ULROMTBPDZVHFZ-ZCNNSNEGSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671109329 1079051914 /nfs/dbraw/zinc/05/19/14/1079051914.db2.gz ULROMTBPDZVHFZ-ZCNNSNEGSA-N 2 1 400.523 0.612 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671109329 1079051907 /nfs/dbraw/zinc/05/19/07/1079051907.db2.gz ULROMTBPDZVHFZ-ZCNNSNEGSA-N 2 1 400.523 0.612 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000671122831 1079058365 /nfs/dbraw/zinc/05/83/65/1079058365.db2.gz ULHLDMIYLFEATN-GOSISDBHSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000671122831 1079058362 /nfs/dbraw/zinc/05/83/62/1079058362.db2.gz ULHLDMIYLFEATN-GOSISDBHSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000671122831 1079058359 /nfs/dbraw/zinc/05/83/59/1079058359.db2.gz ULHLDMIYLFEATN-GOSISDBHSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000671122832 1079058403 /nfs/dbraw/zinc/05/84/03/1079058403.db2.gz ULHLDMIYLFEATN-SFHVURJKSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000671122832 1079058398 /nfs/dbraw/zinc/05/83/98/1079058398.db2.gz ULHLDMIYLFEATN-SFHVURJKSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000671122832 1079058394 /nfs/dbraw/zinc/05/83/94/1079058394.db2.gz ULHLDMIYLFEATN-SFHVURJKSA-N 2 1 405.587 0.604 20 0 HCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000671134591 1079065896 /nfs/dbraw/zinc/06/58/96/1079065896.db2.gz QWLZLKUUNDQBJK-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000671134591 1079065889 /nfs/dbraw/zinc/06/58/89/1079065889.db2.gz QWLZLKUUNDQBJK-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671134591 1079065882 /nfs/dbraw/zinc/06/58/82/1079065882.db2.gz QWLZLKUUNDQBJK-UHFFFAOYSA-N 2 1 411.591 0.088 20 0 HCADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671139185 1079071593 /nfs/dbraw/zinc/07/15/93/1079071593.db2.gz YGJXQPRFZOFAMK-NRFANRHFSA-N 2 1 415.582 0.911 20 0 HCADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671139186 1079071566 /nfs/dbraw/zinc/07/15/66/1079071566.db2.gz YGJXQPRFZOFAMK-OAQYLSRUSA-N 2 1 415.582 0.911 20 0 HCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000671146113 1079076886 /nfs/dbraw/zinc/07/68/86/1079076886.db2.gz PBBVJBYHZWZPKA-FQEVSTJZSA-N 2 1 403.571 0.719 20 0 HCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671146113 1079076883 /nfs/dbraw/zinc/07/68/83/1079076883.db2.gz PBBVJBYHZWZPKA-FQEVSTJZSA-N 3 1 403.571 0.719 20 0 HCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000671146114 1079077398 /nfs/dbraw/zinc/07/73/98/1079077398.db2.gz PBBVJBYHZWZPKA-HXUWFJFHSA-N 2 1 403.571 0.719 20 0 HCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671146114 1079077396 /nfs/dbraw/zinc/07/73/96/1079077396.db2.gz PBBVJBYHZWZPKA-HXUWFJFHSA-N 3 1 403.571 0.719 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)CC1 ZINC000671170510 1079091897 /nfs/dbraw/zinc/09/18/97/1079091897.db2.gz IQDUOBCEVPIJKU-IBGZPJMESA-N 2 1 407.603 0.852 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)CC1 ZINC000671170511 1079091813 /nfs/dbraw/zinc/09/18/13/1079091813.db2.gz IQDUOBCEVPIJKU-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172075 1079090160 /nfs/dbraw/zinc/09/01/60/1079090160.db2.gz LQGJXAIVHPHNDI-CTNGQTDRSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172075 1079090157 /nfs/dbraw/zinc/09/01/57/1079090157.db2.gz LQGJXAIVHPHNDI-CTNGQTDRSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172075 1079090152 /nfs/dbraw/zinc/09/01/52/1079090152.db2.gz LQGJXAIVHPHNDI-CTNGQTDRSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172076 1079090087 /nfs/dbraw/zinc/09/00/87/1079090087.db2.gz LQGJXAIVHPHNDI-FPOVZHCZSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172076 1079090085 /nfs/dbraw/zinc/09/00/85/1079090085.db2.gz LQGJXAIVHPHNDI-FPOVZHCZSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172076 1079090081 /nfs/dbraw/zinc/09/00/81/1079090081.db2.gz LQGJXAIVHPHNDI-FPOVZHCZSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172077 1079090008 /nfs/dbraw/zinc/09/00/08/1079090008.db2.gz LQGJXAIVHPHNDI-PZJWPPBQSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172077 1079090004 /nfs/dbraw/zinc/09/00/04/1079090004.db2.gz LQGJXAIVHPHNDI-PZJWPPBQSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172077 1079089998 /nfs/dbraw/zinc/08/99/98/1079089998.db2.gz LQGJXAIVHPHNDI-PZJWPPBQSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172078 1079090230 /nfs/dbraw/zinc/09/02/30/1079090230.db2.gz LQGJXAIVHPHNDI-TZIWHRDSSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671172078 1079090225 /nfs/dbraw/zinc/09/02/25/1079090225.db2.gz LQGJXAIVHPHNDI-TZIWHRDSSA-N 2 1 415.582 0.719 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172078 1079090217 /nfs/dbraw/zinc/09/02/17/1079090217.db2.gz LQGJXAIVHPHNDI-TZIWHRDSSA-N 2 1 415.582 0.719 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671173149 1079092882 /nfs/dbraw/zinc/09/28/82/1079092882.db2.gz GNTASEITPSJLAR-GOSISDBHSA-N 2 1 402.543 0.120 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671173150 1079092829 /nfs/dbraw/zinc/09/28/29/1079092829.db2.gz GNTASEITPSJLAR-SFHVURJKSA-N 2 1 402.543 0.120 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000671173428 1079096533 /nfs/dbraw/zinc/09/65/33/1079096533.db2.gz ZQPYVIYOMACHMF-PMACEKPBSA-N 2 1 407.603 0.853 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000671173429 1079096329 /nfs/dbraw/zinc/09/63/29/1079096329.db2.gz ZQPYVIYOMACHMF-UXHICEINSA-N 2 1 407.603 0.853 20 0 HCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000671173430 1079096395 /nfs/dbraw/zinc/09/63/95/1079096395.db2.gz ZQPYVIYOMACHMF-VQTJNVASSA-N 2 1 407.603 0.853 20 0 HCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000671173431 1079096505 /nfs/dbraw/zinc/09/65/05/1079096505.db2.gz ZQPYVIYOMACHMF-WOJBJXKFSA-N 2 1 407.603 0.853 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180859 1079098918 /nfs/dbraw/zinc/09/89/18/1079098918.db2.gz FZNSRHRZANLTRM-PMACEKPBSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180859 1079098909 /nfs/dbraw/zinc/09/89/09/1079098909.db2.gz FZNSRHRZANLTRM-PMACEKPBSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180859 1079098904 /nfs/dbraw/zinc/09/89/04/1079098904.db2.gz FZNSRHRZANLTRM-PMACEKPBSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180860 1079098777 /nfs/dbraw/zinc/09/87/77/1079098777.db2.gz FZNSRHRZANLTRM-UXHICEINSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180860 1079098771 /nfs/dbraw/zinc/09/87/71/1079098771.db2.gz FZNSRHRZANLTRM-UXHICEINSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180860 1079098765 /nfs/dbraw/zinc/09/87/65/1079098765.db2.gz FZNSRHRZANLTRM-UXHICEINSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180861 1079098890 /nfs/dbraw/zinc/09/88/90/1079098890.db2.gz FZNSRHRZANLTRM-VQTJNVASSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180861 1079098883 /nfs/dbraw/zinc/09/88/83/1079098883.db2.gz FZNSRHRZANLTRM-VQTJNVASSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180861 1079098874 /nfs/dbraw/zinc/09/88/74/1079098874.db2.gz FZNSRHRZANLTRM-VQTJNVASSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180862 1079098985 /nfs/dbraw/zinc/09/89/85/1079098985.db2.gz FZNSRHRZANLTRM-WOJBJXKFSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180862 1079098974 /nfs/dbraw/zinc/09/89/74/1079098974.db2.gz FZNSRHRZANLTRM-WOJBJXKFSA-N 2 1 405.587 0.746 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180862 1079098967 /nfs/dbraw/zinc/09/89/67/1079098967.db2.gz FZNSRHRZANLTRM-WOJBJXKFSA-N 2 1 405.587 0.746 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671181330 1079099948 /nfs/dbraw/zinc/09/99/48/1079099948.db2.gz MLXYCNHYGNEDJN-MSOLQXFVSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671181331 1079099789 /nfs/dbraw/zinc/09/97/89/1079099789.db2.gz MLXYCNHYGNEDJN-QZTJIDSGSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671181332 1079099905 /nfs/dbraw/zinc/09/99/05/1079099905.db2.gz MLXYCNHYGNEDJN-ROUUACIJSA-N 2 1 400.527 0.193 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671181333 1079099990 /nfs/dbraw/zinc/09/99/90/1079099990.db2.gz MLXYCNHYGNEDJN-ZWKOTPCHSA-N 2 1 400.527 0.193 20 0 HCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341917 1079228613 /nfs/dbraw/zinc/22/86/13/1079228613.db2.gz SVYSBQXRTVKDKZ-LEWJYISDSA-N 2 1 415.582 0.952 20 0 HCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341918 1079228871 /nfs/dbraw/zinc/22/88/71/1079228871.db2.gz SVYSBQXRTVKDKZ-NHCUHLMSSA-N 2 1 415.582 0.952 20 0 HCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341919 1079228740 /nfs/dbraw/zinc/22/87/40/1079228740.db2.gz SVYSBQXRTVKDKZ-RTWAWAEBSA-N 2 1 415.582 0.952 20 0 HCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341920 1079228852 /nfs/dbraw/zinc/22/88/52/1079228852.db2.gz SVYSBQXRTVKDKZ-SFTDATJTSA-N 2 1 415.582 0.952 20 0 HCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343491 1079233492 /nfs/dbraw/zinc/23/34/92/1079233492.db2.gz LFVGSMPBGBNLHX-LEWJYISDSA-N 2 1 415.582 0.514 20 0 HCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343492 1079233589 /nfs/dbraw/zinc/23/35/89/1079233589.db2.gz LFVGSMPBGBNLHX-NHCUHLMSSA-N 2 1 415.582 0.514 20 0 HCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343493 1079233303 /nfs/dbraw/zinc/23/33/03/1079233303.db2.gz LFVGSMPBGBNLHX-RTWAWAEBSA-N 2 1 415.582 0.514 20 0 HCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343494 1079233396 /nfs/dbraw/zinc/23/33/96/1079233396.db2.gz LFVGSMPBGBNLHX-SFTDATJTSA-N 2 1 415.582 0.514 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343495 1079233553 /nfs/dbraw/zinc/23/35/53/1079233553.db2.gz LUCZCGNAOQSJKL-PMACEKPBSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343495 1079233547 /nfs/dbraw/zinc/23/35/47/1079233547.db2.gz LUCZCGNAOQSJKL-PMACEKPBSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343496 1079233442 /nfs/dbraw/zinc/23/34/42/1079233442.db2.gz LUCZCGNAOQSJKL-UXHICEINSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343496 1079233436 /nfs/dbraw/zinc/23/34/36/1079233436.db2.gz LUCZCGNAOQSJKL-UXHICEINSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343497 1079233206 /nfs/dbraw/zinc/23/32/06/1079233206.db2.gz LUCZCGNAOQSJKL-VQTJNVASSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343497 1079233191 /nfs/dbraw/zinc/23/31/91/1079233191.db2.gz LUCZCGNAOQSJKL-VQTJNVASSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343498 1079234050 /nfs/dbraw/zinc/23/40/50/1079234050.db2.gz LUCZCGNAOQSJKL-WOJBJXKFSA-N 2 1 415.582 0.560 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C2)CC1 ZINC000671343498 1079234039 /nfs/dbraw/zinc/23/40/39/1079234039.db2.gz LUCZCGNAOQSJKL-WOJBJXKFSA-N 2 1 415.582 0.560 20 0 HCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370143 1079260805 /nfs/dbraw/zinc/26/08/05/1079260805.db2.gz CUHCCIVKOHOEAY-DXIQSLLYSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370144 1079260787 /nfs/dbraw/zinc/26/07/87/1079260787.db2.gz CUHCCIVKOHOEAY-KNKQGSTJSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370145 1079261048 /nfs/dbraw/zinc/26/10/48/1079261048.db2.gz CUHCCIVKOHOEAY-WOIUINJBSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370146 1079260887 /nfs/dbraw/zinc/26/08/87/1079260887.db2.gz CUHCCIVKOHOEAY-XQBPLPMBSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370255 1079261094 /nfs/dbraw/zinc/26/10/94/1079261094.db2.gz SXAOCIDSPZRFSL-FGSXEWAUSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370255 1079261087 /nfs/dbraw/zinc/26/10/87/1079261087.db2.gz SXAOCIDSPZRFSL-FGSXEWAUSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370256 1079260916 /nfs/dbraw/zinc/26/09/16/1079260916.db2.gz SXAOCIDSPZRFSL-HMFYCAOWSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370256 1079260906 /nfs/dbraw/zinc/26/09/06/1079260906.db2.gz SXAOCIDSPZRFSL-HMFYCAOWSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370257 1079260647 /nfs/dbraw/zinc/26/06/47/1079260647.db2.gz SXAOCIDSPZRFSL-JBYIUTFZSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370257 1079260643 /nfs/dbraw/zinc/26/06/43/1079260643.db2.gz SXAOCIDSPZRFSL-JBYIUTFZSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370258 1079260988 /nfs/dbraw/zinc/26/09/88/1079260988.db2.gz SXAOCIDSPZRFSL-KGVIQGDOSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)([NH+](C)C)C1 ZINC000671370258 1079260981 /nfs/dbraw/zinc/26/09/81/1079260981.db2.gz SXAOCIDSPZRFSL-KGVIQGDOSA-N 2 1 407.603 0.898 20 0 HCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000671374274 1079269142 /nfs/dbraw/zinc/26/91/42/1079269142.db2.gz OXUBENRSOQSCMX-FQEVSTJZSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000671374275 1079269716 /nfs/dbraw/zinc/26/97/16/1079269716.db2.gz OXUBENRSOQSCMX-HXUWFJFHSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000671374816 1079271023 /nfs/dbraw/zinc/27/10/23/1079271023.db2.gz BJPVXMNOYITEDM-UHFFFAOYSA-N 2 1 403.527 0.833 20 0 HCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000671376051 1079271214 /nfs/dbraw/zinc/27/12/14/1079271214.db2.gz XKXZFBIGTGJNFC-UHFFFAOYSA-N 2 1 407.603 0.852 20 0 HCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671376754 1079272579 /nfs/dbraw/zinc/27/25/79/1079272579.db2.gz ASNLDPXYGZPUJF-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671376754 1079272572 /nfs/dbraw/zinc/27/25/72/1079272572.db2.gz ASNLDPXYGZPUJF-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671376755 1079272503 /nfs/dbraw/zinc/27/25/03/1079272503.db2.gz ASNLDPXYGZPUJF-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671376755 1079272494 /nfs/dbraw/zinc/27/24/94/1079272494.db2.gz ASNLDPXYGZPUJF-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671383728 1079274849 /nfs/dbraw/zinc/27/48/49/1079274849.db2.gz FBKNJWWXFXNXQW-PMACEKPBSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000671383728 1079274834 /nfs/dbraw/zinc/27/48/34/1079274834.db2.gz FBKNJWWXFXNXQW-PMACEKPBSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383728 1079274824 /nfs/dbraw/zinc/27/48/24/1079274824.db2.gz FBKNJWWXFXNXQW-PMACEKPBSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671383729 1079274598 /nfs/dbraw/zinc/27/45/98/1079274598.db2.gz FBKNJWWXFXNXQW-UXHICEINSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000671383729 1079274592 /nfs/dbraw/zinc/27/45/92/1079274592.db2.gz FBKNJWWXFXNXQW-UXHICEINSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383729 1079274586 /nfs/dbraw/zinc/27/45/86/1079274586.db2.gz FBKNJWWXFXNXQW-UXHICEINSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671383731 1081285818 /nfs/dbraw/zinc/28/58/18/1081285818.db2.gz FBKNJWWXFXNXQW-VQTJNVASSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000671383731 1081285813 /nfs/dbraw/zinc/28/58/13/1081285813.db2.gz FBKNJWWXFXNXQW-VQTJNVASSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383731 1081285809 /nfs/dbraw/zinc/28/58/09/1081285809.db2.gz FBKNJWWXFXNXQW-VQTJNVASSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000671383733 1081286568 /nfs/dbraw/zinc/28/65/68/1081286568.db2.gz FBKNJWWXFXNXQW-WOJBJXKFSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000671383733 1081286561 /nfs/dbraw/zinc/28/65/61/1081286561.db2.gz FBKNJWWXFXNXQW-WOJBJXKFSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383733 1081286556 /nfs/dbraw/zinc/28/65/56/1081286556.db2.gz FBKNJWWXFXNXQW-WOJBJXKFSA-N 2 1 401.555 0.377 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671385393 1081309660 /nfs/dbraw/zinc/30/96/60/1081309660.db2.gz PAMWFMIGKJMLHB-FQEVSTJZSA-N 2 1 416.566 0.930 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671385393 1081309651 /nfs/dbraw/zinc/30/96/51/1081309651.db2.gz PAMWFMIGKJMLHB-FQEVSTJZSA-N 2 1 416.566 0.930 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671385395 1081312459 /nfs/dbraw/zinc/31/24/59/1081312459.db2.gz PAMWFMIGKJMLHB-HXUWFJFHSA-N 2 1 416.566 0.930 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671385395 1081312455 /nfs/dbraw/zinc/31/24/55/1081312455.db2.gz PAMWFMIGKJMLHB-HXUWFJFHSA-N 2 1 416.566 0.930 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671386898 1079276359 /nfs/dbraw/zinc/27/63/59/1079276359.db2.gz UPHYIUQWDIZADQ-DFQSSKMNSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671386898 1079276350 /nfs/dbraw/zinc/27/63/50/1079276350.db2.gz UPHYIUQWDIZADQ-DFQSSKMNSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671386898 1079276345 /nfs/dbraw/zinc/27/63/45/1079276345.db2.gz UPHYIUQWDIZADQ-DFQSSKMNSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671386898 1079276338 /nfs/dbraw/zinc/27/63/38/1079276338.db2.gz UPHYIUQWDIZADQ-DFQSSKMNSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671386899 1079276433 /nfs/dbraw/zinc/27/64/33/1079276433.db2.gz UPHYIUQWDIZADQ-IHPCNDPISA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671386899 1079276425 /nfs/dbraw/zinc/27/64/25/1079276425.db2.gz UPHYIUQWDIZADQ-IHPCNDPISA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671386899 1079276419 /nfs/dbraw/zinc/27/64/19/1079276419.db2.gz UPHYIUQWDIZADQ-IHPCNDPISA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671386899 1079276411 /nfs/dbraw/zinc/27/64/11/1079276411.db2.gz UPHYIUQWDIZADQ-IHPCNDPISA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671386900 1079276512 /nfs/dbraw/zinc/27/65/12/1079276512.db2.gz UPHYIUQWDIZADQ-SXLOBPIMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671386900 1079276504 /nfs/dbraw/zinc/27/65/04/1079276504.db2.gz UPHYIUQWDIZADQ-SXLOBPIMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671386900 1079276495 /nfs/dbraw/zinc/27/64/95/1079276495.db2.gz UPHYIUQWDIZADQ-SXLOBPIMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671386900 1079276488 /nfs/dbraw/zinc/27/64/88/1079276488.db2.gz UPHYIUQWDIZADQ-SXLOBPIMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671386901 1079276218 /nfs/dbraw/zinc/27/62/18/1079276218.db2.gz UPHYIUQWDIZADQ-YSIASYRMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671386901 1079276208 /nfs/dbraw/zinc/27/62/08/1079276208.db2.gz UPHYIUQWDIZADQ-YSIASYRMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671386901 1079276201 /nfs/dbraw/zinc/27/62/01/1079276201.db2.gz UPHYIUQWDIZADQ-YSIASYRMSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671386901 1079276188 /nfs/dbraw/zinc/27/61/88/1079276188.db2.gz UPHYIUQWDIZADQ-YSIASYRMSA-N 2 1 402.539 0.850 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671388135 1079276022 /nfs/dbraw/zinc/27/60/22/1079276022.db2.gz MPZCBRHBWZOOPQ-PMACEKPBSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671388135 1079276012 /nfs/dbraw/zinc/27/60/12/1079276012.db2.gz MPZCBRHBWZOOPQ-PMACEKPBSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388135 1079276004 /nfs/dbraw/zinc/27/60/04/1079276004.db2.gz MPZCBRHBWZOOPQ-PMACEKPBSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671388136 1079276251 /nfs/dbraw/zinc/27/62/51/1079276251.db2.gz MPZCBRHBWZOOPQ-UXHICEINSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671388136 1079276243 /nfs/dbraw/zinc/27/62/43/1079276243.db2.gz MPZCBRHBWZOOPQ-UXHICEINSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388136 1079276238 /nfs/dbraw/zinc/27/62/38/1079276238.db2.gz MPZCBRHBWZOOPQ-UXHICEINSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671388137 1081349256 /nfs/dbraw/zinc/34/92/56/1081349256.db2.gz MPZCBRHBWZOOPQ-VQTJNVASSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671388137 1081349251 /nfs/dbraw/zinc/34/92/51/1081349251.db2.gz MPZCBRHBWZOOPQ-VQTJNVASSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388137 1081349247 /nfs/dbraw/zinc/34/92/47/1081349247.db2.gz MPZCBRHBWZOOPQ-VQTJNVASSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671388138 1079276120 /nfs/dbraw/zinc/27/61/20/1079276120.db2.gz MPZCBRHBWZOOPQ-WOJBJXKFSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671388138 1079276111 /nfs/dbraw/zinc/27/61/11/1079276111.db2.gz MPZCBRHBWZOOPQ-WOJBJXKFSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388138 1079276103 /nfs/dbraw/zinc/27/61/03/1079276103.db2.gz MPZCBRHBWZOOPQ-WOJBJXKFSA-N 2 1 402.539 0.852 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000671390342 1079278891 /nfs/dbraw/zinc/27/88/91/1079278891.db2.gz AQKUVSRAUWHUKW-FQEVSTJZSA-N 2 1 401.555 0.473 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000671390342 1079278879 /nfs/dbraw/zinc/27/88/79/1079278879.db2.gz AQKUVSRAUWHUKW-FQEVSTJZSA-N 2 1 401.555 0.473 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000671390342 1079278863 /nfs/dbraw/zinc/27/88/63/1079278863.db2.gz AQKUVSRAUWHUKW-FQEVSTJZSA-N 2 1 401.555 0.473 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000671390343 1079278527 /nfs/dbraw/zinc/27/85/27/1079278527.db2.gz AQKUVSRAUWHUKW-HXUWFJFHSA-N 2 1 401.555 0.473 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000671390343 1079278523 /nfs/dbraw/zinc/27/85/23/1079278523.db2.gz AQKUVSRAUWHUKW-HXUWFJFHSA-N 2 1 401.555 0.473 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000671390343 1079278520 /nfs/dbraw/zinc/27/85/20/1079278520.db2.gz AQKUVSRAUWHUKW-HXUWFJFHSA-N 2 1 401.555 0.473 20 0 HCADMP CN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671390387 1079278938 /nfs/dbraw/zinc/27/89/38/1079278938.db2.gz PUHFZQCKUVVHKS-NRFANRHFSA-N 2 1 415.582 0.862 20 0 HCADMP CN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671390388 1081362676 /nfs/dbraw/zinc/36/26/76/1081362676.db2.gz PUHFZQCKUVVHKS-OAQYLSRUSA-N 2 1 415.582 0.862 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079278961 /nfs/dbraw/zinc/27/89/61/1079278961.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 2 1 401.555 0.519 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279038 /nfs/dbraw/zinc/27/90/38/1079279038.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 2 1 401.555 0.519 20 0 HCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000671396703 1079284310 /nfs/dbraw/zinc/28/43/10/1079284310.db2.gz HQDMRSFVYWIMKQ-NRFANRHFSA-N 2 1 415.582 0.993 20 0 HCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671396703 1079284305 /nfs/dbraw/zinc/28/43/05/1079284305.db2.gz HQDMRSFVYWIMKQ-NRFANRHFSA-N 2 1 415.582 0.993 20 0 HCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)c1 ZINC000671396703 1079284299 /nfs/dbraw/zinc/28/42/99/1079284299.db2.gz HQDMRSFVYWIMKQ-NRFANRHFSA-N 2 1 415.582 0.993 20 0 HCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000671396704 1079284401 /nfs/dbraw/zinc/28/44/01/1079284401.db2.gz HQDMRSFVYWIMKQ-OAQYLSRUSA-N 2 1 415.582 0.993 20 0 HCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671396704 1079284392 /nfs/dbraw/zinc/28/43/92/1079284392.db2.gz HQDMRSFVYWIMKQ-OAQYLSRUSA-N 2 1 415.582 0.993 20 0 HCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)c1 ZINC000671396704 1079284383 /nfs/dbraw/zinc/28/43/83/1079284383.db2.gz HQDMRSFVYWIMKQ-OAQYLSRUSA-N 2 1 415.582 0.993 20 0 HCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671404215 1079287288 /nfs/dbraw/zinc/28/72/88/1079287288.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671404215 1079287280 /nfs/dbraw/zinc/28/72/80/1079287280.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404215 1079287274 /nfs/dbraw/zinc/28/72/74/1079287274.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404215 1079287265 /nfs/dbraw/zinc/28/72/65/1079287265.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404215 1079287258 /nfs/dbraw/zinc/28/72/58/1079287258.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671404216 1079287137 /nfs/dbraw/zinc/28/71/37/1079287137.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671404216 1079287131 /nfs/dbraw/zinc/28/71/31/1079287131.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404216 1079287124 /nfs/dbraw/zinc/28/71/24/1079287124.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404216 1079287112 /nfs/dbraw/zinc/28/71/12/1079287112.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404216 1079287101 /nfs/dbraw/zinc/28/71/01/1079287101.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671404217 1079287540 /nfs/dbraw/zinc/28/75/40/1079287540.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671404217 1079287534 /nfs/dbraw/zinc/28/75/34/1079287534.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404217 1079287526 /nfs/dbraw/zinc/28/75/26/1079287526.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404217 1079287520 /nfs/dbraw/zinc/28/75/20/1079287520.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404217 1079287513 /nfs/dbraw/zinc/28/75/13/1079287513.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671404218 1079287432 /nfs/dbraw/zinc/28/74/32/1079287432.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671404218 1079287425 /nfs/dbraw/zinc/28/74/25/1079287425.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404218 1079287413 /nfs/dbraw/zinc/28/74/13/1079287413.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671404218 1079287403 /nfs/dbraw/zinc/28/74/03/1079287403.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404218 1079287395 /nfs/dbraw/zinc/28/73/95/1079287395.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671406401 1079289488 /nfs/dbraw/zinc/28/94/88/1079289488.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671406401 1079289485 /nfs/dbraw/zinc/28/94/85/1079289485.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406401 1079289474 /nfs/dbraw/zinc/28/94/74/1079289474.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406401 1079289465 /nfs/dbraw/zinc/28/94/65/1079289465.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406401 1079289456 /nfs/dbraw/zinc/28/94/56/1079289456.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671406403 1079289194 /nfs/dbraw/zinc/28/91/94/1079289194.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671406403 1079289190 /nfs/dbraw/zinc/28/91/90/1079289190.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406403 1079289187 /nfs/dbraw/zinc/28/91/87/1079289187.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406403 1079289182 /nfs/dbraw/zinc/28/91/82/1079289182.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406403 1079289178 /nfs/dbraw/zinc/28/91/78/1079289178.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671406404 1079289259 /nfs/dbraw/zinc/28/92/59/1079289259.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671406404 1079289254 /nfs/dbraw/zinc/28/92/54/1079289254.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406404 1079289248 /nfs/dbraw/zinc/28/92/48/1079289248.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406404 1079289242 /nfs/dbraw/zinc/28/92/42/1079289242.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406404 1079289235 /nfs/dbraw/zinc/28/92/35/1079289235.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671406410 1079289123 /nfs/dbraw/zinc/28/91/23/1079289123.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671406410 1079289116 /nfs/dbraw/zinc/28/91/16/1079289116.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406410 1079289113 /nfs/dbraw/zinc/28/91/13/1079289113.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000671406410 1079289106 /nfs/dbraw/zinc/28/91/06/1079289106.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406410 1079289102 /nfs/dbraw/zinc/28/91/02/1079289102.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 2 1 407.603 0.754 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671406542 1079290771 /nfs/dbraw/zinc/29/07/71/1079290771.db2.gz TWPPJDNOUBLNOM-IYWMVGAKSA-N 2 1 407.603 0.707 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671406542 1079290769 /nfs/dbraw/zinc/29/07/69/1079290769.db2.gz TWPPJDNOUBLNOM-IYWMVGAKSA-N 2 1 407.603 0.707 20 0 HCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671406542 1079290760 /nfs/dbraw/zinc/29/07/60/1079290760.db2.gz TWPPJDNOUBLNOM-IYWMVGAKSA-N 2 1 407.603 0.707 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671406543 1079290860 /nfs/dbraw/zinc/29/08/60/1079290860.db2.gz TWPPJDNOUBLNOM-WCIQWLHISA-N 2 1 407.603 0.707 20 0 HCADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671406543 1079290854 /nfs/dbraw/zinc/29/08/54/1079290854.db2.gz TWPPJDNOUBLNOM-WCIQWLHISA-N 2 1 407.603 0.707 20 0 HCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671406543 1079290844 /nfs/dbraw/zinc/29/08/44/1079290844.db2.gz TWPPJDNOUBLNOM-WCIQWLHISA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671406544 1079290896 /nfs/dbraw/zinc/29/08/96/1079290896.db2.gz TWPPJDNOUBLNOM-YRPNKDGESA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671406544 1079290890 /nfs/dbraw/zinc/29/08/90/1079290890.db2.gz TWPPJDNOUBLNOM-YRPNKDGESA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671406544 1079290881 /nfs/dbraw/zinc/29/08/81/1079290881.db2.gz TWPPJDNOUBLNOM-YRPNKDGESA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671406545 1079290733 /nfs/dbraw/zinc/29/07/33/1079290733.db2.gz TWPPJDNOUBLNOM-ZGXWSNOMSA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671406545 1079290728 /nfs/dbraw/zinc/29/07/28/1079290728.db2.gz TWPPJDNOUBLNOM-ZGXWSNOMSA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671406545 1079290722 /nfs/dbraw/zinc/29/07/22/1079290722.db2.gz TWPPJDNOUBLNOM-ZGXWSNOMSA-N 2 1 407.603 0.707 20 0 HCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671406954 1079290099 /nfs/dbraw/zinc/29/00/99/1079290099.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671406954 1079290094 /nfs/dbraw/zinc/29/00/94/1079290094.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406954 1079290085 /nfs/dbraw/zinc/29/00/85/1079290085.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406954 1079290077 /nfs/dbraw/zinc/29/00/77/1079290077.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406954 1079290070 /nfs/dbraw/zinc/29/00/70/1079290070.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671406955 1079290291 /nfs/dbraw/zinc/29/02/91/1079290291.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671406955 1079290281 /nfs/dbraw/zinc/29/02/81/1079290281.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406955 1079290276 /nfs/dbraw/zinc/29/02/76/1079290276.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406955 1079290271 /nfs/dbraw/zinc/29/02/71/1079290271.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406955 1079290264 /nfs/dbraw/zinc/29/02/64/1079290264.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671406956 1079290207 /nfs/dbraw/zinc/29/02/07/1079290207.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671406956 1079290201 /nfs/dbraw/zinc/29/02/01/1079290201.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406956 1079290191 /nfs/dbraw/zinc/29/01/91/1079290191.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406956 1079290185 /nfs/dbraw/zinc/29/01/85/1079290185.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406956 1079290178 /nfs/dbraw/zinc/29/01/78/1079290178.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671406957 1079289954 /nfs/dbraw/zinc/28/99/54/1079289954.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671406957 1079289951 /nfs/dbraw/zinc/28/99/51/1079289951.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406957 1079289949 /nfs/dbraw/zinc/28/99/49/1079289949.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671406957 1079289945 /nfs/dbraw/zinc/28/99/45/1079289945.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406957 1079289936 /nfs/dbraw/zinc/28/99/36/1079289936.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 2 1 407.603 0.898 20 0 HCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000671407003 1079289586 /nfs/dbraw/zinc/28/95/86/1079289586.db2.gz VBGNROHPWUDSEL-MOPGFXCFSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000671407003 1079289575 /nfs/dbraw/zinc/28/95/75/1079289575.db2.gz VBGNROHPWUDSEL-MOPGFXCFSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671407003 1079289566 /nfs/dbraw/zinc/28/95/66/1079289566.db2.gz VBGNROHPWUDSEL-MOPGFXCFSA-N 2 1 407.603 0.852 20 0 HCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000671407004 1079289408 /nfs/dbraw/zinc/28/94/08/1079289408.db2.gz VBGNROHPWUDSEL-OALUTQOASA-N 2 1 407.603 0.852 20 0 HCADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000671407004 1079289404 /nfs/dbraw/zinc/28/94/04/1079289404.db2.gz VBGNROHPWUDSEL-OALUTQOASA-N 2 1 407.603 0.852 20 0 HCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671407004 1079289398 /nfs/dbraw/zinc/28/93/98/1079289398.db2.gz VBGNROHPWUDSEL-OALUTQOASA-N 2 1 407.603 0.852 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000671802424 1080027379 /nfs/dbraw/zinc/02/73/79/1080027379.db2.gz ZZGISXCKPPHBIA-FQEVSTJZSA-N 2 1 401.555 0.377 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000671802435 1080027556 /nfs/dbraw/zinc/02/75/56/1080027556.db2.gz ZZGISXCKPPHBIA-HXUWFJFHSA-N 2 1 401.555 0.377 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671802497 1080027470 /nfs/dbraw/zinc/02/74/70/1080027470.db2.gz AUSGWYIHQKOOBU-FQEVSTJZSA-N 2 1 402.539 0.852 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671802498 1080027424 /nfs/dbraw/zinc/02/74/24/1080027424.db2.gz AUSGWYIHQKOOBU-HXUWFJFHSA-N 2 1 402.539 0.852 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671803712 1080028418 /nfs/dbraw/zinc/02/84/18/1080028418.db2.gz VMYONAFWHWYAPT-FXAWDEMLSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671803712 1080028409 /nfs/dbraw/zinc/02/84/09/1080028409.db2.gz VMYONAFWHWYAPT-FXAWDEMLSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671803716 1080028376 /nfs/dbraw/zinc/02/83/76/1080028376.db2.gz VMYONAFWHWYAPT-PXNSSMCTSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671803716 1080028367 /nfs/dbraw/zinc/02/83/67/1080028367.db2.gz VMYONAFWHWYAPT-PXNSSMCTSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671803717 1080028542 /nfs/dbraw/zinc/02/85/42/1080028542.db2.gz VMYONAFWHWYAPT-XLIONFOSSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671803717 1080028530 /nfs/dbraw/zinc/02/85/30/1080028530.db2.gz VMYONAFWHWYAPT-XLIONFOSSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671803719 1080028767 /nfs/dbraw/zinc/02/87/67/1080028767.db2.gz VMYONAFWHWYAPT-YLJYHZDGSA-N 2 1 402.539 0.850 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671803719 1080028756 /nfs/dbraw/zinc/02/87/56/1080028756.db2.gz VMYONAFWHWYAPT-YLJYHZDGSA-N 2 1 402.539 0.850 20 0 HCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000671804051 1080029590 /nfs/dbraw/zinc/02/95/90/1080029590.db2.gz OUJNXJCYZBULHH-UHFFFAOYSA-N 2 1 416.566 0.930 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671823449 1080044208 /nfs/dbraw/zinc/04/42/08/1080044208.db2.gz YWOFQSICEHOGPQ-BQFCYCMXSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671823449 1080044197 /nfs/dbraw/zinc/04/41/97/1080044197.db2.gz YWOFQSICEHOGPQ-BQFCYCMXSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671823449 1080044191 /nfs/dbraw/zinc/04/41/91/1080044191.db2.gz YWOFQSICEHOGPQ-BQFCYCMXSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671823449 1080044181 /nfs/dbraw/zinc/04/41/81/1080044181.db2.gz YWOFQSICEHOGPQ-BQFCYCMXSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671823450 1080044265 /nfs/dbraw/zinc/04/42/65/1080044265.db2.gz YWOFQSICEHOGPQ-JZXOWHBKSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671823450 1080044254 /nfs/dbraw/zinc/04/42/54/1080044254.db2.gz YWOFQSICEHOGPQ-JZXOWHBKSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671823450 1080044245 /nfs/dbraw/zinc/04/42/45/1080044245.db2.gz YWOFQSICEHOGPQ-JZXOWHBKSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671823450 1080044236 /nfs/dbraw/zinc/04/42/36/1080044236.db2.gz YWOFQSICEHOGPQ-JZXOWHBKSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671823451 1080043961 /nfs/dbraw/zinc/04/39/61/1080043961.db2.gz YWOFQSICEHOGPQ-LZLYRXPVSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671823451 1080043947 /nfs/dbraw/zinc/04/39/47/1080043947.db2.gz YWOFQSICEHOGPQ-LZLYRXPVSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671823451 1080043935 /nfs/dbraw/zinc/04/39/35/1080043935.db2.gz YWOFQSICEHOGPQ-LZLYRXPVSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671823451 1080043922 /nfs/dbraw/zinc/04/39/22/1080043922.db2.gz YWOFQSICEHOGPQ-LZLYRXPVSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671823452 1080044114 /nfs/dbraw/zinc/04/41/14/1080044114.db2.gz YWOFQSICEHOGPQ-XYJFISCASA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671823452 1080044105 /nfs/dbraw/zinc/04/41/05/1080044105.db2.gz YWOFQSICEHOGPQ-XYJFISCASA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671823452 1080044098 /nfs/dbraw/zinc/04/40/98/1080044098.db2.gz YWOFQSICEHOGPQ-XYJFISCASA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671823452 1080044085 /nfs/dbraw/zinc/04/40/85/1080044085.db2.gz YWOFQSICEHOGPQ-XYJFISCASA-N 2 1 408.568 0.912 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671823854 1080045517 /nfs/dbraw/zinc/04/55/17/1080045517.db2.gz HHQPXFVSWJNGTJ-CRAIPNDOSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671823854 1080045508 /nfs/dbraw/zinc/04/55/08/1080045508.db2.gz HHQPXFVSWJNGTJ-CRAIPNDOSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671823855 1080045258 /nfs/dbraw/zinc/04/52/58/1080045258.db2.gz HHQPXFVSWJNGTJ-MAUKXSAKSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671823855 1080045246 /nfs/dbraw/zinc/04/52/46/1080045246.db2.gz HHQPXFVSWJNGTJ-MAUKXSAKSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671823856 1080045117 /nfs/dbraw/zinc/04/51/17/1080045117.db2.gz HHQPXFVSWJNGTJ-QAPCUYQASA-N 2 1 408.568 0.912 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671823856 1080045108 /nfs/dbraw/zinc/04/51/08/1080045108.db2.gz HHQPXFVSWJNGTJ-QAPCUYQASA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671823857 1080045443 /nfs/dbraw/zinc/04/54/43/1080045443.db2.gz HHQPXFVSWJNGTJ-YJBOKZPZSA-N 2 1 408.568 0.912 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671823857 1080045435 /nfs/dbraw/zinc/04/54/35/1080045435.db2.gz HHQPXFVSWJNGTJ-YJBOKZPZSA-N 2 1 408.568 0.912 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000671849129 1080063526 /nfs/dbraw/zinc/06/35/26/1080063526.db2.gz RQEADHULCRULEA-UHFFFAOYSA-N 2 1 407.603 0.852 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671869167 1080080884 /nfs/dbraw/zinc/08/08/84/1080080884.db2.gz VDLQQOKLJNKRAV-GOSISDBHSA-N 2 1 400.527 0.050 20 0 HCADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671869168 1080081567 /nfs/dbraw/zinc/08/15/67/1080081567.db2.gz VDLQQOKLJNKRAV-SFHVURJKSA-N 2 1 400.527 0.050 20 0 HCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000671869671 1080097229 /nfs/dbraw/zinc/09/72/29/1080097229.db2.gz RXRKEYYOTWFIST-UHFFFAOYSA-N 2 1 402.543 0.392 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872683 1080088312 /nfs/dbraw/zinc/08/83/12/1080088312.db2.gz PGDSJWXCXQSZBK-AZUAARDMSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872683 1080088308 /nfs/dbraw/zinc/08/83/08/1080088308.db2.gz PGDSJWXCXQSZBK-AZUAARDMSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872684 1080088273 /nfs/dbraw/zinc/08/82/73/1080088273.db2.gz PGDSJWXCXQSZBK-ICSRJNTNSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872684 1080088265 /nfs/dbraw/zinc/08/82/65/1080088265.db2.gz PGDSJWXCXQSZBK-ICSRJNTNSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872685 1080088114 /nfs/dbraw/zinc/08/81/14/1080088114.db2.gz PGDSJWXCXQSZBK-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872685 1080088107 /nfs/dbraw/zinc/08/81/07/1080088107.db2.gz PGDSJWXCXQSZBK-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872686 1080088029 /nfs/dbraw/zinc/08/80/29/1080088029.db2.gz PGDSJWXCXQSZBK-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872686 1080088015 /nfs/dbraw/zinc/08/80/15/1080088015.db2.gz PGDSJWXCXQSZBK-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671880774 1080103336 /nfs/dbraw/zinc/10/33/36/1080103336.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671880774 1080103324 /nfs/dbraw/zinc/10/33/24/1080103324.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880774 1080103313 /nfs/dbraw/zinc/10/33/13/1080103313.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880774 1080103291 /nfs/dbraw/zinc/10/32/91/1080103291.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880774 1080103266 /nfs/dbraw/zinc/10/32/66/1080103266.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 3 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671880775 1080102850 /nfs/dbraw/zinc/10/28/50/1080102850.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671880775 1080102824 /nfs/dbraw/zinc/10/28/24/1080102824.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880775 1080102809 /nfs/dbraw/zinc/10/28/09/1080102809.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880775 1080102791 /nfs/dbraw/zinc/10/27/91/1080102791.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880775 1080102780 /nfs/dbraw/zinc/10/27/80/1080102780.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 3 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671880776 1080104156 /nfs/dbraw/zinc/10/41/56/1080104156.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671880776 1080104153 /nfs/dbraw/zinc/10/41/53/1080104153.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880776 1080104145 /nfs/dbraw/zinc/10/41/45/1080104145.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880776 1080104136 /nfs/dbraw/zinc/10/41/36/1080104136.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880776 1080104132 /nfs/dbraw/zinc/10/41/32/1080104132.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000671880777 1080104502 /nfs/dbraw/zinc/10/45/02/1080104502.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000671880777 1080104495 /nfs/dbraw/zinc/10/44/95/1080104495.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880777 1080104473 /nfs/dbraw/zinc/10/44/73/1080104473.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000671880777 1080104446 /nfs/dbraw/zinc/10/44/46/1080104446.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880777 1080104411 /nfs/dbraw/zinc/10/44/11/1080104411.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 2 1 407.603 0.850 20 0 HCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671893666 1080108468 /nfs/dbraw/zinc/10/84/68/1080108468.db2.gz CPMZWLSHMZGGHD-PMACEKPBSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671893666 1080108450 /nfs/dbraw/zinc/10/84/50/1080108450.db2.gz CPMZWLSHMZGGHD-PMACEKPBSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671893666 1080108426 /nfs/dbraw/zinc/10/84/26/1080108426.db2.gz CPMZWLSHMZGGHD-PMACEKPBSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671893667 1080108829 /nfs/dbraw/zinc/10/88/29/1080108829.db2.gz CPMZWLSHMZGGHD-UXHICEINSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671893667 1080108803 /nfs/dbraw/zinc/10/88/03/1080108803.db2.gz CPMZWLSHMZGGHD-UXHICEINSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671893667 1080108788 /nfs/dbraw/zinc/10/87/88/1080108788.db2.gz CPMZWLSHMZGGHD-UXHICEINSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671893668 1080108607 /nfs/dbraw/zinc/10/86/07/1080108607.db2.gz CPMZWLSHMZGGHD-VQTJNVASSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671893668 1080108586 /nfs/dbraw/zinc/10/85/86/1080108586.db2.gz CPMZWLSHMZGGHD-VQTJNVASSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671893668 1080108560 /nfs/dbraw/zinc/10/85/60/1080108560.db2.gz CPMZWLSHMZGGHD-VQTJNVASSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671893669 1080110182 /nfs/dbraw/zinc/11/01/82/1080110182.db2.gz CPMZWLSHMZGGHD-WOJBJXKFSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671893669 1080110170 /nfs/dbraw/zinc/11/01/70/1080110170.db2.gz CPMZWLSHMZGGHD-WOJBJXKFSA-N 2 1 407.603 0.996 20 0 HCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671893669 1080110159 /nfs/dbraw/zinc/11/01/59/1080110159.db2.gz CPMZWLSHMZGGHD-WOJBJXKFSA-N 2 1 407.603 0.996 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671904499 1080129863 /nfs/dbraw/zinc/12/98/63/1080129863.db2.gz YTBWDAZFFHRLAY-DFQSSKMNSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671904499 1080129839 /nfs/dbraw/zinc/12/98/39/1080129839.db2.gz YTBWDAZFFHRLAY-DFQSSKMNSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671904499 1080129814 /nfs/dbraw/zinc/12/98/14/1080129814.db2.gz YTBWDAZFFHRLAY-DFQSSKMNSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671904499 1080129790 /nfs/dbraw/zinc/12/97/90/1080129790.db2.gz YTBWDAZFFHRLAY-DFQSSKMNSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671904500 1080130013 /nfs/dbraw/zinc/13/00/13/1080130013.db2.gz YTBWDAZFFHRLAY-IHPCNDPISA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671904500 1080129998 /nfs/dbraw/zinc/12/99/98/1080129998.db2.gz YTBWDAZFFHRLAY-IHPCNDPISA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671904500 1080129978 /nfs/dbraw/zinc/12/99/78/1080129978.db2.gz YTBWDAZFFHRLAY-IHPCNDPISA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671904500 1080129951 /nfs/dbraw/zinc/12/99/51/1080129951.db2.gz YTBWDAZFFHRLAY-IHPCNDPISA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671904501 1080129082 /nfs/dbraw/zinc/12/90/82/1080129082.db2.gz YTBWDAZFFHRLAY-SXLOBPIMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671904501 1080129055 /nfs/dbraw/zinc/12/90/55/1080129055.db2.gz YTBWDAZFFHRLAY-SXLOBPIMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671904501 1080129032 /nfs/dbraw/zinc/12/90/32/1080129032.db2.gz YTBWDAZFFHRLAY-SXLOBPIMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671904501 1080129012 /nfs/dbraw/zinc/12/90/12/1080129012.db2.gz YTBWDAZFFHRLAY-SXLOBPIMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671904502 1080129483 /nfs/dbraw/zinc/12/94/83/1080129483.db2.gz YTBWDAZFFHRLAY-YSIASYRMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671904502 1080129460 /nfs/dbraw/zinc/12/94/60/1080129460.db2.gz YTBWDAZFFHRLAY-YSIASYRMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671904502 1080129430 /nfs/dbraw/zinc/12/94/30/1080129430.db2.gz YTBWDAZFFHRLAY-YSIASYRMSA-N 2 1 402.539 0.503 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000671904502 1080129402 /nfs/dbraw/zinc/12/94/02/1080129402.db2.gz YTBWDAZFFHRLAY-YSIASYRMSA-N 2 1 402.539 0.503 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000671912552 1080126959 /nfs/dbraw/zinc/12/69/59/1080126959.db2.gz AEPZTOOUJHJGDK-IBGZPJMESA-N 2 1 415.538 0.195 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000671912553 1080126672 /nfs/dbraw/zinc/12/66/72/1080126672.db2.gz AEPZTOOUJHJGDK-LJQANCHMSA-N 2 1 415.538 0.195 20 0 HCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671941178 1080160034 /nfs/dbraw/zinc/16/00/34/1080160034.db2.gz DDEYWSOMMKURNV-FQEVSTJZSA-N 2 1 407.603 0.994 20 0 HCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671941178 1080160020 /nfs/dbraw/zinc/16/00/20/1080160020.db2.gz DDEYWSOMMKURNV-FQEVSTJZSA-N 2 1 407.603 0.994 20 0 HCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000671941179 1080159667 /nfs/dbraw/zinc/15/96/67/1080159667.db2.gz DDEYWSOMMKURNV-HXUWFJFHSA-N 2 1 407.603 0.994 20 0 HCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000671941179 1080159656 /nfs/dbraw/zinc/15/96/56/1080159656.db2.gz DDEYWSOMMKURNV-HXUWFJFHSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954516 1080159943 /nfs/dbraw/zinc/15/99/43/1080159943.db2.gz BHSPDWVPEOVEHR-DOTOQJQBSA-N 2 1 405.518 0.965 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954517 1080160222 /nfs/dbraw/zinc/16/02/22/1080160222.db2.gz BHSPDWVPEOVEHR-NVXWUHKLSA-N 2 1 405.518 0.965 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954518 1080159501 /nfs/dbraw/zinc/15/95/01/1080159501.db2.gz BHSPDWVPEOVEHR-RDJZCZTQSA-N 2 1 405.518 0.965 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954519 1080160103 /nfs/dbraw/zinc/16/01/03/1080160103.db2.gz BHSPDWVPEOVEHR-WBVHZDCISA-N 2 1 405.518 0.965 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960449 1080167114 /nfs/dbraw/zinc/16/71/14/1080167114.db2.gz RIJXQJKDRQVVEG-AZUAARDMSA-N 2 1 402.539 0.804 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960449 1080167097 /nfs/dbraw/zinc/16/70/97/1080167097.db2.gz RIJXQJKDRQVVEG-AZUAARDMSA-N 2 1 402.539 0.804 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960450 1080167244 /nfs/dbraw/zinc/16/72/44/1080167244.db2.gz RIJXQJKDRQVVEG-ICSRJNTNSA-N 2 1 402.539 0.804 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960450 1080167222 /nfs/dbraw/zinc/16/72/22/1080167222.db2.gz RIJXQJKDRQVVEG-ICSRJNTNSA-N 2 1 402.539 0.804 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960451 1080167571 /nfs/dbraw/zinc/16/75/71/1080167571.db2.gz RIJXQJKDRQVVEG-QUCCMNQESA-N 2 1 402.539 0.804 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960451 1080167553 /nfs/dbraw/zinc/16/75/53/1080167553.db2.gz RIJXQJKDRQVVEG-QUCCMNQESA-N 2 1 402.539 0.804 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960452 1080167711 /nfs/dbraw/zinc/16/77/11/1080167711.db2.gz RIJXQJKDRQVVEG-UYAOXDASSA-N 2 1 402.539 0.804 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000671960452 1080167696 /nfs/dbraw/zinc/16/76/96/1080167696.db2.gz RIJXQJKDRQVVEG-UYAOXDASSA-N 2 1 402.539 0.804 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCCCC1 ZINC000671981333 1080196260 /nfs/dbraw/zinc/19/62/60/1080196260.db2.gz SFUGVAAXICBIEA-KRWDZBQOSA-N 2 1 409.575 0.461 20 0 HCADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCCCC1 ZINC000671981335 1080196338 /nfs/dbraw/zinc/19/63/38/1080196338.db2.gz SFUGVAAXICBIEA-QGZVFWFLSA-N 2 1 409.575 0.461 20 0 HCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001721 1080222215 /nfs/dbraw/zinc/22/22/15/1080222215.db2.gz DXHAZOVGHLCVPD-IBGZPJMESA-N 2 1 416.570 0.699 20 0 HCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001722 1080222281 /nfs/dbraw/zinc/22/22/81/1080222281.db2.gz DXHAZOVGHLCVPD-LJQANCHMSA-N 2 1 416.570 0.699 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672001745 1080222182 /nfs/dbraw/zinc/22/21/82/1080222182.db2.gz AOEXMGSCAKRPRV-IBGZPJMESA-N 2 1 414.554 0.310 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672001745 1080222171 /nfs/dbraw/zinc/22/21/71/1080222171.db2.gz AOEXMGSCAKRPRV-IBGZPJMESA-N 2 1 414.554 0.310 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672001745 1080222157 /nfs/dbraw/zinc/22/21/57/1080222157.db2.gz AOEXMGSCAKRPRV-IBGZPJMESA-N 3 1 414.554 0.310 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672001748 1080222133 /nfs/dbraw/zinc/22/21/33/1080222133.db2.gz AOEXMGSCAKRPRV-LJQANCHMSA-N 2 1 414.554 0.310 20 0 HCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672001748 1080222125 /nfs/dbraw/zinc/22/21/25/1080222125.db2.gz AOEXMGSCAKRPRV-LJQANCHMSA-N 2 1 414.554 0.310 20 0 HCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672001748 1080222109 /nfs/dbraw/zinc/22/21/09/1080222109.db2.gz AOEXMGSCAKRPRV-LJQANCHMSA-N 3 1 414.554 0.310 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000672001792 1080218321 /nfs/dbraw/zinc/21/83/21/1080218321.db2.gz NUGSREJXXJSYGN-IBGZPJMESA-N 2 1 416.570 0.701 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000672001793 1080218553 /nfs/dbraw/zinc/21/85/53/1080218553.db2.gz NUGSREJXXJSYGN-LJQANCHMSA-N 2 1 416.570 0.701 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000672001912 1080219171 /nfs/dbraw/zinc/21/91/71/1080219171.db2.gz ZKHIJHLALKNLMB-GOSISDBHSA-N 2 1 416.570 0.556 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000672001914 1080218927 /nfs/dbraw/zinc/21/89/27/1080218927.db2.gz ZKHIJHLALKNLMB-SFHVURJKSA-N 2 1 416.570 0.556 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000672003378 1080229177 /nfs/dbraw/zinc/22/91/77/1080229177.db2.gz KYEWTBCGNYIFKR-GOSISDBHSA-N 2 1 418.586 0.802 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000672003379 1080229025 /nfs/dbraw/zinc/22/90/25/1080229025.db2.gz KYEWTBCGNYIFKR-SFHVURJKSA-N 2 1 418.586 0.802 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672008767 1080231127 /nfs/dbraw/zinc/23/11/27/1080231127.db2.gz VVNYFFMFFUPYAI-AEFFLSMTSA-N 2 1 421.611 0.999 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672008768 1080231060 /nfs/dbraw/zinc/23/10/60/1080231060.db2.gz VVNYFFMFFUPYAI-FUHWJXTLSA-N 2 1 421.611 0.999 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672008769 1080231163 /nfs/dbraw/zinc/23/11/63/1080231163.db2.gz VVNYFFMFFUPYAI-SJLPKXTDSA-N 2 1 421.611 0.999 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672008770 1080231201 /nfs/dbraw/zinc/23/12/01/1080231201.db2.gz VVNYFFMFFUPYAI-WMZOPIPTSA-N 2 1 421.611 0.999 20 0 HCADMP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC[NH+](C)CC1 ZINC000672008997 1080232027 /nfs/dbraw/zinc/23/20/27/1080232027.db2.gz NFXDKAUSDWPFTO-BLMTVLTRSA-N 2 1 405.587 0.602 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC[NH+](C)CC1 ZINC000672008998 1080232304 /nfs/dbraw/zinc/23/23/04/1080232304.db2.gz NFXDKAUSDWPFTO-DAABDDCCSA-N 2 1 405.587 0.602 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672009201 1080232266 /nfs/dbraw/zinc/23/22/66/1080232266.db2.gz ZKFMJVWZZXUIPC-KRWDZBQOSA-N 2 1 421.586 0.236 20 0 HCADMP C[C@@H](NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672009202 1080232187 /nfs/dbraw/zinc/23/21/87/1080232187.db2.gz ZKFMJVWZZXUIPC-QGZVFWFLSA-N 2 1 421.586 0.236 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)CC1 ZINC000672009775 1080231523 /nfs/dbraw/zinc/23/15/23/1080231523.db2.gz RVNPDLNHLDKMGK-GOSISDBHSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)CC1 ZINC000672009780 1080231684 /nfs/dbraw/zinc/23/16/84/1080231684.db2.gz RVNPDLNHLDKMGK-SFHVURJKSA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000672009889 1080231086 /nfs/dbraw/zinc/23/10/86/1080231086.db2.gz SJHBQRSTBDDSCK-HNNXBMFYSA-N 2 1 422.492 0.946 20 0 HCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000672009906 1080231104 /nfs/dbraw/zinc/23/11/04/1080231104.db2.gz SJHBQRSTBDDSCK-OAHLLOKOSA-N 2 1 422.492 0.946 20 0 HCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011092 1080234687 /nfs/dbraw/zinc/23/46/87/1080234687.db2.gz FVYYDYLQQGNKIU-AZUAARDMSA-N 2 1 423.602 0.086 20 0 HCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011093 1080234813 /nfs/dbraw/zinc/23/48/13/1080234813.db2.gz FVYYDYLQQGNKIU-ICSRJNTNSA-N 2 1 423.602 0.086 20 0 HCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011094 1080234861 /nfs/dbraw/zinc/23/48/61/1080234861.db2.gz FVYYDYLQQGNKIU-QUCCMNQESA-N 2 1 423.602 0.086 20 0 HCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011095 1080234654 /nfs/dbraw/zinc/23/46/54/1080234654.db2.gz FVYYDYLQQGNKIU-UYAOXDASSA-N 2 1 423.602 0.086 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672011503 1080234249 /nfs/dbraw/zinc/23/42/49/1080234249.db2.gz JQNOVSTZLRNJDN-GOSISDBHSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672011504 1080234267 /nfs/dbraw/zinc/23/42/67/1080234267.db2.gz JQNOVSTZLRNJDN-SFHVURJKSA-N 2 1 407.603 0.899 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014436 1080238230 /nfs/dbraw/zinc/23/82/30/1080238230.db2.gz MQOAYXVZVGGJBG-JXFKEZNVSA-N 2 1 402.539 0.716 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014437 1080238084 /nfs/dbraw/zinc/23/80/84/1080238084.db2.gz MQOAYXVZVGGJBG-OXJNMPFZSA-N 2 1 402.539 0.716 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014438 1080238312 /nfs/dbraw/zinc/23/83/12/1080238312.db2.gz MQOAYXVZVGGJBG-OXQOHEQNSA-N 2 1 402.539 0.716 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014439 1080238172 /nfs/dbraw/zinc/23/81/72/1080238172.db2.gz MQOAYXVZVGGJBG-UZLBHIALSA-N 2 1 402.539 0.716 20 0 HCADMP C[C@@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC[NH+](C)CC1 ZINC000672015163 1080238960 /nfs/dbraw/zinc/23/89/60/1080238960.db2.gz RPUKESQRKBDRDO-CEXWTWQISA-N 2 1 407.603 0.850 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC[NH+](C)CC1 ZINC000672015165 1080239065 /nfs/dbraw/zinc/23/90/65/1080239065.db2.gz RPUKESQRKBDRDO-OTWHNJEPSA-N 2 1 407.603 0.850 20 0 HCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000672098404 1080377827 /nfs/dbraw/zinc/37/78/27/1080377827.db2.gz VGOCFBHLTBSJKN-GOSISDBHSA-N 2 1 423.602 0.626 20 0 HCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000672098404 1080377811 /nfs/dbraw/zinc/37/78/11/1080377811.db2.gz VGOCFBHLTBSJKN-GOSISDBHSA-N 2 1 423.602 0.626 20 0 HCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000672098405 1080378070 /nfs/dbraw/zinc/37/80/70/1080378070.db2.gz VGOCFBHLTBSJKN-SFHVURJKSA-N 2 1 423.602 0.626 20 0 HCADMP 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COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672164648 1080473864 /nfs/dbraw/zinc/47/38/64/1080473864.db2.gz RDBURTCWUOOPPI-HXUWFJFHSA-N 2 1 423.602 0.230 20 0 HCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672164664 1080473767 /nfs/dbraw/zinc/47/37/67/1080473767.db2.gz YNOHTIBRWGCODT-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672164664 1080473764 /nfs/dbraw/zinc/47/37/64/1080473764.db2.gz YNOHTIBRWGCODT-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672164664 1080473758 /nfs/dbraw/zinc/47/37/58/1080473758.db2.gz YNOHTIBRWGCODT-PMACEKPBSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672164665 1080473570 /nfs/dbraw/zinc/47/35/70/1080473570.db2.gz YNOHTIBRWGCODT-UXHICEINSA-N 2 1 402.539 0.946 20 0 HCADMP 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COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672164667 1080473945 /nfs/dbraw/zinc/47/39/45/1080473945.db2.gz YNOHTIBRWGCODT-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672164667 1080473937 /nfs/dbraw/zinc/47/39/37/1080473937.db2.gz YNOHTIBRWGCODT-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672164667 1080473932 /nfs/dbraw/zinc/47/39/32/1080473932.db2.gz YNOHTIBRWGCODT-WOJBJXKFSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672165200 1080476344 /nfs/dbraw/zinc/47/63/44/1080476344.db2.gz LHOJSXHGNGGQJN-PMACEKPBSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672165200 1080476338 /nfs/dbraw/zinc/47/63/38/1080476338.db2.gz LHOJSXHGNGGQJN-PMACEKPBSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672165200 1080476334 /nfs/dbraw/zinc/47/63/34/1080476334.db2.gz LHOJSXHGNGGQJN-PMACEKPBSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672165201 1080476256 /nfs/dbraw/zinc/47/62/56/1080476256.db2.gz LHOJSXHGNGGQJN-UXHICEINSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672165201 1080476255 /nfs/dbraw/zinc/47/62/55/1080476255.db2.gz LHOJSXHGNGGQJN-UXHICEINSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672165201 1080476254 /nfs/dbraw/zinc/47/62/54/1080476254.db2.gz LHOJSXHGNGGQJN-UXHICEINSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672165202 1080476298 /nfs/dbraw/zinc/47/62/98/1080476298.db2.gz LHOJSXHGNGGQJN-VQTJNVASSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672165202 1080476288 /nfs/dbraw/zinc/47/62/88/1080476288.db2.gz LHOJSXHGNGGQJN-VQTJNVASSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672165202 1080476283 /nfs/dbraw/zinc/47/62/83/1080476283.db2.gz LHOJSXHGNGGQJN-VQTJNVASSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672165203 1080476488 /nfs/dbraw/zinc/47/64/88/1080476488.db2.gz LHOJSXHGNGGQJN-WOJBJXKFSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672165203 1080476484 /nfs/dbraw/zinc/47/64/84/1080476484.db2.gz LHOJSXHGNGGQJN-WOJBJXKFSA-N 2 1 418.538 0.096 20 0 HCADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672165203 1080476471 /nfs/dbraw/zinc/47/64/71/1080476471.db2.gz LHOJSXHGNGGQJN-WOJBJXKFSA-N 2 1 418.538 0.096 20 0 HCADMP 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CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672203964 1080501579 /nfs/dbraw/zinc/50/15/79/1080501579.db2.gz RDCRSPRRJDFOQM-FQEVSTJZSA-N 2 1 407.603 0.994 20 0 HCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672203964 1080501560 /nfs/dbraw/zinc/50/15/60/1080501560.db2.gz RDCRSPRRJDFOQM-FQEVSTJZSA-N 2 1 407.603 0.994 20 0 HCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672203964 1080501545 /nfs/dbraw/zinc/50/15/45/1080501545.db2.gz RDCRSPRRJDFOQM-FQEVSTJZSA-N 2 1 407.603 0.994 20 0 HCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672203965 1080501184 /nfs/dbraw/zinc/50/11/84/1080501184.db2.gz RDCRSPRRJDFOQM-HXUWFJFHSA-N 2 1 407.603 0.994 20 0 HCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672203965 1080501164 /nfs/dbraw/zinc/50/11/64/1080501164.db2.gz RDCRSPRRJDFOQM-HXUWFJFHSA-N 2 1 407.603 0.994 20 0 HCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672203965 1080501147 /nfs/dbraw/zinc/50/11/47/1080501147.db2.gz RDCRSPRRJDFOQM-HXUWFJFHSA-N 2 1 407.603 0.994 20 0 HCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672204412 1080502771 /nfs/dbraw/zinc/50/27/71/1080502771.db2.gz XFAZUFWVZMHPDS-PMACEKPBSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672204412 1080502754 /nfs/dbraw/zinc/50/27/54/1080502754.db2.gz XFAZUFWVZMHPDS-PMACEKPBSA-N 2 1 402.539 0.860 20 0 HCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672204412 1080502739 /nfs/dbraw/zinc/50/27/39/1080502739.db2.gz XFAZUFWVZMHPDS-PMACEKPBSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672204413 1080503227 /nfs/dbraw/zinc/50/32/27/1080503227.db2.gz XFAZUFWVZMHPDS-UXHICEINSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672204413 1080503216 /nfs/dbraw/zinc/50/32/16/1080503216.db2.gz XFAZUFWVZMHPDS-UXHICEINSA-N 2 1 402.539 0.860 20 0 HCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672204413 1080503203 /nfs/dbraw/zinc/50/32/03/1080503203.db2.gz XFAZUFWVZMHPDS-UXHICEINSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672204414 1080503154 /nfs/dbraw/zinc/50/31/54/1080503154.db2.gz XFAZUFWVZMHPDS-VQTJNVASSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672204414 1080503134 /nfs/dbraw/zinc/50/31/34/1080503134.db2.gz XFAZUFWVZMHPDS-VQTJNVASSA-N 2 1 402.539 0.860 20 0 HCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672204414 1080503125 /nfs/dbraw/zinc/50/31/25/1080503125.db2.gz XFAZUFWVZMHPDS-VQTJNVASSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672204415 1080502951 /nfs/dbraw/zinc/50/29/51/1080502951.db2.gz XFAZUFWVZMHPDS-WOJBJXKFSA-N 2 1 402.539 0.860 20 0 HCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672204415 1080502933 /nfs/dbraw/zinc/50/29/33/1080502933.db2.gz XFAZUFWVZMHPDS-WOJBJXKFSA-N 2 1 402.539 0.860 20 0 HCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672204415 1080502916 /nfs/dbraw/zinc/50/29/16/1080502916.db2.gz XFAZUFWVZMHPDS-WOJBJXKFSA-N 2 1 402.539 0.860 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672224638 1080512225 /nfs/dbraw/zinc/51/22/25/1080512225.db2.gz WBMCKMGDBUJFMN-FQEVSTJZSA-N 2 1 414.550 0.860 20 0 HCADMP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672224639 1080512529 /nfs/dbraw/zinc/51/25/29/1080512529.db2.gz WBMCKMGDBUJFMN-HXUWFJFHSA-N 2 1 414.550 0.860 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672224930 1080511492 /nfs/dbraw/zinc/51/14/92/1080511492.db2.gz CHHQVYJMEDHSDO-JXFKEZNVSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672224930 1080511476 /nfs/dbraw/zinc/51/14/76/1080511476.db2.gz CHHQVYJMEDHSDO-JXFKEZNVSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672224931 1080511759 /nfs/dbraw/zinc/51/17/59/1080511759.db2.gz CHHQVYJMEDHSDO-OXJNMPFZSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672224931 1080511742 /nfs/dbraw/zinc/51/17/42/1080511742.db2.gz CHHQVYJMEDHSDO-OXJNMPFZSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672224932 1080511917 /nfs/dbraw/zinc/51/19/17/1080511917.db2.gz CHHQVYJMEDHSDO-OXQOHEQNSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672224932 1080511902 /nfs/dbraw/zinc/51/19/02/1080511902.db2.gz CHHQVYJMEDHSDO-OXQOHEQNSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672224933 1080511673 /nfs/dbraw/zinc/51/16/73/1080511673.db2.gz CHHQVYJMEDHSDO-UZLBHIALSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672224933 1080511657 /nfs/dbraw/zinc/51/16/57/1080511657.db2.gz CHHQVYJMEDHSDO-UZLBHIALSA-N 2 1 418.538 0.095 20 0 HCADMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000672247603 1080526698 /nfs/dbraw/zinc/52/66/98/1080526698.db2.gz ACIJMEDCDOPBCF-MOPGFXCFSA-N 2 1 415.538 0.211 20 0 HCADMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000672247604 1080526785 /nfs/dbraw/zinc/52/67/85/1080526785.db2.gz ACIJMEDCDOPBCF-OALUTQOASA-N 2 1 415.538 0.211 20 0 HCADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000672247605 1080526290 /nfs/dbraw/zinc/52/62/90/1080526290.db2.gz ACIJMEDCDOPBCF-RBUKOAKNSA-N 2 1 415.538 0.211 20 0 HCADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000672247606 1080526484 /nfs/dbraw/zinc/52/64/84/1080526484.db2.gz ACIJMEDCDOPBCF-RTBURBONSA-N 2 1 415.538 0.211 20 0 HCADMP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000672256640 1080532493 /nfs/dbraw/zinc/53/24/93/1080532493.db2.gz PSJRNGFORFRFKB-UHFFFAOYSA-N 2 1 420.554 0.548 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672256687 1080532458 /nfs/dbraw/zinc/53/24/58/1080532458.db2.gz GMAPPXLFYQGNAV-APWZRJJASA-N 2 1 406.527 0.469 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672256687 1080532444 /nfs/dbraw/zinc/53/24/44/1080532444.db2.gz GMAPPXLFYQGNAV-APWZRJJASA-N 2 1 406.527 0.469 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672256688 1080532558 /nfs/dbraw/zinc/53/25/58/1080532558.db2.gz GMAPPXLFYQGNAV-LPHOPBHVSA-N 2 1 406.527 0.469 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672256688 1080532549 /nfs/dbraw/zinc/53/25/49/1080532549.db2.gz GMAPPXLFYQGNAV-LPHOPBHVSA-N 2 1 406.527 0.469 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672256689 1080532312 /nfs/dbraw/zinc/53/23/12/1080532312.db2.gz GMAPPXLFYQGNAV-QFBILLFUSA-N 2 1 406.527 0.469 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672256689 1080532295 /nfs/dbraw/zinc/53/22/95/1080532295.db2.gz GMAPPXLFYQGNAV-QFBILLFUSA-N 2 1 406.527 0.469 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672256690 1080532352 /nfs/dbraw/zinc/53/23/52/1080532352.db2.gz GMAPPXLFYQGNAV-VQIMIIECSA-N 2 1 406.527 0.469 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672256690 1080532339 /nfs/dbraw/zinc/53/23/39/1080532339.db2.gz GMAPPXLFYQGNAV-VQIMIIECSA-N 2 1 406.527 0.469 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672257317 1080532889 /nfs/dbraw/zinc/53/28/89/1080532889.db2.gz IVJPVNNPDAGMHG-APWZRJJASA-N 2 1 406.527 0.121 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672257317 1080532876 /nfs/dbraw/zinc/53/28/76/1080532876.db2.gz IVJPVNNPDAGMHG-APWZRJJASA-N 2 1 406.527 0.121 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672257318 1080533382 /nfs/dbraw/zinc/53/33/82/1080533382.db2.gz IVJPVNNPDAGMHG-LPHOPBHVSA-N 2 1 406.527 0.121 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672257318 1080533364 /nfs/dbraw/zinc/53/33/64/1080533364.db2.gz IVJPVNNPDAGMHG-LPHOPBHVSA-N 2 1 406.527 0.121 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672257319 1080533142 /nfs/dbraw/zinc/53/31/42/1080533142.db2.gz IVJPVNNPDAGMHG-QFBILLFUSA-N 2 1 406.527 0.121 20 0 HCADMP C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672257319 1080533131 /nfs/dbraw/zinc/53/31/31/1080533131.db2.gz IVJPVNNPDAGMHG-QFBILLFUSA-N 2 1 406.527 0.121 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672257320 1080533433 /nfs/dbraw/zinc/53/34/33/1080533433.db2.gz IVJPVNNPDAGMHG-VQIMIIECSA-N 2 1 406.527 0.121 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672257320 1080533415 /nfs/dbraw/zinc/53/34/15/1080533415.db2.gz IVJPVNNPDAGMHG-VQIMIIECSA-N 2 1 406.527 0.121 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672262103 1080539506 /nfs/dbraw/zinc/53/95/06/1080539506.db2.gz YXQYLNTUEUSCAN-BWPNAZKDSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672262103 1080539494 /nfs/dbraw/zinc/53/94/94/1080539494.db2.gz YXQYLNTUEUSCAN-BWPNAZKDSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672262103 1080539487 /nfs/dbraw/zinc/53/94/87/1080539487.db2.gz YXQYLNTUEUSCAN-BWPNAZKDSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672262103 1080539474 /nfs/dbraw/zinc/53/94/74/1080539474.db2.gz YXQYLNTUEUSCAN-BWPNAZKDSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000672262103 1080539462 /nfs/dbraw/zinc/53/94/62/1080539462.db2.gz YXQYLNTUEUSCAN-BWPNAZKDSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672262104 1080539559 /nfs/dbraw/zinc/53/95/59/1080539559.db2.gz YXQYLNTUEUSCAN-PIKOESSRSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672262104 1080539549 /nfs/dbraw/zinc/53/95/49/1080539549.db2.gz YXQYLNTUEUSCAN-PIKOESSRSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672262104 1080539538 /nfs/dbraw/zinc/53/95/38/1080539538.db2.gz YXQYLNTUEUSCAN-PIKOESSRSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672262104 1080539527 /nfs/dbraw/zinc/53/95/27/1080539527.db2.gz YXQYLNTUEUSCAN-PIKOESSRSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000672262104 1080539519 /nfs/dbraw/zinc/53/95/19/1080539519.db2.gz YXQYLNTUEUSCAN-PIKOESSRSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672262105 1080539170 /nfs/dbraw/zinc/53/91/70/1080539170.db2.gz YXQYLNTUEUSCAN-RAUXBKROSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672262105 1080539156 /nfs/dbraw/zinc/53/91/56/1080539156.db2.gz YXQYLNTUEUSCAN-RAUXBKROSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672262105 1080539147 /nfs/dbraw/zinc/53/91/47/1080539147.db2.gz YXQYLNTUEUSCAN-RAUXBKROSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000672262105 1080539136 /nfs/dbraw/zinc/53/91/36/1080539136.db2.gz YXQYLNTUEUSCAN-RAUXBKROSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CN(C)CCO1 ZINC000672262105 1080539125 /nfs/dbraw/zinc/53/91/25/1080539125.db2.gz YXQYLNTUEUSCAN-RAUXBKROSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672262106 1080539362 /nfs/dbraw/zinc/53/93/62/1080539362.db2.gz YXQYLNTUEUSCAN-XEYPJELSSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672262106 1080539352 /nfs/dbraw/zinc/53/93/52/1080539352.db2.gz YXQYLNTUEUSCAN-XEYPJELSSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672262106 1080539345 /nfs/dbraw/zinc/53/93/45/1080539345.db2.gz YXQYLNTUEUSCAN-XEYPJELSSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672262106 1080539334 /nfs/dbraw/zinc/53/93/34/1080539334.db2.gz YXQYLNTUEUSCAN-XEYPJELSSA-N 2 1 402.539 0.991 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000672262106 1080539322 /nfs/dbraw/zinc/53/93/22/1080539322.db2.gz YXQYLNTUEUSCAN-XEYPJELSSA-N 2 1 402.539 0.991 20 0 HCADMP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000672269640 1080542822 /nfs/dbraw/zinc/54/28/22/1080542822.db2.gz WADOJKPUCQWBCD-DLBZAZTESA-N 2 1 416.522 0.400 20 0 HCADMP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000672269640 1080542809 /nfs/dbraw/zinc/54/28/09/1080542809.db2.gz WADOJKPUCQWBCD-DLBZAZTESA-N 2 1 416.522 0.400 20 0 HCADMP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000672269641 1080543084 /nfs/dbraw/zinc/54/30/84/1080543084.db2.gz WADOJKPUCQWBCD-IAGOWNOFSA-N 2 1 416.522 0.400 20 0 HCADMP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000672269641 1080543069 /nfs/dbraw/zinc/54/30/69/1080543069.db2.gz WADOJKPUCQWBCD-IAGOWNOFSA-N 2 1 416.522 0.400 20 0 HCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301517 1080554067 /nfs/dbraw/zinc/55/40/67/1080554067.db2.gz FSAGXZAZAXXURI-GOSISDBHSA-N 2 1 417.558 0.096 20 0 HCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301518 1080554314 /nfs/dbraw/zinc/55/43/14/1080554314.db2.gz FSAGXZAZAXXURI-SFHVURJKSA-N 2 1 417.558 0.096 20 0 HCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304119 1080555030 /nfs/dbraw/zinc/55/50/30/1080555030.db2.gz IJMQOHQYYXXTIO-MSOLQXFVSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304119 1080555023 /nfs/dbraw/zinc/55/50/23/1080555023.db2.gz IJMQOHQYYXXTIO-MSOLQXFVSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304120 1080554651 /nfs/dbraw/zinc/55/46/51/1080554651.db2.gz IJMQOHQYYXXTIO-QZTJIDSGSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304120 1080554642 /nfs/dbraw/zinc/55/46/42/1080554642.db2.gz IJMQOHQYYXXTIO-QZTJIDSGSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304121 1080554994 /nfs/dbraw/zinc/55/49/94/1080554994.db2.gz IJMQOHQYYXXTIO-ROUUACIJSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304121 1080554986 /nfs/dbraw/zinc/55/49/86/1080554986.db2.gz IJMQOHQYYXXTIO-ROUUACIJSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304123 1080554525 /nfs/dbraw/zinc/55/45/25/1080554525.db2.gz IJMQOHQYYXXTIO-ZWKOTPCHSA-N 2 1 419.595 0.753 20 0 HCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2cccs2)CC1 ZINC000672304123 1080554519 /nfs/dbraw/zinc/55/45/19/1080554519.db2.gz IJMQOHQYYXXTIO-ZWKOTPCHSA-N 2 1 419.595 0.753 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)nc(C)[nH+]1 ZINC000672304220 1080554567 /nfs/dbraw/zinc/55/45/67/1080554567.db2.gz NAJJQPZCYXKNBQ-GOSISDBHSA-N 2 1 400.527 0.779 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)nc(C)[nH+]1 ZINC000672304220 1080554559 /nfs/dbraw/zinc/55/45/59/1080554559.db2.gz NAJJQPZCYXKNBQ-GOSISDBHSA-N 2 1 400.527 0.779 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)nc(C)[nH+]1 ZINC000672304221 1080554804 /nfs/dbraw/zinc/55/48/04/1080554804.db2.gz NAJJQPZCYXKNBQ-SFHVURJKSA-N 2 1 400.527 0.779 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)nc(C)[nH+]1 ZINC000672304221 1080554799 /nfs/dbraw/zinc/55/47/99/1080554799.db2.gz NAJJQPZCYXKNBQ-SFHVURJKSA-N 2 1 400.527 0.779 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672305714 1080553518 /nfs/dbraw/zinc/55/35/18/1080553518.db2.gz AKFSULVDDGRDPA-IBGZPJMESA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672305714 1080553512 /nfs/dbraw/zinc/55/35/12/1080553512.db2.gz AKFSULVDDGRDPA-IBGZPJMESA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672305714 1080553506 /nfs/dbraw/zinc/55/35/06/1080553506.db2.gz AKFSULVDDGRDPA-IBGZPJMESA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672305715 1080553750 /nfs/dbraw/zinc/55/37/50/1080553750.db2.gz AKFSULVDDGRDPA-LJQANCHMSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672305715 1080553743 /nfs/dbraw/zinc/55/37/43/1080553743.db2.gz AKFSULVDDGRDPA-LJQANCHMSA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672305715 1080553733 /nfs/dbraw/zinc/55/37/33/1080553733.db2.gz AKFSULVDDGRDPA-LJQANCHMSA-N 2 1 405.587 0.604 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000672305966 1080552801 /nfs/dbraw/zinc/55/28/01/1080552801.db2.gz LQYZDNZGOJGRLM-INIZCTEOSA-N 2 1 420.476 0.700 20 0 HCADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000672305966 1080552796 /nfs/dbraw/zinc/55/27/96/1080552796.db2.gz LQYZDNZGOJGRLM-INIZCTEOSA-N 2 1 420.476 0.700 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000672305967 1080553636 /nfs/dbraw/zinc/55/36/36/1080553636.db2.gz LQYZDNZGOJGRLM-MRXNPFEDSA-N 2 1 420.476 0.700 20 0 HCADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000672305967 1080553633 /nfs/dbraw/zinc/55/36/33/1080553633.db2.gz LQYZDNZGOJGRLM-MRXNPFEDSA-N 2 1 420.476 0.700 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306924 1080556247 /nfs/dbraw/zinc/55/62/47/1080556247.db2.gz FTJFJAFGJFEFNC-FQEVSTJZSA-N 2 1 414.550 0.860 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306925 1080556029 /nfs/dbraw/zinc/55/60/29/1080556029.db2.gz FTJFJAFGJFEFNC-HXUWFJFHSA-N 2 1 414.550 0.860 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)(N2CCCCC2)CC1 ZINC000672307647 1080555572 /nfs/dbraw/zinc/55/55/72/1080555572.db2.gz HZHNZWHQBIAWCK-IBGZPJMESA-N 2 1 405.587 0.653 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)(N2CCCCC2)CC1 ZINC000672307647 1080555563 /nfs/dbraw/zinc/55/55/63/1080555563.db2.gz HZHNZWHQBIAWCK-IBGZPJMESA-N 2 1 405.587 0.653 20 0 HCADMP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000672307647 1080555555 /nfs/dbraw/zinc/55/55/55/1080555555.db2.gz HZHNZWHQBIAWCK-IBGZPJMESA-N 2 1 405.587 0.653 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)(N2CCCCC2)CC1 ZINC000672307648 1080555473 /nfs/dbraw/zinc/55/54/73/1080555473.db2.gz HZHNZWHQBIAWCK-LJQANCHMSA-N 2 1 405.587 0.653 20 0 HCADMP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)(N2CCCCC2)CC1 ZINC000672307648 1080555464 /nfs/dbraw/zinc/55/54/64/1080555464.db2.gz HZHNZWHQBIAWCK-LJQANCHMSA-N 2 1 405.587 0.653 20 0 HCADMP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000672307648 1080555456 /nfs/dbraw/zinc/55/54/56/1080555456.db2.gz HZHNZWHQBIAWCK-LJQANCHMSA-N 2 1 405.587 0.653 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672307882 1080557566 /nfs/dbraw/zinc/55/75/66/1080557566.db2.gz QOFJASUBAPGWLP-IBGZPJMESA-N 2 1 405.587 0.604 20 0 HCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672307883 1080557171 /nfs/dbraw/zinc/55/71/71/1080557171.db2.gz QOFJASUBAPGWLP-LJQANCHMSA-N 2 1 405.587 0.604 20 0 HCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000672308944 1080560549 /nfs/dbraw/zinc/56/05/49/1080560549.db2.gz FJTUGGWZGGLZTN-FQEVSTJZSA-N 2 1 406.571 0.938 20 0 HCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000672308949 1080560587 /nfs/dbraw/zinc/56/05/87/1080560587.db2.gz FJTUGGWZGGLZTN-HXUWFJFHSA-N 2 1 406.571 0.938 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309149 1080559579 /nfs/dbraw/zinc/55/95/79/1080559579.db2.gz KZJDDVDZNPKYKA-PMACEKPBSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309149 1080559573 /nfs/dbraw/zinc/55/95/73/1080559573.db2.gz KZJDDVDZNPKYKA-PMACEKPBSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672309149 1080559566 /nfs/dbraw/zinc/55/95/66/1080559566.db2.gz KZJDDVDZNPKYKA-PMACEKPBSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309150 1080559477 /nfs/dbraw/zinc/55/94/77/1080559477.db2.gz KZJDDVDZNPKYKA-UXHICEINSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309150 1080559465 /nfs/dbraw/zinc/55/94/65/1080559465.db2.gz KZJDDVDZNPKYKA-UXHICEINSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672309150 1080559455 /nfs/dbraw/zinc/55/94/55/1080559455.db2.gz KZJDDVDZNPKYKA-UXHICEINSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309151 1080560450 /nfs/dbraw/zinc/56/04/50/1080560450.db2.gz KZJDDVDZNPKYKA-VQTJNVASSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309151 1080560443 /nfs/dbraw/zinc/56/04/43/1080560443.db2.gz KZJDDVDZNPKYKA-VQTJNVASSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672309151 1080560432 /nfs/dbraw/zinc/56/04/32/1080560432.db2.gz KZJDDVDZNPKYKA-VQTJNVASSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672309152 1080560326 /nfs/dbraw/zinc/56/03/26/1080560326.db2.gz KZJDDVDZNPKYKA-WOJBJXKFSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309152 1080560317 /nfs/dbraw/zinc/56/03/17/1080560317.db2.gz KZJDDVDZNPKYKA-WOJBJXKFSA-N 2 1 400.523 0.470 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672309152 1080560307 /nfs/dbraw/zinc/56/03/07/1080560307.db2.gz KZJDDVDZNPKYKA-WOJBJXKFSA-N 2 1 400.523 0.470 20 0 HCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672309971 1080557327 /nfs/dbraw/zinc/55/73/27/1080557327.db2.gz BJDXPXVLSNHZDH-GGPKGHCWSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672309972 1080557218 /nfs/dbraw/zinc/55/72/18/1080557218.db2.gz BJDXPXVLSNHZDH-NSHGMRRFSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309972 1080557207 /nfs/dbraw/zinc/55/72/07/1080557207.db2.gz BJDXPXVLSNHZDH-NSHGMRRFSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672309972 1080557198 /nfs/dbraw/zinc/55/71/98/1080557198.db2.gz BJDXPXVLSNHZDH-NSHGMRRFSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672309973 1080557541 /nfs/dbraw/zinc/55/75/41/1080557541.db2.gz BJDXPXVLSNHZDH-QWFCFKBJSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672309974 1080557454 /nfs/dbraw/zinc/55/74/54/1080557454.db2.gz BJDXPXVLSNHZDH-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309974 1080557446 /nfs/dbraw/zinc/55/74/46/1080557446.db2.gz BJDXPXVLSNHZDH-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672309974 1080557439 /nfs/dbraw/zinc/55/74/39/1080557439.db2.gz BJDXPXVLSNHZDH-WSTZPKSXSA-N 2 1 405.587 0.604 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310540 1080558625 /nfs/dbraw/zinc/55/86/25/1080558625.db2.gz YGKSNRNTTAQVKO-AZUAARDMSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310540 1080558615 /nfs/dbraw/zinc/55/86/15/1080558615.db2.gz YGKSNRNTTAQVKO-AZUAARDMSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310541 1080558987 /nfs/dbraw/zinc/55/89/87/1080558987.db2.gz YGKSNRNTTAQVKO-ICSRJNTNSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310541 1080558982 /nfs/dbraw/zinc/55/89/82/1080558982.db2.gz YGKSNRNTTAQVKO-ICSRJNTNSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310542 1080559143 /nfs/dbraw/zinc/55/91/43/1080559143.db2.gz YGKSNRNTTAQVKO-QUCCMNQESA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310542 1080559136 /nfs/dbraw/zinc/55/91/36/1080559136.db2.gz YGKSNRNTTAQVKO-QUCCMNQESA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310543 1080558762 /nfs/dbraw/zinc/55/87/62/1080558762.db2.gz YGKSNRNTTAQVKO-UYAOXDASSA-N 2 1 413.566 0.914 20 0 HCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310543 1080558754 /nfs/dbraw/zinc/55/87/54/1080558754.db2.gz YGKSNRNTTAQVKO-UYAOXDASSA-N 2 1 413.566 0.914 20 0 HCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310578 1080558669 /nfs/dbraw/zinc/55/86/69/1080558669.db2.gz ZXRVSFLFZAPLMO-LEWJYISDSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310578 1080558662 /nfs/dbraw/zinc/55/86/62/1080558662.db2.gz ZXRVSFLFZAPLMO-LEWJYISDSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310578 1080558652 /nfs/dbraw/zinc/55/86/52/1080558652.db2.gz ZXRVSFLFZAPLMO-LEWJYISDSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310579 1080559025 /nfs/dbraw/zinc/55/90/25/1080559025.db2.gz ZXRVSFLFZAPLMO-NHCUHLMSSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310579 1080559018 /nfs/dbraw/zinc/55/90/18/1080559018.db2.gz ZXRVSFLFZAPLMO-NHCUHLMSSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310579 1080559013 /nfs/dbraw/zinc/55/90/13/1080559013.db2.gz ZXRVSFLFZAPLMO-NHCUHLMSSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310580 1080559067 /nfs/dbraw/zinc/55/90/67/1080559067.db2.gz ZXRVSFLFZAPLMO-RTWAWAEBSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310580 1080559060 /nfs/dbraw/zinc/55/90/60/1080559060.db2.gz ZXRVSFLFZAPLMO-RTWAWAEBSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310580 1080559053 /nfs/dbraw/zinc/55/90/53/1080559053.db2.gz ZXRVSFLFZAPLMO-RTWAWAEBSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310581 1080558849 /nfs/dbraw/zinc/55/88/49/1080558849.db2.gz ZXRVSFLFZAPLMO-SFTDATJTSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310581 1080558839 /nfs/dbraw/zinc/55/88/39/1080558839.db2.gz ZXRVSFLFZAPLMO-SFTDATJTSA-N 2 1 414.550 0.994 20 0 HCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310581 1080558832 /nfs/dbraw/zinc/55/88/32/1080558832.db2.gz ZXRVSFLFZAPLMO-SFTDATJTSA-N 2 1 414.550 0.994 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672311002 1080558337 /nfs/dbraw/zinc/55/83/37/1080558337.db2.gz RBWNDNMWPCJTTH-GOSISDBHSA-N 2 1 421.586 0.330 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672311003 1080558026 /nfs/dbraw/zinc/55/80/26/1080558026.db2.gz RBWNDNMWPCJTTH-SFHVURJKSA-N 2 1 421.586 0.330 20 0 HCADMP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312141 1080559420 /nfs/dbraw/zinc/55/94/20/1080559420.db2.gz WRNXFHXTMOERPY-IBGZPJMESA-N 2 1 406.571 0.986 20 0 HCADMP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672312142 1080559684 /nfs/dbraw/zinc/55/96/84/1080559684.db2.gz WRNXFHXTMOERPY-LJQANCHMSA-N 2 1 406.571 0.986 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000672312151 1080559654 /nfs/dbraw/zinc/55/96/54/1080559654.db2.gz XDFWMMAPASTIHH-DZFGPLHGSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000672312151 1080559642 /nfs/dbraw/zinc/55/96/42/1080559642.db2.gz XDFWMMAPASTIHH-DZFGPLHGSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312151 1080559633 /nfs/dbraw/zinc/55/96/33/1080559633.db2.gz XDFWMMAPASTIHH-DZFGPLHGSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312151 1080559626 /nfs/dbraw/zinc/55/96/26/1080559626.db2.gz XDFWMMAPASTIHH-DZFGPLHGSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000672312152 1080559385 /nfs/dbraw/zinc/55/93/85/1080559385.db2.gz XDFWMMAPASTIHH-IOMROCGXSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000672312152 1080559376 /nfs/dbraw/zinc/55/93/76/1080559376.db2.gz XDFWMMAPASTIHH-IOMROCGXSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312152 1080559365 /nfs/dbraw/zinc/55/93/65/1080559365.db2.gz XDFWMMAPASTIHH-IOMROCGXSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312152 1080559355 /nfs/dbraw/zinc/55/93/55/1080559355.db2.gz XDFWMMAPASTIHH-IOMROCGXSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000672312153 1080559867 /nfs/dbraw/zinc/55/98/67/1080559867.db2.gz XDFWMMAPASTIHH-WMQCIHAUSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000672312153 1080559858 /nfs/dbraw/zinc/55/98/58/1080559858.db2.gz XDFWMMAPASTIHH-WMQCIHAUSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312153 1080559849 /nfs/dbraw/zinc/55/98/49/1080559849.db2.gz XDFWMMAPASTIHH-WMQCIHAUSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312153 1080559840 /nfs/dbraw/zinc/55/98/40/1080559840.db2.gz XDFWMMAPASTIHH-WMQCIHAUSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000672312154 1080559941 /nfs/dbraw/zinc/55/99/41/1080559941.db2.gz XDFWMMAPASTIHH-YYWHXJBOSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000672312154 1080559933 /nfs/dbraw/zinc/55/99/33/1080559933.db2.gz XDFWMMAPASTIHH-YYWHXJBOSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312154 1080559925 /nfs/dbraw/zinc/55/99/25/1080559925.db2.gz XDFWMMAPASTIHH-YYWHXJBOSA-N 2 1 414.550 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000672312154 1080559916 /nfs/dbraw/zinc/55/99/16/1080559916.db2.gz XDFWMMAPASTIHH-YYWHXJBOSA-N 2 1 414.550 0.993 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672312517 1080560907 /nfs/dbraw/zinc/56/09/07/1080560907.db2.gz UVSNLVAZTRRMLA-IBGZPJMESA-N 2 1 405.587 0.463 20 0 HCADMP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672312518 1080561107 /nfs/dbraw/zinc/56/11/07/1080561107.db2.gz UVSNLVAZTRRMLA-LJQANCHMSA-N 2 1 405.587 0.463 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313416 1080561398 /nfs/dbraw/zinc/56/13/98/1080561398.db2.gz ZBDBKXACURVJHH-GOSISDBHSA-N 2 1 421.586 0.032 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313416 1080561385 /nfs/dbraw/zinc/56/13/85/1080561385.db2.gz ZBDBKXACURVJHH-GOSISDBHSA-N 2 1 421.586 0.032 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313417 1080561583 /nfs/dbraw/zinc/56/15/83/1080561583.db2.gz ZBDBKXACURVJHH-SFHVURJKSA-N 2 1 421.586 0.032 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313417 1080561581 /nfs/dbraw/zinc/56/15/81/1080561581.db2.gz ZBDBKXACURVJHH-SFHVURJKSA-N 2 1 421.586 0.032 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC000672329761 1080566713 /nfs/dbraw/zinc/56/67/13/1080566713.db2.gz GWFGPXSPPOKYSN-UHFFFAOYSA-N 2 1 407.603 0.994 20 0 HCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)CC2)CC1 ZINC000672329761 1080566706 /nfs/dbraw/zinc/56/67/06/1080566706.db2.gz GWFGPXSPPOKYSN-UHFFFAOYSA-N 2 1 407.603 0.994 20 0 HCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC000672329761 1080566702 /nfs/dbraw/zinc/56/67/02/1080566702.db2.gz GWFGPXSPPOKYSN-UHFFFAOYSA-N 2 1 407.603 0.994 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000672357898 1080574537 /nfs/dbraw/zinc/57/45/37/1080574537.db2.gz GEYNIHASYIKFJC-FQEVSTJZSA-N 2 1 402.539 0.866 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000672357898 1080574525 /nfs/dbraw/zinc/57/45/25/1080574525.db2.gz GEYNIHASYIKFJC-FQEVSTJZSA-N 2 1 402.539 0.866 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000672357898 1080574516 /nfs/dbraw/zinc/57/45/16/1080574516.db2.gz GEYNIHASYIKFJC-FQEVSTJZSA-N 2 1 402.539 0.866 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000672357899 1080574237 /nfs/dbraw/zinc/57/42/37/1080574237.db2.gz GEYNIHASYIKFJC-HXUWFJFHSA-N 2 1 402.539 0.866 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000672357899 1080574227 /nfs/dbraw/zinc/57/42/27/1080574227.db2.gz GEYNIHASYIKFJC-HXUWFJFHSA-N 2 1 402.539 0.866 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000672357899 1080574217 /nfs/dbraw/zinc/57/42/17/1080574217.db2.gz GEYNIHASYIKFJC-HXUWFJFHSA-N 2 1 402.539 0.866 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357944 1080574706 /nfs/dbraw/zinc/57/47/06/1080574706.db2.gz RSHNXEMCNPSIHC-AZUAARDMSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357944 1080574699 /nfs/dbraw/zinc/57/46/99/1080574699.db2.gz RSHNXEMCNPSIHC-AZUAARDMSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357944 1080574691 /nfs/dbraw/zinc/57/46/91/1080574691.db2.gz RSHNXEMCNPSIHC-AZUAARDMSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357945 1080574162 /nfs/dbraw/zinc/57/41/62/1080574162.db2.gz RSHNXEMCNPSIHC-ICSRJNTNSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357945 1080574151 /nfs/dbraw/zinc/57/41/51/1080574151.db2.gz RSHNXEMCNPSIHC-ICSRJNTNSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357945 1080574141 /nfs/dbraw/zinc/57/41/41/1080574141.db2.gz RSHNXEMCNPSIHC-ICSRJNTNSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357946 1080574398 /nfs/dbraw/zinc/57/43/98/1080574398.db2.gz RSHNXEMCNPSIHC-QUCCMNQESA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357946 1080574392 /nfs/dbraw/zinc/57/43/92/1080574392.db2.gz RSHNXEMCNPSIHC-QUCCMNQESA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357946 1080574384 /nfs/dbraw/zinc/57/43/84/1080574384.db2.gz RSHNXEMCNPSIHC-QUCCMNQESA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357947 1080574824 /nfs/dbraw/zinc/57/48/24/1080574824.db2.gz RSHNXEMCNPSIHC-UYAOXDASSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357947 1080574813 /nfs/dbraw/zinc/57/48/13/1080574813.db2.gz RSHNXEMCNPSIHC-UYAOXDASSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357947 1080574803 /nfs/dbraw/zinc/57/48/03/1080574803.db2.gz RSHNXEMCNPSIHC-UYAOXDASSA-N 2 1 402.539 0.946 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358503 1080579310 /nfs/dbraw/zinc/57/93/10/1080579310.db2.gz KYPBMMDZIYNTNV-BJLQDIEVSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000672358504 1080579356 /nfs/dbraw/zinc/57/93/56/1080579356.db2.gz KYPBMMDZIYNTNV-GGPKGHCWSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358505 1080579740 /nfs/dbraw/zinc/57/97/40/1080579740.db2.gz KYPBMMDZIYNTNV-NSHGMRRFSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358505 1080579735 /nfs/dbraw/zinc/57/97/35/1080579735.db2.gz KYPBMMDZIYNTNV-NSHGMRRFSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358505 1080579725 /nfs/dbraw/zinc/57/97/25/1080579725.db2.gz KYPBMMDZIYNTNV-NSHGMRRFSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358506 1080579817 /nfs/dbraw/zinc/57/98/17/1080579817.db2.gz KYPBMMDZIYNTNV-WSTZPKSXSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358506 1080579808 /nfs/dbraw/zinc/57/98/08/1080579808.db2.gz KYPBMMDZIYNTNV-WSTZPKSXSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358506 1080579801 /nfs/dbraw/zinc/57/98/01/1080579801.db2.gz KYPBMMDZIYNTNV-WSTZPKSXSA-N 2 1 424.586 0.561 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358603 1080579401 /nfs/dbraw/zinc/57/94/01/1080579401.db2.gz FTERDRQIKZDEHB-HSALFYBXSA-N 2 1 400.523 0.414 20 0 HCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358603 1080579396 /nfs/dbraw/zinc/57/93/96/1080579396.db2.gz FTERDRQIKZDEHB-HSALFYBXSA-N 2 1 400.523 0.414 20 0 HCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358603 1080579391 /nfs/dbraw/zinc/57/93/91/1080579391.db2.gz FTERDRQIKZDEHB-HSALFYBXSA-N 2 1 400.523 0.414 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358604 1080579427 /nfs/dbraw/zinc/57/94/27/1080579427.db2.gz FTERDRQIKZDEHB-ZCNNSNEGSA-N 2 1 400.523 0.414 20 0 HCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358604 1080579423 /nfs/dbraw/zinc/57/94/23/1080579423.db2.gz FTERDRQIKZDEHB-ZCNNSNEGSA-N 2 1 400.523 0.414 20 0 HCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358604 1080579419 /nfs/dbraw/zinc/57/94/19/1080579419.db2.gz FTERDRQIKZDEHB-ZCNNSNEGSA-N 2 1 400.523 0.414 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)C2)nc(C)[nH+]1 ZINC000672409108 1080594025 /nfs/dbraw/zinc/59/40/25/1080594025.db2.gz OYBWGNAWWINTFJ-BZSNNMDCSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)C2)nc(C)[nH+]1 ZINC000672409108 1080594016 /nfs/dbraw/zinc/59/40/16/1080594016.db2.gz OYBWGNAWWINTFJ-BZSNNMDCSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)C2)nc(C)[nH+]1 ZINC000672409109 1080594587 /nfs/dbraw/zinc/59/45/87/1080594587.db2.gz OYBWGNAWWINTFJ-FGTMMUONSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)C2)nc(C)[nH+]1 ZINC000672409109 1080594577 /nfs/dbraw/zinc/59/45/77/1080594577.db2.gz OYBWGNAWWINTFJ-FGTMMUONSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)C2)nc(C)[nH+]1 ZINC000672409110 1080594539 /nfs/dbraw/zinc/59/45/39/1080594539.db2.gz OYBWGNAWWINTFJ-OKZBNKHCSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)C2)nc(C)[nH+]1 ZINC000672409110 1080594532 /nfs/dbraw/zinc/59/45/32/1080594532.db2.gz OYBWGNAWWINTFJ-OKZBNKHCSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)C2)nc(C)[nH+]1 ZINC000672409111 1080594350 /nfs/dbraw/zinc/59/43/50/1080594350.db2.gz OYBWGNAWWINTFJ-SQNIBIBYSA-N 2 1 400.527 0.731 20 0 HCADMP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)C2)nc(C)[nH+]1 ZINC000672409111 1080594339 /nfs/dbraw/zinc/59/43/39/1080594339.db2.gz OYBWGNAWWINTFJ-SQNIBIBYSA-N 2 1 400.527 0.731 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672427436 1080601911 /nfs/dbraw/zinc/60/19/11/1080601911.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672427436 1080601905 /nfs/dbraw/zinc/60/19/05/1080601905.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000672427436 1080601900 /nfs/dbraw/zinc/60/19/00/1080601900.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000672427436 1080601896 /nfs/dbraw/zinc/60/18/96/1080601896.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[NH+](C3CCN(C)CC3)C1)C2 ZINC000672427436 1080601890 /nfs/dbraw/zinc/60/18/90/1080601890.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672427437 1080602148 /nfs/dbraw/zinc/60/21/48/1080602148.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000672427437 1080602143 /nfs/dbraw/zinc/60/21/43/1080602143.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000672427437 1080602140 /nfs/dbraw/zinc/60/21/40/1080602140.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000672427437 1080602134 /nfs/dbraw/zinc/60/21/34/1080602134.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 2 1 420.602 0.538 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[NH+](C3CCN(C)CC3)C1)C2 ZINC000672427437 1080602128 /nfs/dbraw/zinc/60/21/28/1080602128.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 2 1 420.602 0.538 20 0 HCADMP CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000672427592 1080601140 /nfs/dbraw/zinc/60/11/40/1080601140.db2.gz QFMCYCBXZKQANR-CVEARBPZSA-N 2 1 401.577 0.220 20 0 HCADMP CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000672427592 1080601137 /nfs/dbraw/zinc/60/11/37/1080601137.db2.gz QFMCYCBXZKQANR-CVEARBPZSA-N 2 1 401.577 0.220 20 0 HCADMP CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000672427593 1080600965 /nfs/dbraw/zinc/60/09/65/1080600965.db2.gz QFMCYCBXZKQANR-HZPDHXFCSA-N 2 1 401.577 0.220 20 0 HCADMP CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000672427593 1080600959 /nfs/dbraw/zinc/60/09/59/1080600959.db2.gz QFMCYCBXZKQANR-HZPDHXFCSA-N 2 1 401.577 0.220 20 0 HCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427594 1080600925 /nfs/dbraw/zinc/60/09/25/1080600925.db2.gz QJMDTYBIIATXSH-GDBMZVCRSA-N 2 1 407.481 0.717 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427594 1080600917 /nfs/dbraw/zinc/60/09/17/1080600917.db2.gz QJMDTYBIIATXSH-GDBMZVCRSA-N 2 1 407.481 0.717 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427595 1080601177 /nfs/dbraw/zinc/60/11/77/1080601177.db2.gz QJMDTYBIIATXSH-GOEBONIOSA-N 2 1 407.481 0.717 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427595 1080601172 /nfs/dbraw/zinc/60/11/72/1080601172.db2.gz QJMDTYBIIATXSH-GOEBONIOSA-N 2 1 407.481 0.717 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427596 1080601074 /nfs/dbraw/zinc/60/10/74/1080601074.db2.gz QJMDTYBIIATXSH-HOCLYGCPSA-N 2 1 407.481 0.717 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427596 1080601068 /nfs/dbraw/zinc/60/10/68/1080601068.db2.gz QJMDTYBIIATXSH-HOCLYGCPSA-N 2 1 407.481 0.717 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CCCC2)CC1 ZINC000672442172 1080604123 /nfs/dbraw/zinc/60/41/23/1080604123.db2.gz VOTFYWXLMJWHIJ-AEFFLSMTSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CCCC2)CC1 ZINC000672442172 1080604104 /nfs/dbraw/zinc/60/41/04/1080604104.db2.gz VOTFYWXLMJWHIJ-AEFFLSMTSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CCCC2)CC1 ZINC000672442173 1080603673 /nfs/dbraw/zinc/60/36/73/1080603673.db2.gz VOTFYWXLMJWHIJ-FUHWJXTLSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CCCC2)CC1 ZINC000672442173 1080603669 /nfs/dbraw/zinc/60/36/69/1080603669.db2.gz VOTFYWXLMJWHIJ-FUHWJXTLSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CCCC2)CC1 ZINC000672442174 1080603718 /nfs/dbraw/zinc/60/37/18/1080603718.db2.gz VOTFYWXLMJWHIJ-SJLPKXTDSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CCCC2)CC1 ZINC000672442174 1080603714 /nfs/dbraw/zinc/60/37/14/1080603714.db2.gz VOTFYWXLMJWHIJ-SJLPKXTDSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CCCC2)CC1 ZINC000672442175 1080603619 /nfs/dbraw/zinc/60/36/19/1080603619.db2.gz VOTFYWXLMJWHIJ-WMZOPIPTSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CCCC2)CC1 ZINC000672442175 1080603614 /nfs/dbraw/zinc/60/36/14/1080603614.db2.gz VOTFYWXLMJWHIJ-WMZOPIPTSA-N 2 1 410.559 0.362 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672442786 1080604894 /nfs/dbraw/zinc/60/48/94/1080604894.db2.gz HIPDPPCBMZCDJU-KRWDZBQOSA-N 2 1 423.602 0.277 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672442786 1080604889 /nfs/dbraw/zinc/60/48/89/1080604889.db2.gz HIPDPPCBMZCDJU-KRWDZBQOSA-N 2 1 423.602 0.277 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672442787 1080604978 /nfs/dbraw/zinc/60/49/78/1080604978.db2.gz HIPDPPCBMZCDJU-QGZVFWFLSA-N 2 1 423.602 0.277 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672442787 1080604973 /nfs/dbraw/zinc/60/49/73/1080604973.db2.gz HIPDPPCBMZCDJU-QGZVFWFLSA-N 2 1 423.602 0.277 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672442844 1080605041 /nfs/dbraw/zinc/60/50/41/1080605041.db2.gz RJVQUVJBVXXBJA-GOSISDBHSA-N 2 1 423.602 0.230 20 0 HCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672442845 1080604954 /nfs/dbraw/zinc/60/49/54/1080604954.db2.gz RJVQUVJBVXXBJA-SFHVURJKSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672464642 1080634382 /nfs/dbraw/zinc/63/43/82/1080634382.db2.gz MTFHGAZXKHABGH-JLMWRMLUSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672464642 1080634377 /nfs/dbraw/zinc/63/43/77/1080634377.db2.gz MTFHGAZXKHABGH-JLMWRMLUSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672464642 1080634373 /nfs/dbraw/zinc/63/43/73/1080634373.db2.gz MTFHGAZXKHABGH-JLMWRMLUSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672464642 1080634371 /nfs/dbraw/zinc/63/43/71/1080634371.db2.gz MTFHGAZXKHABGH-JLMWRMLUSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672464643 1080635407 /nfs/dbraw/zinc/63/54/07/1080635407.db2.gz MTFHGAZXKHABGH-KPLVRAHFSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000672464643 1080635406 /nfs/dbraw/zinc/63/54/06/1080635406.db2.gz MTFHGAZXKHABGH-KPLVRAHFSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672464643 1080635402 /nfs/dbraw/zinc/63/54/02/1080635402.db2.gz MTFHGAZXKHABGH-KPLVRAHFSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672464643 1080635401 /nfs/dbraw/zinc/63/54/01/1080635401.db2.gz MTFHGAZXKHABGH-KPLVRAHFSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672464644 1080635427 /nfs/dbraw/zinc/63/54/27/1080635427.db2.gz MTFHGAZXKHABGH-LQBOVUBWSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672464644 1080635423 /nfs/dbraw/zinc/63/54/23/1080635423.db2.gz MTFHGAZXKHABGH-LQBOVUBWSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672464644 1080635420 /nfs/dbraw/zinc/63/54/20/1080635420.db2.gz MTFHGAZXKHABGH-LQBOVUBWSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672464644 1080635417 /nfs/dbraw/zinc/63/54/17/1080635417.db2.gz MTFHGAZXKHABGH-LQBOVUBWSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672464645 1080635308 /nfs/dbraw/zinc/63/53/08/1080635308.db2.gz MTFHGAZXKHABGH-LRXVAGHRSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000672464645 1080635306 /nfs/dbraw/zinc/63/53/06/1080635306.db2.gz MTFHGAZXKHABGH-LRXVAGHRSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672464645 1080635303 /nfs/dbraw/zinc/63/53/03/1080635303.db2.gz MTFHGAZXKHABGH-LRXVAGHRSA-N 2 1 402.539 0.993 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672464645 1080635300 /nfs/dbraw/zinc/63/53/00/1080635300.db2.gz MTFHGAZXKHABGH-LRXVAGHRSA-N 2 1 402.539 0.993 20 0 HCADMP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000672500678 1080650771 /nfs/dbraw/zinc/65/07/71/1080650771.db2.gz QDCNLEQIKXNBHC-UHFFFAOYSA-N 2 1 412.575 0.611 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[C@@H]1CN(C)CCO1 ZINC000672501405 1080650115 /nfs/dbraw/zinc/65/01/15/1080650115.db2.gz URCGUUNVQZRUBD-MSOLQXFVSA-N 2 1 424.586 0.752 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000672513845 1080659226 /nfs/dbraw/zinc/65/92/26/1080659226.db2.gz WJVDVHDRWMISSM-DLBZAZTESA-N 2 1 421.586 0.424 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000672513845 1080659220 /nfs/dbraw/zinc/65/92/20/1080659220.db2.gz WJVDVHDRWMISSM-DLBZAZTESA-N 2 1 421.586 0.424 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000672513848 1080659284 /nfs/dbraw/zinc/65/92/84/1080659284.db2.gz WJVDVHDRWMISSM-IAGOWNOFSA-N 2 1 421.586 0.424 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000672513848 1080659280 /nfs/dbraw/zinc/65/92/80/1080659280.db2.gz WJVDVHDRWMISSM-IAGOWNOFSA-N 2 1 421.586 0.424 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000672513850 1080659076 /nfs/dbraw/zinc/65/90/76/1080659076.db2.gz WJVDVHDRWMISSM-IRXDYDNUSA-N 2 1 421.586 0.424 20 0 HCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000672513850 1080659071 /nfs/dbraw/zinc/65/90/71/1080659071.db2.gz WJVDVHDRWMISSM-IRXDYDNUSA-N 2 1 421.586 0.424 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000672513852 1080659347 /nfs/dbraw/zinc/65/93/47/1080659347.db2.gz WJVDVHDRWMISSM-SJORKVTESA-N 2 1 421.586 0.424 20 0 HCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000672513852 1080659343 /nfs/dbraw/zinc/65/93/43/1080659343.db2.gz WJVDVHDRWMISSM-SJORKVTESA-N 2 1 421.586 0.424 20 0 HCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672542930 1080673503 /nfs/dbraw/zinc/67/35/03/1080673503.db2.gz XCTDHRUDJCLHGO-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672542930 1080673497 /nfs/dbraw/zinc/67/34/97/1080673497.db2.gz XCTDHRUDJCLHGO-FQEVSTJZSA-N 2 1 407.603 0.852 20 0 HCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672542931 1080673158 /nfs/dbraw/zinc/67/31/58/1080673158.db2.gz XCTDHRUDJCLHGO-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672542931 1080673144 /nfs/dbraw/zinc/67/31/44/1080673144.db2.gz XCTDHRUDJCLHGO-HXUWFJFHSA-N 2 1 407.603 0.852 20 0 HCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)C1 ZINC000672573514 1080689521 /nfs/dbraw/zinc/68/95/21/1080689521.db2.gz DFMAPCMCCXJTSM-FQEVSTJZSA-N 2 1 407.603 0.997 20 0 HCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)C1 ZINC000672573515 1080689649 /nfs/dbraw/zinc/68/96/49/1080689649.db2.gz DFMAPCMCCXJTSM-HXUWFJFHSA-N 2 1 407.603 0.997 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588194 1080694790 /nfs/dbraw/zinc/69/47/90/1080694790.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588194 1080694784 /nfs/dbraw/zinc/69/47/84/1080694784.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588194 1080694777 /nfs/dbraw/zinc/69/47/77/1080694777.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588194 1080694773 /nfs/dbraw/zinc/69/47/73/1080694773.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588194 1080694769 /nfs/dbraw/zinc/69/47/69/1080694769.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588196 1080695773 /nfs/dbraw/zinc/69/57/73/1080695773.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588196 1080695770 /nfs/dbraw/zinc/69/57/70/1080695770.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588196 1080695765 /nfs/dbraw/zinc/69/57/65/1080695765.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588196 1080695761 /nfs/dbraw/zinc/69/57/61/1080695761.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588196 1080695758 /nfs/dbraw/zinc/69/57/58/1080695758.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588197 1080695928 /nfs/dbraw/zinc/69/59/28/1080695928.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588197 1080695924 /nfs/dbraw/zinc/69/59/24/1080695924.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588197 1080695919 /nfs/dbraw/zinc/69/59/19/1080695919.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588197 1080695915 /nfs/dbraw/zinc/69/59/15/1080695915.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588197 1080695912 /nfs/dbraw/zinc/69/59/12/1080695912.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588199 1080695890 /nfs/dbraw/zinc/69/58/90/1080695890.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588199 1080695887 /nfs/dbraw/zinc/69/58/87/1080695887.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588199 1080695883 /nfs/dbraw/zinc/69/58/83/1080695883.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588199 1080695879 /nfs/dbraw/zinc/69/58/79/1080695879.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588199 1080695875 /nfs/dbraw/zinc/69/58/75/1080695875.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 2 1 415.582 0.908 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588252 1080695832 /nfs/dbraw/zinc/69/58/32/1080695832.db2.gz HQXDOJKIKZAYRX-CTNGQTDRSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588252 1080695827 /nfs/dbraw/zinc/69/58/27/1080695827.db2.gz HQXDOJKIKZAYRX-CTNGQTDRSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588252 1080695824 /nfs/dbraw/zinc/69/58/24/1080695824.db2.gz HQXDOJKIKZAYRX-CTNGQTDRSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588254 1080695609 /nfs/dbraw/zinc/69/56/09/1080695609.db2.gz HQXDOJKIKZAYRX-FPOVZHCZSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588254 1080695607 /nfs/dbraw/zinc/69/56/07/1080695607.db2.gz HQXDOJKIKZAYRX-FPOVZHCZSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588254 1080695599 /nfs/dbraw/zinc/69/55/99/1080695599.db2.gz HQXDOJKIKZAYRX-FPOVZHCZSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588256 1080695986 /nfs/dbraw/zinc/69/59/86/1080695986.db2.gz HQXDOJKIKZAYRX-PZJWPPBQSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588256 1080695983 /nfs/dbraw/zinc/69/59/83/1080695983.db2.gz HQXDOJKIKZAYRX-PZJWPPBQSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588256 1080695977 /nfs/dbraw/zinc/69/59/77/1080695977.db2.gz HQXDOJKIKZAYRX-PZJWPPBQSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588258 1080695852 /nfs/dbraw/zinc/69/58/52/1080695852.db2.gz HQXDOJKIKZAYRX-TZIWHRDSSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588258 1080695849 /nfs/dbraw/zinc/69/58/49/1080695849.db2.gz HQXDOJKIKZAYRX-TZIWHRDSSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588258 1080695846 /nfs/dbraw/zinc/69/58/46/1080695846.db2.gz HQXDOJKIKZAYRX-TZIWHRDSSA-N 2 1 415.582 0.862 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672589944 1080696553 /nfs/dbraw/zinc/69/65/53/1080696553.db2.gz ADYKZRCGPDKEDZ-FXAWDEMLSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672589944 1080696547 /nfs/dbraw/zinc/69/65/47/1080696547.db2.gz ADYKZRCGPDKEDZ-FXAWDEMLSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672589945 1080696686 /nfs/dbraw/zinc/69/66/86/1080696686.db2.gz ADYKZRCGPDKEDZ-PXNSSMCTSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672589945 1080696679 /nfs/dbraw/zinc/69/66/79/1080696679.db2.gz ADYKZRCGPDKEDZ-PXNSSMCTSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672589946 1080696577 /nfs/dbraw/zinc/69/65/77/1080696577.db2.gz ADYKZRCGPDKEDZ-XLIONFOSSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672589946 1080696572 /nfs/dbraw/zinc/69/65/72/1080696572.db2.gz ADYKZRCGPDKEDZ-XLIONFOSSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672589947 1080696484 /nfs/dbraw/zinc/69/64/84/1080696484.db2.gz ADYKZRCGPDKEDZ-YLJYHZDGSA-N 2 1 418.538 0.613 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000672589947 1080696478 /nfs/dbraw/zinc/69/64/78/1080696478.db2.gz ADYKZRCGPDKEDZ-YLJYHZDGSA-N 2 1 418.538 0.613 20 0 HCADMP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000672594743 1080698129 /nfs/dbraw/zinc/69/81/29/1080698129.db2.gz WTVWMOMDMMCOOC-UHFFFAOYSA-N 2 1 407.534 0.646 20 0 HCADMP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1F ZINC000672595075 1080698027 /nfs/dbraw/zinc/69/80/27/1080698027.db2.gz QTWSHWPHGOSDLW-IBGZPJMESA-N 2 1 419.545 0.742 20 0 HCADMP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1F ZINC000672595076 1080697925 /nfs/dbraw/zinc/69/79/25/1080697925.db2.gz QTWSHWPHGOSDLW-LJQANCHMSA-N 2 1 419.545 0.742 20 0 HCADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596375 1080698524 /nfs/dbraw/zinc/69/85/24/1080698524.db2.gz FJPPSEKAUUWJCC-FQEVSTJZSA-N 2 1 403.571 0.719 20 0 HCADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596376 1080698656 /nfs/dbraw/zinc/69/86/56/1080698656.db2.gz FJPPSEKAUUWJCC-HXUWFJFHSA-N 2 1 403.571 0.719 20 0 HCADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596819 1080700628 /nfs/dbraw/zinc/70/06/28/1080700628.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000672596819 1080700621 /nfs/dbraw/zinc/70/06/21/1080700621.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000672596819 1080700608 /nfs/dbraw/zinc/70/06/08/1080700608.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596820 1080700229 /nfs/dbraw/zinc/70/02/29/1080700229.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000672596820 1080700215 /nfs/dbraw/zinc/70/02/15/1080700215.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000672596820 1080700207 /nfs/dbraw/zinc/70/02/07/1080700207.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596821 1080700568 /nfs/dbraw/zinc/70/05/68/1080700568.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 2 1 401.555 0.471 20 0 HCADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000672596821 1080700559 /nfs/dbraw/zinc/70/05/59/1080700559.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 2 1 401.555 0.471 20 0 HCADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000672596821 1080700552 /nfs/dbraw/zinc/70/05/52/1080700552.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 2 1 401.555 0.471 20 0 HCADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596822 1080700382 /nfs/dbraw/zinc/70/03/82/1080700382.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000672596822 1080700372 /nfs/dbraw/zinc/70/03/72/1080700372.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 2 1 401.555 0.471 20 0 HCADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000672596822 1080700364 /nfs/dbraw/zinc/70/03/64/1080700364.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 2 1 401.555 0.471 20 0 HCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000672596861 1080700019 /nfs/dbraw/zinc/70/00/19/1080700019.db2.gz USDZFVOXIRGSOU-FQEVSTJZSA-N 2 1 401.555 0.391 20 0 HCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000672596861 1080700011 /nfs/dbraw/zinc/70/00/11/1080700011.db2.gz USDZFVOXIRGSOU-FQEVSTJZSA-N 2 1 401.555 0.391 20 0 HCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000672596861 1080700006 /nfs/dbraw/zinc/70/00/06/1080700006.db2.gz USDZFVOXIRGSOU-FQEVSTJZSA-N 2 1 401.555 0.391 20 0 HCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000672596862 1080700157 /nfs/dbraw/zinc/70/01/57/1080700157.db2.gz USDZFVOXIRGSOU-HXUWFJFHSA-N 2 1 401.555 0.391 20 0 HCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000672596862 1080700150 /nfs/dbraw/zinc/70/01/50/1080700150.db2.gz USDZFVOXIRGSOU-HXUWFJFHSA-N 2 1 401.555 0.391 20 0 HCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000672596862 1080700141 /nfs/dbraw/zinc/70/01/41/1080700141.db2.gz USDZFVOXIRGSOU-HXUWFJFHSA-N 2 1 401.555 0.391 20 0 HCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000672596966 1080699574 /nfs/dbraw/zinc/69/95/74/1080699574.db2.gz PVSXJWGLAZXLPB-GPANFISMSA-N 2 1 419.492 0.270 20 0 HCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000672596967 1080699627 /nfs/dbraw/zinc/69/96/27/1080699627.db2.gz PVSXJWGLAZXLPB-UYSNPLJNSA-N 2 1 419.492 0.270 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672635496 1080713295 /nfs/dbraw/zinc/71/32/95/1080713295.db2.gz WXMOIBPQDJFELA-DLBZAZTESA-N 2 1 412.600 0.690 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672635496 1080713288 /nfs/dbraw/zinc/71/32/88/1080713288.db2.gz WXMOIBPQDJFELA-DLBZAZTESA-N 2 1 412.600 0.690 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672635497 1080713143 /nfs/dbraw/zinc/71/31/43/1080713143.db2.gz WXMOIBPQDJFELA-IAGOWNOFSA-N 2 1 412.600 0.690 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672635497 1080713136 /nfs/dbraw/zinc/71/31/36/1080713136.db2.gz WXMOIBPQDJFELA-IAGOWNOFSA-N 2 1 412.600 0.690 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672635498 1080713352 /nfs/dbraw/zinc/71/33/52/1080713352.db2.gz WXMOIBPQDJFELA-IRXDYDNUSA-N 2 1 412.600 0.690 20 0 HCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672635498 1080713347 /nfs/dbraw/zinc/71/33/47/1080713347.db2.gz WXMOIBPQDJFELA-IRXDYDNUSA-N 2 1 412.600 0.690 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672635499 1080713241 /nfs/dbraw/zinc/71/32/41/1080713241.db2.gz WXMOIBPQDJFELA-SJORKVTESA-N 2 1 412.600 0.690 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672635499 1080713238 /nfs/dbraw/zinc/71/32/38/1080713238.db2.gz WXMOIBPQDJFELA-SJORKVTESA-N 2 1 412.600 0.690 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637385 1080713718 /nfs/dbraw/zinc/71/37/18/1080713718.db2.gz GIDLGLGQIWQRAQ-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637385 1080713711 /nfs/dbraw/zinc/71/37/11/1080713711.db2.gz GIDLGLGQIWQRAQ-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637386 1080713893 /nfs/dbraw/zinc/71/38/93/1080713893.db2.gz GIDLGLGQIWQRAQ-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637386 1080713885 /nfs/dbraw/zinc/71/38/85/1080713885.db2.gz GIDLGLGQIWQRAQ-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637387 1080714514 /nfs/dbraw/zinc/71/45/14/1080714514.db2.gz GIDLGLGQIWQRAQ-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637387 1080714504 /nfs/dbraw/zinc/71/45/04/1080714504.db2.gz GIDLGLGQIWQRAQ-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637388 1080713827 /nfs/dbraw/zinc/71/38/27/1080713827.db2.gz GIDLGLGQIWQRAQ-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637388 1080713822 /nfs/dbraw/zinc/71/38/22/1080713822.db2.gz GIDLGLGQIWQRAQ-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714340 /nfs/dbraw/zinc/71/43/40/1080714340.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714333 /nfs/dbraw/zinc/71/43/33/1080714333.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714326 /nfs/dbraw/zinc/71/43/26/1080714326.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714322 /nfs/dbraw/zinc/71/43/22/1080714322.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 2 1 417.598 0.746 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714317 /nfs/dbraw/zinc/71/43/17/1080714317.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714454 /nfs/dbraw/zinc/71/44/54/1080714454.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714445 /nfs/dbraw/zinc/71/44/45/1080714445.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714437 /nfs/dbraw/zinc/71/44/37/1080714437.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714430 /nfs/dbraw/zinc/71/44/30/1080714430.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 2 1 417.598 0.746 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714422 /nfs/dbraw/zinc/71/44/22/1080714422.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714022 /nfs/dbraw/zinc/71/40/22/1080714022.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714014 /nfs/dbraw/zinc/71/40/14/1080714014.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714009 /nfs/dbraw/zinc/71/40/09/1080714009.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714001 /nfs/dbraw/zinc/71/40/01/1080714001.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 2 1 417.598 0.746 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080713996 /nfs/dbraw/zinc/71/39/96/1080713996.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714148 /nfs/dbraw/zinc/71/41/48/1080714148.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714140 /nfs/dbraw/zinc/71/41/40/1080714140.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714132 /nfs/dbraw/zinc/71/41/32/1080714132.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714126 /nfs/dbraw/zinc/71/41/26/1080714126.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 2 1 417.598 0.746 20 0 HCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714114 /nfs/dbraw/zinc/71/41/14/1080714114.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 2 1 417.598 0.746 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637603 1080715757 /nfs/dbraw/zinc/71/57/57/1080715757.db2.gz KOVIMIBOCCIVLW-CVEARBPZSA-N 2 1 418.517 0.200 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637604 1080715916 /nfs/dbraw/zinc/71/59/16/1080715916.db2.gz KOVIMIBOCCIVLW-HOTGVXAUSA-N 2 1 418.517 0.200 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637605 1080715532 /nfs/dbraw/zinc/71/55/32/1080715532.db2.gz KOVIMIBOCCIVLW-HZPDHXFCSA-N 2 1 418.517 0.200 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637606 1080715648 /nfs/dbraw/zinc/71/56/48/1080715648.db2.gz KOVIMIBOCCIVLW-JKSUJKDBSA-N 2 1 418.517 0.200 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637645 1080715962 /nfs/dbraw/zinc/71/59/62/1080715962.db2.gz LPALWHGNCPPOTR-GOSISDBHSA-N 2 1 419.595 0.677 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637646 1080715802 /nfs/dbraw/zinc/71/58/02/1080715802.db2.gz LPALWHGNCPPOTR-SFHVURJKSA-N 2 1 419.595 0.677 20 0 HCADMP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672637647 1080715615 /nfs/dbraw/zinc/71/56/15/1080715615.db2.gz LQELFWKLVFPMDT-INIZCTEOSA-N 2 1 423.583 0.711 20 0 HCADMP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672637648 1080716090 /nfs/dbraw/zinc/71/60/90/1080716090.db2.gz LQELFWKLVFPMDT-MRXNPFEDSA-N 2 1 423.583 0.711 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637659 1080715577 /nfs/dbraw/zinc/71/55/77/1080715577.db2.gz LUFIPIDTGWENQS-INIZCTEOSA-N 2 1 420.583 0.072 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637660 1080715858 /nfs/dbraw/zinc/71/58/58/1080715858.db2.gz LUFIPIDTGWENQS-MRXNPFEDSA-N 2 1 420.583 0.072 20 0 HCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000672638221 1080717556 /nfs/dbraw/zinc/71/75/56/1080717556.db2.gz QVYOSIAVKWDKOG-GOSISDBHSA-N 2 1 419.570 0.763 20 0 HCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000672638221 1080717550 /nfs/dbraw/zinc/71/75/50/1080717550.db2.gz QVYOSIAVKWDKOG-GOSISDBHSA-N 2 1 419.570 0.763 20 0 HCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672638223 1080718165 /nfs/dbraw/zinc/71/81/65/1080718165.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672638223 1080718154 /nfs/dbraw/zinc/71/81/54/1080718154.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672638223 1080718147 /nfs/dbraw/zinc/71/81/47/1080718147.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672638223 1080718137 /nfs/dbraw/zinc/71/81/37/1080718137.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638223 1080718121 /nfs/dbraw/zinc/71/81/21/1080718121.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 2 1 407.603 0.850 20 0 HCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000672638224 1080718085 /nfs/dbraw/zinc/71/80/85/1080718085.db2.gz QVYOSIAVKWDKOG-SFHVURJKSA-N 2 1 419.570 0.763 20 0 HCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000672638224 1080718081 /nfs/dbraw/zinc/71/80/81/1080718081.db2.gz QVYOSIAVKWDKOG-SFHVURJKSA-N 2 1 419.570 0.763 20 0 HCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672638226 1080717602 /nfs/dbraw/zinc/71/76/02/1080717602.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672638226 1080717596 /nfs/dbraw/zinc/71/75/96/1080717596.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672638226 1080717587 /nfs/dbraw/zinc/71/75/87/1080717587.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672638226 1080717582 /nfs/dbraw/zinc/71/75/82/1080717582.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 2 1 407.603 0.850 20 0 HCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638226 1080717579 /nfs/dbraw/zinc/71/75/79/1080717579.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 2 1 407.603 0.850 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638443 1080715719 /nfs/dbraw/zinc/71/57/19/1080715719.db2.gz PUEURXDFAIWAEY-AZUAARDMSA-N 2 1 400.523 0.871 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638575 1080721316 /nfs/dbraw/zinc/72/13/16/1080721316.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638575 1080721297 /nfs/dbraw/zinc/72/12/97/1080721297.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638575 1080721282 /nfs/dbraw/zinc/72/12/82/1080721282.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638575 1080721275 /nfs/dbraw/zinc/72/12/75/1080721275.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638575 1080721263 /nfs/dbraw/zinc/72/12/63/1080721263.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638576 1080721770 /nfs/dbraw/zinc/72/17/70/1080721770.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638576 1080721760 /nfs/dbraw/zinc/72/17/60/1080721760.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638576 1080721747 /nfs/dbraw/zinc/72/17/47/1080721747.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638576 1080721734 /nfs/dbraw/zinc/72/17/34/1080721734.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638576 1080721721 /nfs/dbraw/zinc/72/17/21/1080721721.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638577 1080721206 /nfs/dbraw/zinc/72/12/06/1080721206.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638577 1080721195 /nfs/dbraw/zinc/72/11/95/1080721195.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638577 1080721184 /nfs/dbraw/zinc/72/11/84/1080721184.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638577 1080721172 /nfs/dbraw/zinc/72/11/72/1080721172.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638577 1080721156 /nfs/dbraw/zinc/72/11/56/1080721156.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638578 1080721641 /nfs/dbraw/zinc/72/16/41/1080721641.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C2)CC1 ZINC000672638578 1080721630 /nfs/dbraw/zinc/72/16/30/1080721630.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638578 1080721621 /nfs/dbraw/zinc/72/16/21/1080721621.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)C2)CC1 ZINC000672638578 1080721605 /nfs/dbraw/zinc/72/16/05/1080721605.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638578 1080721595 /nfs/dbraw/zinc/72/15/95/1080721595.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 2 1 405.587 0.461 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000672638663 1080720613 /nfs/dbraw/zinc/72/06/13/1080720613.db2.gz GYJHOQPOMCPCKA-FQEVSTJZSA-N 2 1 415.582 0.692 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000672638663 1080720603 /nfs/dbraw/zinc/72/06/03/1080720603.db2.gz GYJHOQPOMCPCKA-FQEVSTJZSA-N 2 1 415.582 0.692 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000672638664 1080723195 /nfs/dbraw/zinc/72/31/95/1080723195.db2.gz GYJHOQPOMCPCKA-HXUWFJFHSA-N 2 1 415.582 0.692 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000672638664 1080723185 /nfs/dbraw/zinc/72/31/85/1080723185.db2.gz GYJHOQPOMCPCKA-HXUWFJFHSA-N 2 1 415.582 0.692 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000672639068 1080725590 /nfs/dbraw/zinc/72/55/90/1080725590.db2.gz YMYASXSDZMDABC-CEWLAPEOSA-N 2 1 413.566 0.833 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000672639069 1080726047 /nfs/dbraw/zinc/72/60/47/1080726047.db2.gz YMYASXSDZMDABC-JBACZVJFSA-N 2 1 413.566 0.833 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000672639070 1080725975 /nfs/dbraw/zinc/72/59/75/1080725975.db2.gz YMYASXSDZMDABC-SESVDKBCSA-N 2 1 413.566 0.833 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000672639071 1080725638 /nfs/dbraw/zinc/72/56/38/1080725638.db2.gz YMYASXSDZMDABC-TYPHKJRUSA-N 2 1 413.566 0.833 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639349 1080723679 /nfs/dbraw/zinc/72/36/79/1080723679.db2.gz BLNXBGFHIOMNLO-KRWDZBQOSA-N 2 1 400.527 0.015 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639349 1080723666 /nfs/dbraw/zinc/72/36/66/1080723666.db2.gz BLNXBGFHIOMNLO-KRWDZBQOSA-N 2 1 400.527 0.015 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639352 1080722625 /nfs/dbraw/zinc/72/26/25/1080722625.db2.gz BLNXBGFHIOMNLO-QGZVFWFLSA-N 2 1 400.527 0.015 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639352 1080722609 /nfs/dbraw/zinc/72/26/09/1080722609.db2.gz BLNXBGFHIOMNLO-QGZVFWFLSA-N 2 1 400.527 0.015 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)C2)CC1 ZINC000672639600 1080734568 /nfs/dbraw/zinc/73/45/68/1080734568.db2.gz CTCIXWSYBFXRAU-IBGZPJMESA-N 2 1 407.603 0.852 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)C2)CC1 ZINC000672639600 1080734554 /nfs/dbraw/zinc/73/45/54/1080734554.db2.gz CTCIXWSYBFXRAU-IBGZPJMESA-N 2 1 407.603 0.852 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)C2)CC1 ZINC000672639602 1080734312 /nfs/dbraw/zinc/73/43/12/1080734312.db2.gz CTCIXWSYBFXRAU-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)C2)CC1 ZINC000672639602 1080734300 /nfs/dbraw/zinc/73/43/00/1080734300.db2.gz CTCIXWSYBFXRAU-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733817 /nfs/dbraw/zinc/73/38/17/1080733817.db2.gz DBICOHWJDAESRN-GOSISDBHSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733804 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/nfs/dbraw/zinc/74/58/31/1080745831.db2.gz NGUPHZGAUQEXPM-AZUAARDMSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643038 1080745824 /nfs/dbraw/zinc/74/58/24/1080745824.db2.gz NGUPHZGAUQEXPM-AZUAARDMSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643039 1080746331 /nfs/dbraw/zinc/74/63/31/1080746331.db2.gz NGUPHZGAUQEXPM-ICSRJNTNSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643039 1080746322 /nfs/dbraw/zinc/74/63/22/1080746322.db2.gz NGUPHZGAUQEXPM-ICSRJNTNSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643040 1080746253 /nfs/dbraw/zinc/74/62/53/1080746253.db2.gz NGUPHZGAUQEXPM-QUCCMNQESA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643040 1080746246 /nfs/dbraw/zinc/74/62/46/1080746246.db2.gz NGUPHZGAUQEXPM-QUCCMNQESA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643041 1080745500 /nfs/dbraw/zinc/74/55/00/1080745500.db2.gz NGUPHZGAUQEXPM-UYAOXDASSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643041 1080745491 /nfs/dbraw/zinc/74/54/91/1080745491.db2.gz NGUPHZGAUQEXPM-UYAOXDASSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643176 1080744339 /nfs/dbraw/zinc/74/43/39/1080744339.db2.gz SSHLGOVAMLKHQK-MOPGFXCFSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643176 1080744330 /nfs/dbraw/zinc/74/43/30/1080744330.db2.gz SSHLGOVAMLKHQK-MOPGFXCFSA-N 2 1 405.587 0.748 20 0 HCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643177 1080744856 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/nfs/dbraw/zinc/74/49/94/1080744994.db2.gz SSHLGOVAMLKHQK-RTBURBONSA-N 2 1 405.587 0.748 20 0 HCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672643180 1080744918 /nfs/dbraw/zinc/74/49/18/1080744918.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 2 1 407.603 0.755 20 0 HCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672643180 1080744912 /nfs/dbraw/zinc/74/49/12/1080744912.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 2 1 407.603 0.755 20 0 HCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672643180 1080744902 /nfs/dbraw/zinc/74/49/02/1080744902.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 2 1 407.603 0.755 20 0 HCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672643180 1080744894 /nfs/dbraw/zinc/74/48/94/1080744894.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 2 1 407.603 0.755 20 0 HCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643180 1080744886 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/nfs/dbraw/zinc/75/31/24/1080753124.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672655105 1080753116 /nfs/dbraw/zinc/75/31/16/1080753116.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672655105 1080753107 /nfs/dbraw/zinc/75/31/07/1080753107.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672655105 1080753097 /nfs/dbraw/zinc/75/30/97/1080753097.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655105 1080753086 /nfs/dbraw/zinc/75/30/86/1080753086.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672655106 1080752968 /nfs/dbraw/zinc/75/29/68/1080752968.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672655106 1080752961 /nfs/dbraw/zinc/75/29/61/1080752961.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672655106 1080752954 /nfs/dbraw/zinc/75/29/54/1080752954.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672655106 1080752947 /nfs/dbraw/zinc/75/29/47/1080752947.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655106 1080752940 /nfs/dbraw/zinc/75/29/40/1080752940.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672655107 1080753340 /nfs/dbraw/zinc/75/33/40/1080753340.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672655107 1080753335 /nfs/dbraw/zinc/75/33/35/1080753335.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672655107 1080753327 /nfs/dbraw/zinc/75/33/27/1080753327.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672655107 1080753317 /nfs/dbraw/zinc/75/33/17/1080753317.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655107 1080753307 /nfs/dbraw/zinc/75/33/07/1080753307.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000672689931 1080758838 /nfs/dbraw/zinc/75/88/38/1080758838.db2.gz JOCTWPAIILKMSI-IBGZPJMESA-N 2 1 421.586 0.380 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000672689932 1080759312 /nfs/dbraw/zinc/75/93/12/1080759312.db2.gz JOCTWPAIILKMSI-LJQANCHMSA-N 2 1 421.586 0.380 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672692312 1080759967 /nfs/dbraw/zinc/75/99/67/1080759967.db2.gz APMUZIHQYMRLSM-IBGZPJMESA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672692315 1080760003 /nfs/dbraw/zinc/76/00/03/1080760003.db2.gz APMUZIHQYMRLSM-LJQANCHMSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000672692933 1080760266 /nfs/dbraw/zinc/76/02/66/1080760266.db2.gz MPRWIFLAEOENEA-GURQWTFNSA-N 2 1 405.587 0.746 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000672692934 1080760239 /nfs/dbraw/zinc/76/02/39/1080760239.db2.gz MPRWIFLAEOENEA-WRURNZQNSA-N 2 1 405.587 0.746 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672695074 1080757405 /nfs/dbraw/zinc/75/74/05/1080757405.db2.gz IGSMYBIPWDCZPJ-PMACEKPBSA-N 2 1 402.539 0.860 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672695253 1080757229 /nfs/dbraw/zinc/75/72/29/1080757229.db2.gz IGSMYBIPWDCZPJ-UXHICEINSA-N 2 1 402.539 0.860 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672695254 1080757324 /nfs/dbraw/zinc/75/73/24/1080757324.db2.gz IGSMYBIPWDCZPJ-VQTJNVASSA-N 2 1 402.539 0.860 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672695255 1080757452 /nfs/dbraw/zinc/75/74/52/1080757452.db2.gz IGSMYBIPWDCZPJ-WOJBJXKFSA-N 2 1 402.539 0.860 20 0 HCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698094 1080762202 /nfs/dbraw/zinc/76/22/02/1080762202.db2.gz JMRWSVYRIFSSIL-HSALFYBXSA-N 2 1 407.603 0.994 20 0 HCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698097 1080762343 /nfs/dbraw/zinc/76/23/43/1080762343.db2.gz JMRWSVYRIFSSIL-ZCNNSNEGSA-N 2 1 407.603 0.994 20 0 HCADMP COCC[NH+](CCOC)C1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000672708209 1080760983 /nfs/dbraw/zinc/76/09/83/1080760983.db2.gz JSMBWDORQPUZOV-UHFFFAOYSA-N 2 1 413.607 0.781 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C2 ZINC000672708504 1080761111 /nfs/dbraw/zinc/76/11/11/1080761111.db2.gz TWRQBPHNXJGHIX-AYHJJNSGSA-N 2 1 408.591 0.395 20 0 HCADMP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cn2)CC1 ZINC000672725147 1080769579 /nfs/dbraw/zinc/76/95/79/1080769579.db2.gz ZUDAMWFGDQXGBR-UHFFFAOYSA-N 2 1 404.559 0.822 20 0 HCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000672819818 1080789367 /nfs/dbraw/zinc/78/93/67/1080789367.db2.gz IXBZIZKHJOCZRG-UHFFFAOYSA-N 2 1 405.543 0.576 20 0 HCADMP CC1(C)CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1CCO ZINC000672834445 1080791471 /nfs/dbraw/zinc/79/14/71/1080791471.db2.gz FWDOANPGNOCGSP-UHFFFAOYSA-N 2 1 419.574 0.477 20 0 HCADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854510 1080800051 /nfs/dbraw/zinc/80/00/51/1080800051.db2.gz IHIGUXKNTHOJBO-FQEVSTJZSA-N 2 1 415.582 0.862 20 0 HCADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854510 1080800047 /nfs/dbraw/zinc/80/00/47/1080800047.db2.gz IHIGUXKNTHOJBO-FQEVSTJZSA-N 2 1 415.582 0.862 20 0 HCADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000672854510 1080800038 /nfs/dbraw/zinc/80/00/38/1080800038.db2.gz IHIGUXKNTHOJBO-FQEVSTJZSA-N 2 1 415.582 0.862 20 0 HCADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854511 1080799836 /nfs/dbraw/zinc/79/98/36/1080799836.db2.gz IHIGUXKNTHOJBO-HXUWFJFHSA-N 2 1 415.582 0.862 20 0 HCADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854511 1080799826 /nfs/dbraw/zinc/79/98/26/1080799826.db2.gz IHIGUXKNTHOJBO-HXUWFJFHSA-N 2 1 415.582 0.862 20 0 HCADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000672854511 1080799818 /nfs/dbraw/zinc/79/98/18/1080799818.db2.gz IHIGUXKNTHOJBO-HXUWFJFHSA-N 2 1 415.582 0.862 20 0 HCADMP Cc1ccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(N2CCCC2)[nH+]1 ZINC000672854774 1080800137 /nfs/dbraw/zinc/80/01/37/1080800137.db2.gz AQEMUGWXEUTIKU-UHFFFAOYSA-N 2 1 416.570 0.749 20 0 HCADMP Cc1ccc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(N2CCCC2)[nH+]1 ZINC000672854774 1080800129 /nfs/dbraw/zinc/80/01/29/1080800129.db2.gz AQEMUGWXEUTIKU-UHFFFAOYSA-N 2 1 416.570 0.749 20 0 HCADMP C[NH+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000672876447 1080801859 /nfs/dbraw/zinc/80/18/59/1080801859.db2.gz FTXSNOWVZWBIQD-FQEVSTJZSA-N 2 1 401.555 0.919 20 0 HCADMP C[NH+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672876447 1080801856 /nfs/dbraw/zinc/80/18/56/1080801856.db2.gz FTXSNOWVZWBIQD-FQEVSTJZSA-N 2 1 401.555 0.919 20 0 HCADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000672876447 1080801853 /nfs/dbraw/zinc/80/18/53/1080801853.db2.gz FTXSNOWVZWBIQD-FQEVSTJZSA-N 2 1 401.555 0.919 20 0 HCADMP C[NH+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000672876448 1080801815 /nfs/dbraw/zinc/80/18/15/1080801815.db2.gz FTXSNOWVZWBIQD-HXUWFJFHSA-N 2 1 401.555 0.919 20 0 HCADMP C[NH+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000672876448 1080801809 /nfs/dbraw/zinc/80/18/09/1080801809.db2.gz FTXSNOWVZWBIQD-HXUWFJFHSA-N 2 1 401.555 0.919 20 0 HCADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000672876448 1080801805 /nfs/dbraw/zinc/80/18/05/1080801805.db2.gz FTXSNOWVZWBIQD-HXUWFJFHSA-N 2 1 401.555 0.919 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801288 /nfs/dbraw/zinc/80/12/88/1080801288.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801284 /nfs/dbraw/zinc/80/12/84/1080801284.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801281 /nfs/dbraw/zinc/80/12/81/1080801281.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801278 /nfs/dbraw/zinc/80/12/78/1080801278.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801409 /nfs/dbraw/zinc/80/14/09/1080801409.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801405 /nfs/dbraw/zinc/80/14/05/1080801405.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801404 /nfs/dbraw/zinc/80/14/04/1080801404.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801401 /nfs/dbraw/zinc/80/14/01/1080801401.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801160 /nfs/dbraw/zinc/80/11/60/1080801160.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801158 /nfs/dbraw/zinc/80/11/58/1080801158.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801151 /nfs/dbraw/zinc/80/11/51/1080801151.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801147 /nfs/dbraw/zinc/80/11/47/1080801147.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801349 /nfs/dbraw/zinc/80/13/49/1080801349.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 2 1 415.582 0.961 20 0 HCADMP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801346 /nfs/dbraw/zinc/80/13/46/1080801346.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801341 /nfs/dbraw/zinc/80/13/41/1080801341.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 2 1 415.582 0.961 20 0 HCADMP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801338 /nfs/dbraw/zinc/80/13/38/1080801338.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 2 1 415.582 0.961 20 0 HCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672926916 1080823544 /nfs/dbraw/zinc/82/35/44/1080823544.db2.gz VGKCHMSZPLXZHD-UHFFFAOYSA-N 2 1 411.591 0.711 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000673018814 1080851093 /nfs/dbraw/zinc/85/10/93/1080851093.db2.gz WDBCTVIXTUMVOR-IZBJGVDFSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000673018814 1080851091 /nfs/dbraw/zinc/85/10/91/1080851091.db2.gz WDBCTVIXTUMVOR-IZBJGVDFSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673018814 1080851088 /nfs/dbraw/zinc/85/10/88/1080851088.db2.gz WDBCTVIXTUMVOR-IZBJGVDFSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673018814 1080851085 /nfs/dbraw/zinc/85/10/85/1080851085.db2.gz WDBCTVIXTUMVOR-IZBJGVDFSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673018815 1080851027 /nfs/dbraw/zinc/85/10/27/1080851027.db2.gz WDBCTVIXTUMVOR-JYBIWHBTSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000673018815 1080851022 /nfs/dbraw/zinc/85/10/22/1080851022.db2.gz WDBCTVIXTUMVOR-JYBIWHBTSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673018815 1080851019 /nfs/dbraw/zinc/85/10/19/1080851019.db2.gz WDBCTVIXTUMVOR-JYBIWHBTSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673018815 1080851015 /nfs/dbraw/zinc/85/10/15/1080851015.db2.gz WDBCTVIXTUMVOR-JYBIWHBTSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000673018816 1080851075 /nfs/dbraw/zinc/85/10/75/1080851075.db2.gz WDBCTVIXTUMVOR-LCLWPZTBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000673018816 1080851072 /nfs/dbraw/zinc/85/10/72/1080851072.db2.gz WDBCTVIXTUMVOR-LCLWPZTBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673018816 1080851071 /nfs/dbraw/zinc/85/10/71/1080851071.db2.gz WDBCTVIXTUMVOR-LCLWPZTBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000673018816 1080851067 /nfs/dbraw/zinc/85/10/67/1080851067.db2.gz WDBCTVIXTUMVOR-LCLWPZTBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673018817 1080851159 /nfs/dbraw/zinc/85/11/59/1080851159.db2.gz WDBCTVIXTUMVOR-UMGGQSCQSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000673018817 1080851155 /nfs/dbraw/zinc/85/11/55/1080851155.db2.gz WDBCTVIXTUMVOR-UMGGQSCQSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673018817 1080851152 /nfs/dbraw/zinc/85/11/52/1080851152.db2.gz WDBCTVIXTUMVOR-UMGGQSCQSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000673018817 1080851150 /nfs/dbraw/zinc/85/11/50/1080851150.db2.gz WDBCTVIXTUMVOR-UMGGQSCQSA-N 2 1 402.539 0.849 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673122897 1080890742 /nfs/dbraw/zinc/89/07/42/1080890742.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673122897 1080890737 /nfs/dbraw/zinc/89/07/37/1080890737.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673122897 1080890735 /nfs/dbraw/zinc/89/07/35/1080890735.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673122897 1080890734 /nfs/dbraw/zinc/89/07/34/1080890734.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673122897 1080890732 /nfs/dbraw/zinc/89/07/32/1080890732.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673122898 1080890882 /nfs/dbraw/zinc/89/08/82/1080890882.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673122898 1080890879 /nfs/dbraw/zinc/89/08/79/1080890879.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673122898 1080890877 /nfs/dbraw/zinc/89/08/77/1080890877.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673122898 1080890876 /nfs/dbraw/zinc/89/08/76/1080890876.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 2 1 405.587 0.745 20 0 HCADMP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673122898 1080890874 /nfs/dbraw/zinc/89/08/74/1080890874.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 2 1 405.587 0.745 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000673158579 1080898424 /nfs/dbraw/zinc/89/84/24/1080898424.db2.gz YXODJNMYXLFNQE-NXEWRWPSSA-N 2 1 420.602 0.491 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000673158579 1080898420 /nfs/dbraw/zinc/89/84/20/1080898420.db2.gz YXODJNMYXLFNQE-NXEWRWPSSA-N 2 1 420.602 0.491 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@H]3CCC[NH+](C)C3)CC1)C2 ZINC000673158579 1080898417 /nfs/dbraw/zinc/89/84/17/1080898417.db2.gz YXODJNMYXLFNQE-NXEWRWPSSA-N 2 1 420.602 0.491 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000673158580 1080898443 /nfs/dbraw/zinc/89/84/43/1080898443.db2.gz YXODJNMYXLFNQE-RAFMOHDBSA-N 2 1 420.602 0.491 20 0 HCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000673158580 1080898439 /nfs/dbraw/zinc/89/84/39/1080898439.db2.gz YXODJNMYXLFNQE-RAFMOHDBSA-N 2 1 420.602 0.491 20 0 HCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@@H]3CCC[NH+](C)C3)CC1)C2 ZINC000673158580 1080898438 /nfs/dbraw/zinc/89/84/38/1080898438.db2.gz YXODJNMYXLFNQE-RAFMOHDBSA-N 2 1 420.602 0.491 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174203 1080899430 /nfs/dbraw/zinc/89/94/30/1080899430.db2.gz NMDDMBLWPYJBIM-AZUAARDMSA-N 3 1 403.571 0.575 20 0 HCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174204 1080899425 /nfs/dbraw/zinc/89/94/25/1080899425.db2.gz NMDDMBLWPYJBIM-ICSRJNTNSA-N 3 1 403.571 0.575 20 0 HCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174205 1080899348 /nfs/dbraw/zinc/89/93/48/1080899348.db2.gz NMDDMBLWPYJBIM-QUCCMNQESA-N 3 1 403.571 0.575 20 0 HCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174206 1080899320 /nfs/dbraw/zinc/89/93/20/1080899320.db2.gz NMDDMBLWPYJBIM-UYAOXDASSA-N 3 1 403.571 0.575 20 0 HCADMP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673178677 1080910658 /nfs/dbraw/zinc/91/06/58/1080910658.db2.gz TWRRMLGNSBWYAN-SKINQDTJSA-N 2 1 405.587 0.746 20 0 HCADMP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673178677 1080910635 /nfs/dbraw/zinc/91/06/35/1080910635.db2.gz TWRRMLGNSBWYAN-SKINQDTJSA-N 2 1 405.587 0.746 20 0 HCADMP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673178678 1080911560 /nfs/dbraw/zinc/91/15/60/1080911560.db2.gz TWRRMLGNSBWYAN-SYYJFZTOSA-N 2 1 405.587 0.746 20 0 HCADMP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673178678 1080911550 /nfs/dbraw/zinc/91/15/50/1080911550.db2.gz TWRRMLGNSBWYAN-SYYJFZTOSA-N 2 1 405.587 0.746 20 0 HCADMP Cc1ccc(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(N2CCCC2)[nH+]1 ZINC000673256423 1080951066 /nfs/dbraw/zinc/95/10/66/1080951066.db2.gz WSTNIDWQKNBQTG-UHFFFAOYSA-N 2 1 417.554 0.912 20 0 HCADMP Cc1ccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c(N2CCCC2)[nH+]1 ZINC000673256423 1080951057 /nfs/dbraw/zinc/95/10/57/1080951057.db2.gz WSTNIDWQKNBQTG-UHFFFAOYSA-N 2 1 417.554 0.912 20 0 HCADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673268824 1080962275 /nfs/dbraw/zinc/96/22/75/1080962275.db2.gz KOOXITMVSSYHMK-IBGZPJMESA-N 2 1 415.538 0.595 20 0 HCADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673268825 1080961611 /nfs/dbraw/zinc/96/16/11/1080961611.db2.gz KOOXITMVSSYHMK-LJQANCHMSA-N 2 1 415.538 0.595 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673274911 1080960433 /nfs/dbraw/zinc/96/04/33/1080960433.db2.gz CQDNKTFUNQCKPZ-IBGZPJMESA-N 2 1 407.603 0.852 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673274911 1080960413 /nfs/dbraw/zinc/96/04/13/1080960413.db2.gz CQDNKTFUNQCKPZ-IBGZPJMESA-N 3 1 407.603 0.852 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673274912 1080960558 /nfs/dbraw/zinc/96/05/58/1080960558.db2.gz CQDNKTFUNQCKPZ-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673274912 1080960537 /nfs/dbraw/zinc/96/05/37/1080960537.db2.gz CQDNKTFUNQCKPZ-LJQANCHMSA-N 3 1 407.603 0.852 20 0 HCADMP C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307605 1080991952 /nfs/dbraw/zinc/99/19/52/1080991952.db2.gz KWHHRGWWSSVIMV-AZUAARDMSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307605 1080991945 /nfs/dbraw/zinc/99/19/45/1080991945.db2.gz KWHHRGWWSSVIMV-AZUAARDMSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307606 1080991781 /nfs/dbraw/zinc/99/17/81/1080991781.db2.gz KWHHRGWWSSVIMV-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307606 1080991774 /nfs/dbraw/zinc/99/17/74/1080991774.db2.gz KWHHRGWWSSVIMV-ICSRJNTNSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307607 1080991470 /nfs/dbraw/zinc/99/14/70/1080991470.db2.gz KWHHRGWWSSVIMV-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP C[C@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307607 1080991452 /nfs/dbraw/zinc/99/14/52/1080991452.db2.gz KWHHRGWWSSVIMV-QUCCMNQESA-N 2 1 407.603 0.994 20 0 HCADMP C[C@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307608 1080991868 /nfs/dbraw/zinc/99/18/68/1080991868.db2.gz KWHHRGWWSSVIMV-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000673307608 1080991856 /nfs/dbraw/zinc/99/18/56/1080991856.db2.gz KWHHRGWWSSVIMV-UYAOXDASSA-N 2 1 407.603 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673330273 1081004720 /nfs/dbraw/zinc/00/47/20/1081004720.db2.gz FKKUFFHIEKEXIH-JXFKEZNVSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673330274 1081004666 /nfs/dbraw/zinc/00/46/66/1081004666.db2.gz FKKUFFHIEKEXIH-OXJNMPFZSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673330275 1081004515 /nfs/dbraw/zinc/00/45/15/1081004515.db2.gz FKKUFFHIEKEXIH-OXQOHEQNSA-N 2 1 418.538 0.095 20 0 HCADMP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673330276 1081004607 /nfs/dbraw/zinc/00/46/07/1081004607.db2.gz FKKUFFHIEKEXIH-UZLBHIALSA-N 2 1 418.538 0.095 20 0 HCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673336966 1081010505 /nfs/dbraw/zinc/01/05/05/1081010505.db2.gz YJRGVBXNXWZKGU-UHFFFAOYSA-N 2 1 409.575 0.237 20 0 HCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673336966 1081010499 /nfs/dbraw/zinc/01/04/99/1081010499.db2.gz YJRGVBXNXWZKGU-UHFFFAOYSA-N 2 1 409.575 0.237 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673340151 1081016409 /nfs/dbraw/zinc/01/64/09/1081016409.db2.gz VGONOTJTSJJQRT-DBVUQKKJSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000673340151 1081016401 /nfs/dbraw/zinc/01/64/01/1081016401.db2.gz VGONOTJTSJJQRT-DBVUQKKJSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673340151 1081016391 /nfs/dbraw/zinc/01/63/91/1081016391.db2.gz VGONOTJTSJJQRT-DBVUQKKJSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673340151 1081016385 /nfs/dbraw/zinc/01/63/85/1081016385.db2.gz VGONOTJTSJJQRT-DBVUQKKJSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000673340154 1081016071 /nfs/dbraw/zinc/01/60/71/1081016071.db2.gz VGONOTJTSJJQRT-FFZOFVMBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000673340154 1081016061 /nfs/dbraw/zinc/01/60/61/1081016061.db2.gz VGONOTJTSJJQRT-FFZOFVMBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000673340154 1081016054 /nfs/dbraw/zinc/01/60/54/1081016054.db2.gz VGONOTJTSJJQRT-FFZOFVMBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000673340154 1081016046 /nfs/dbraw/zinc/01/60/46/1081016046.db2.gz VGONOTJTSJJQRT-FFZOFVMBSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000673340158 1081016296 /nfs/dbraw/zinc/01/62/96/1081016296.db2.gz VGONOTJTSJJQRT-PWIZWCRZSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000673340158 1081016288 /nfs/dbraw/zinc/01/62/88/1081016288.db2.gz VGONOTJTSJJQRT-PWIZWCRZSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000673340158 1081016278 /nfs/dbraw/zinc/01/62/78/1081016278.db2.gz VGONOTJTSJJQRT-PWIZWCRZSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000673340158 1081016263 /nfs/dbraw/zinc/01/62/63/1081016263.db2.gz VGONOTJTSJJQRT-PWIZWCRZSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673340162 1081016159 /nfs/dbraw/zinc/01/61/59/1081016159.db2.gz VGONOTJTSJJQRT-VDGAXYAQSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000673340162 1081016151 /nfs/dbraw/zinc/01/61/51/1081016151.db2.gz VGONOTJTSJJQRT-VDGAXYAQSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673340162 1081016143 /nfs/dbraw/zinc/01/61/43/1081016143.db2.gz VGONOTJTSJJQRT-VDGAXYAQSA-N 2 1 402.539 0.849 20 0 HCADMP C[C@H](NC(=O)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000673340162 1081016135 /nfs/dbraw/zinc/01/61/35/1081016135.db2.gz VGONOTJTSJJQRT-VDGAXYAQSA-N 2 1 402.539 0.849 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348623 1081025586 /nfs/dbraw/zinc/02/55/86/1081025586.db2.gz XGCHFLHYZIMZIG-FQEVSTJZSA-N 2 1 419.545 0.612 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348623 1081025578 /nfs/dbraw/zinc/02/55/78/1081025578.db2.gz XGCHFLHYZIMZIG-FQEVSTJZSA-N 2 1 419.545 0.612 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348623 1081025572 /nfs/dbraw/zinc/02/55/72/1081025572.db2.gz XGCHFLHYZIMZIG-FQEVSTJZSA-N 2 1 419.545 0.612 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348624 1081025646 /nfs/dbraw/zinc/02/56/46/1081025646.db2.gz XGCHFLHYZIMZIG-HXUWFJFHSA-N 2 1 419.545 0.612 20 0 HCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348624 1081025637 /nfs/dbraw/zinc/02/56/37/1081025637.db2.gz XGCHFLHYZIMZIG-HXUWFJFHSA-N 2 1 419.545 0.612 20 0 HCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348624 1081025629 /nfs/dbraw/zinc/02/56/29/1081025629.db2.gz XGCHFLHYZIMZIG-HXUWFJFHSA-N 2 1 419.545 0.612 20 0 HCADMP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673377520 1081041738 /nfs/dbraw/zinc/04/17/38/1081041738.db2.gz ZOCWNWUTTQEKJM-IBGZPJMESA-N 2 1 407.603 0.852 20 0 HCADMP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673377520 1081041733 /nfs/dbraw/zinc/04/17/33/1081041733.db2.gz ZOCWNWUTTQEKJM-IBGZPJMESA-N 2 1 407.603 0.852 20 0 HCADMP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673377523 1081041678 /nfs/dbraw/zinc/04/16/78/1081041678.db2.gz ZOCWNWUTTQEKJM-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673377523 1081041672 /nfs/dbraw/zinc/04/16/72/1081041672.db2.gz ZOCWNWUTTQEKJM-LJQANCHMSA-N 2 1 407.603 0.852 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673423825 1081075740 /nfs/dbraw/zinc/07/57/40/1081075740.db2.gz BJHMHUNBXLHQOJ-NRFANRHFSA-N 2 1 423.517 0.613 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673423826 1081075855 /nfs/dbraw/zinc/07/58/55/1081075855.db2.gz BJHMHUNBXLHQOJ-OAQYLSRUSA-N 2 1 423.517 0.613 20 0 HCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000673423892 1081075035 /nfs/dbraw/zinc/07/50/35/1081075035.db2.gz STWMCYBXOFPYLR-FQEVSTJZSA-N 2 1 414.550 0.956 20 0 HCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000673423893 1081075328 /nfs/dbraw/zinc/07/53/28/1081075328.db2.gz STWMCYBXOFPYLR-HXUWFJFHSA-N 2 1 414.550 0.956 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000673423943 1081075078 /nfs/dbraw/zinc/07/50/78/1081075078.db2.gz DBPQLWJZIQGHMP-BPAFIMBUSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000673423943 1081075067 /nfs/dbraw/zinc/07/50/67/1081075067.db2.gz DBPQLWJZIQGHMP-BPAFIMBUSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000673423943 1081075057 /nfs/dbraw/zinc/07/50/57/1081075057.db2.gz DBPQLWJZIQGHMP-BPAFIMBUSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000673423944 1081075159 /nfs/dbraw/zinc/07/51/59/1081075159.db2.gz DBPQLWJZIQGHMP-MOXGXCLJSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000673423944 1081075150 /nfs/dbraw/zinc/07/51/50/1081075150.db2.gz DBPQLWJZIQGHMP-MOXGXCLJSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000673423944 1081075142 /nfs/dbraw/zinc/07/51/42/1081075142.db2.gz DBPQLWJZIQGHMP-MOXGXCLJSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000673423945 1081075819 /nfs/dbraw/zinc/07/58/19/1081075819.db2.gz DBPQLWJZIQGHMP-XFQXTVEOSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[NH+]1C1CC1 ZINC000673423945 1081075808 /nfs/dbraw/zinc/07/58/08/1081075808.db2.gz DBPQLWJZIQGHMP-XFQXTVEOSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000673423945 1081075798 /nfs/dbraw/zinc/07/57/98/1081075798.db2.gz DBPQLWJZIQGHMP-XFQXTVEOSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000673423946 1081075708 /nfs/dbraw/zinc/07/57/08/1081075708.db2.gz DBPQLWJZIQGHMP-ZTNFWEORSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[NH+]1C1CC1 ZINC000673423946 1081075699 /nfs/dbraw/zinc/07/56/99/1081075699.db2.gz DBPQLWJZIQGHMP-ZTNFWEORSA-N 2 1 400.523 0.611 20 0 HCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000673423946 1081075690 /nfs/dbraw/zinc/07/56/90/1081075690.db2.gz DBPQLWJZIQGHMP-ZTNFWEORSA-N 2 1 400.523 0.611 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673424237 1081074726 /nfs/dbraw/zinc/07/47/26/1081074726.db2.gz LYEKOACOTMEJFR-LEWJYISDSA-N 2 1 414.550 0.956 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673424238 1081074607 /nfs/dbraw/zinc/07/46/07/1081074607.db2.gz LYEKOACOTMEJFR-NHCUHLMSSA-N 2 1 414.550 0.956 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673424239 1081074788 /nfs/dbraw/zinc/07/47/88/1081074788.db2.gz LYEKOACOTMEJFR-RTWAWAEBSA-N 2 1 414.550 0.956 20 0 HCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673424240 1081074745 /nfs/dbraw/zinc/07/47/45/1081074745.db2.gz LYEKOACOTMEJFR-SFTDATJTSA-N 2 1 414.550 0.956 20 0 HCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000673424247 1081074704 /nfs/dbraw/zinc/07/47/04/1081074704.db2.gz NMWICAPDIHFZAH-AHRSYUTCSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000673424247 1081074691 /nfs/dbraw/zinc/07/46/91/1081074691.db2.gz NMWICAPDIHFZAH-AHRSYUTCSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000673424247 1081074684 /nfs/dbraw/zinc/07/46/84/1081074684.db2.gz NMWICAPDIHFZAH-AHRSYUTCSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000673424248 1081074590 /nfs/dbraw/zinc/07/45/90/1081074590.db2.gz NMWICAPDIHFZAH-LSTHTHJFSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000673424248 1081074581 /nfs/dbraw/zinc/07/45/81/1081074581.db2.gz NMWICAPDIHFZAH-LSTHTHJFSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000673424248 1081074571 /nfs/dbraw/zinc/07/45/71/1081074571.db2.gz NMWICAPDIHFZAH-LSTHTHJFSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000673424249 1081074830 /nfs/dbraw/zinc/07/48/30/1081074830.db2.gz NMWICAPDIHFZAH-NSISKUIASA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1C ZINC000673424249 1081074819 /nfs/dbraw/zinc/07/48/19/1081074819.db2.gz NMWICAPDIHFZAH-NSISKUIASA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000673424249 1081074810 /nfs/dbraw/zinc/07/48/10/1081074810.db2.gz NMWICAPDIHFZAH-NSISKUIASA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000673424250 1081074875 /nfs/dbraw/zinc/07/48/75/1081074875.db2.gz NMWICAPDIHFZAH-UXPWSPDFSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1C ZINC000673424250 1081074862 /nfs/dbraw/zinc/07/48/62/1081074862.db2.gz NMWICAPDIHFZAH-UXPWSPDFSA-N 2 1 402.539 0.811 20 0 HCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1C ZINC000673424250 1081074851 /nfs/dbraw/zinc/07/48/51/1081074851.db2.gz NMWICAPDIHFZAH-UXPWSPDFSA-N 2 1 402.539 0.811 20 0 HCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000673424329 1081074294 /nfs/dbraw/zinc/07/42/94/1081074294.db2.gz VIWPWRZJFFUXBE-PMACEKPBSA-N 2 1 402.539 0.858 20 0 HCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000673424333 1081074350 /nfs/dbraw/zinc/07/43/50/1081074350.db2.gz VIWPWRZJFFUXBE-UXHICEINSA-N 2 1 402.539 0.858 20 0 HCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000673424335 1081074195 /nfs/dbraw/zinc/07/41/95/1081074195.db2.gz VIWPWRZJFFUXBE-VQTJNVASSA-N 2 1 402.539 0.858 20 0 HCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000673424337 1081074657 /nfs/dbraw/zinc/07/46/57/1081074657.db2.gz VIWPWRZJFFUXBE-WOJBJXKFSA-N 2 1 402.539 0.858 20 0 HCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000673426759 1081084224 /nfs/dbraw/zinc/08/42/24/1081084224.db2.gz BGLODGIBAJOCHW-KRWDZBQOSA-N 2 1 419.526 0.356 20 0 HCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000673426760 1081084043 /nfs/dbraw/zinc/08/40/43/1081084043.db2.gz BGLODGIBAJOCHW-QGZVFWFLSA-N 2 1 419.526 0.356 20 0 HCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426852 1081083687 /nfs/dbraw/zinc/08/36/87/1081083687.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426852 1081083682 /nfs/dbraw/zinc/08/36/82/1081083682.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426852 1081083677 /nfs/dbraw/zinc/08/36/77/1081083677.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426852 1081083676 /nfs/dbraw/zinc/08/36/76/1081083676.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426852 1081083673 /nfs/dbraw/zinc/08/36/73/1081083673.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426853 1081083613 /nfs/dbraw/zinc/08/36/13/1081083613.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426853 1081083607 /nfs/dbraw/zinc/08/36/07/1081083607.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426853 1081083603 /nfs/dbraw/zinc/08/36/03/1081083603.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426853 1081083597 /nfs/dbraw/zinc/08/35/97/1081083597.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426853 1081083592 /nfs/dbraw/zinc/08/35/92/1081083592.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426854 1081083545 /nfs/dbraw/zinc/08/35/45/1081083545.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426854 1081083536 /nfs/dbraw/zinc/08/35/36/1081083536.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426854 1081083528 /nfs/dbraw/zinc/08/35/28/1081083528.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426854 1081083520 /nfs/dbraw/zinc/08/35/20/1081083520.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426854 1081083514 /nfs/dbraw/zinc/08/35/14/1081083514.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426855 1081083735 /nfs/dbraw/zinc/08/37/35/1081083735.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426855 1081083732 /nfs/dbraw/zinc/08/37/32/1081083732.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426855 1081083728 /nfs/dbraw/zinc/08/37/28/1081083728.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CCCO1 ZINC000673426855 1081083725 /nfs/dbraw/zinc/08/37/25/1081083725.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426855 1081083724 /nfs/dbraw/zinc/08/37/24/1081083724.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 2 1 423.602 0.230 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446237 1081115311 /nfs/dbraw/zinc/11/53/11/1081115311.db2.gz NHIAWQOFBGFTCN-IRFCIJBXSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446237 1081115292 /nfs/dbraw/zinc/11/52/92/1081115292.db2.gz NHIAWQOFBGFTCN-IRFCIJBXSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000673446237 1081115277 /nfs/dbraw/zinc/11/52/77/1081115277.db2.gz NHIAWQOFBGFTCN-IRFCIJBXSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446238 1081115595 /nfs/dbraw/zinc/11/55/95/1081115595.db2.gz NHIAWQOFBGFTCN-QKNQBKEWSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446238 1081115584 /nfs/dbraw/zinc/11/55/84/1081115584.db2.gz NHIAWQOFBGFTCN-QKNQBKEWSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000673446238 1081115579 /nfs/dbraw/zinc/11/55/79/1081115579.db2.gz NHIAWQOFBGFTCN-QKNQBKEWSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446239 1081115207 /nfs/dbraw/zinc/11/52/07/1081115207.db2.gz NHIAWQOFBGFTCN-ZJOUEHCJSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446239 1081115195 /nfs/dbraw/zinc/11/51/95/1081115195.db2.gz NHIAWQOFBGFTCN-ZJOUEHCJSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000673446239 1081115178 /nfs/dbraw/zinc/11/51/78/1081115178.db2.gz NHIAWQOFBGFTCN-ZJOUEHCJSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446240 1081115387 /nfs/dbraw/zinc/11/53/87/1081115387.db2.gz NHIAWQOFBGFTCN-ZVDOUQERSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446240 1081115374 /nfs/dbraw/zinc/11/53/74/1081115374.db2.gz NHIAWQOFBGFTCN-ZVDOUQERSA-N 2 1 419.614 0.994 20 0 HCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000673446240 1081115359 /nfs/dbraw/zinc/11/53/59/1081115359.db2.gz NHIAWQOFBGFTCN-ZVDOUQERSA-N 2 1 419.614 0.994 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000673454037 1081134429 /nfs/dbraw/zinc/13/44/29/1081134429.db2.gz YMCTXXFRRMQLEQ-PMACEKPBSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000673454037 1081134417 /nfs/dbraw/zinc/13/44/17/1081134417.db2.gz YMCTXXFRRMQLEQ-PMACEKPBSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000673454038 1081133846 /nfs/dbraw/zinc/13/38/46/1081133846.db2.gz YMCTXXFRRMQLEQ-UXHICEINSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000673454038 1081133843 /nfs/dbraw/zinc/13/38/43/1081133843.db2.gz YMCTXXFRRMQLEQ-UXHICEINSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000673454039 1081134485 /nfs/dbraw/zinc/13/44/85/1081134485.db2.gz YMCTXXFRRMQLEQ-VQTJNVASSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000673454039 1081134474 /nfs/dbraw/zinc/13/44/74/1081134474.db2.gz YMCTXXFRRMQLEQ-VQTJNVASSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000673454040 1081134359 /nfs/dbraw/zinc/13/43/59/1081134359.db2.gz YMCTXXFRRMQLEQ-WOJBJXKFSA-N 2 1 400.523 0.871 20 0 HCADMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)[C@H]1c1ccccc1 ZINC000673454040 1081134347 /nfs/dbraw/zinc/13/43/47/1081134347.db2.gz YMCTXXFRRMQLEQ-WOJBJXKFSA-N 2 1 400.523 0.871 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454135 1081138254 /nfs/dbraw/zinc/13/82/54/1081138254.db2.gz WUTQWXKFOUFLSA-ACRUOGEOSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454135 1081138238 /nfs/dbraw/zinc/13/82/38/1081138238.db2.gz WUTQWXKFOUFLSA-ACRUOGEOSA-N 2 1 413.566 0.786 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454135 1081138205 /nfs/dbraw/zinc/13/82/05/1081138205.db2.gz WUTQWXKFOUFLSA-ACRUOGEOSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454136 1081138469 /nfs/dbraw/zinc/13/84/69/1081138469.db2.gz WUTQWXKFOUFLSA-HBMCJLEFSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454136 1081138460 /nfs/dbraw/zinc/13/84/60/1081138460.db2.gz WUTQWXKFOUFLSA-HBMCJLEFSA-N 2 1 413.566 0.786 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454136 1081138454 /nfs/dbraw/zinc/13/84/54/1081138454.db2.gz WUTQWXKFOUFLSA-HBMCJLEFSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454137 1081138518 /nfs/dbraw/zinc/13/85/18/1081138518.db2.gz WUTQWXKFOUFLSA-PCCBWWKXSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454137 1081138513 /nfs/dbraw/zinc/13/85/13/1081138513.db2.gz WUTQWXKFOUFLSA-PCCBWWKXSA-N 2 1 413.566 0.786 20 0 HCADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454137 1081138506 /nfs/dbraw/zinc/13/85/06/1081138506.db2.gz WUTQWXKFOUFLSA-PCCBWWKXSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454138 1081137980 /nfs/dbraw/zinc/13/79/80/1081137980.db2.gz WUTQWXKFOUFLSA-PWRODBHTSA-N 2 1 413.566 0.786 20 0 HCADMP C[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454138 1081137956 /nfs/dbraw/zinc/13/79/56/1081137956.db2.gz WUTQWXKFOUFLSA-PWRODBHTSA-N 2 1 413.566 0.786 20 0 HCADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454138 1081137940 /nfs/dbraw/zinc/13/79/40/1081137940.db2.gz WUTQWXKFOUFLSA-PWRODBHTSA-N 2 1 413.566 0.786 20 0 HCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C2)cc(OC)c1 ZINC000673538214 1081227569 /nfs/dbraw/zinc/22/75/69/1081227569.db2.gz AWMCTMPFRAVARI-KRWDZBQOSA-N 2 1 406.527 0.804 20 0 HCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C2)cc(OC)c1 ZINC000673538214 1081227564 /nfs/dbraw/zinc/22/75/64/1081227564.db2.gz AWMCTMPFRAVARI-KRWDZBQOSA-N 2 1 406.527 0.804 20 0 HCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C2)cc(OC)c1 ZINC000673538215 1081227141 /nfs/dbraw/zinc/22/71/41/1081227141.db2.gz AWMCTMPFRAVARI-QGZVFWFLSA-N 2 1 406.527 0.804 20 0 HCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C2)cc(OC)c1 ZINC000673538215 1081227119 /nfs/dbraw/zinc/22/71/19/1081227119.db2.gz AWMCTMPFRAVARI-QGZVFWFLSA-N 2 1 406.527 0.804 20 0 HCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000673582592 1081321115 /nfs/dbraw/zinc/32/11/15/1081321115.db2.gz MBEKXPDEVGEUOG-AEFFLSMTSA-N 2 1 405.543 0.827 20 0 HCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000673582593 1081321017 /nfs/dbraw/zinc/32/10/17/1081321017.db2.gz MBEKXPDEVGEUOG-FUHWJXTLSA-N 2 1 405.543 0.827 20 0 HCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000673582594 1081320990 /nfs/dbraw/zinc/32/09/90/1081320990.db2.gz MBEKXPDEVGEUOG-SJLPKXTDSA-N 2 1 405.543 0.827 20 0 HCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000673582595 1081321135 /nfs/dbraw/zinc/32/11/35/1081321135.db2.gz MBEKXPDEVGEUOG-WMZOPIPTSA-N 2 1 405.543 0.827 20 0 HCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584198 1081322325 /nfs/dbraw/zinc/32/23/25/1081322325.db2.gz AGVAQZQMLUONAA-LEWJYISDSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584198 1081322319 /nfs/dbraw/zinc/32/23/19/1081322319.db2.gz AGVAQZQMLUONAA-LEWJYISDSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584199 1081322410 /nfs/dbraw/zinc/32/24/10/1081322410.db2.gz AGVAQZQMLUONAA-NHCUHLMSSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584199 1081322405 /nfs/dbraw/zinc/32/24/05/1081322405.db2.gz AGVAQZQMLUONAA-NHCUHLMSSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584200 1081322473 /nfs/dbraw/zinc/32/24/73/1081322473.db2.gz AGVAQZQMLUONAA-RTWAWAEBSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584200 1081322468 /nfs/dbraw/zinc/32/24/68/1081322468.db2.gz AGVAQZQMLUONAA-RTWAWAEBSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584201 1081322384 /nfs/dbraw/zinc/32/23/84/1081322384.db2.gz AGVAQZQMLUONAA-SFTDATJTSA-N 2 1 414.550 0.655 20 0 HCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584201 1081322379 /nfs/dbraw/zinc/32/23/79/1081322379.db2.gz AGVAQZQMLUONAA-SFTDATJTSA-N 2 1 414.550 0.655 20 0 HCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673585010 1081319951 /nfs/dbraw/zinc/31/99/51/1081319951.db2.gz BBJOJIZIRKHKJN-FUMNGEBKSA-N 2 1 406.571 0.956 20 0 HCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673585011 1081319737 /nfs/dbraw/zinc/31/97/37/1081319737.db2.gz BBJOJIZIRKHKJN-FYQPLNBISA-N 2 1 406.571 0.956 20 0 HCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673585012 1081319661 /nfs/dbraw/zinc/31/96/61/1081319661.db2.gz BBJOJIZIRKHKJN-IYWMVGAKSA-N 2 1 406.571 0.956 20 0 HCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673585013 1081319880 /nfs/dbraw/zinc/31/98/80/1081319880.db2.gz BBJOJIZIRKHKJN-WCIQWLHISA-N 2 1 406.571 0.956 20 0 HCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)nc(C)[nH+]1 ZINC000673608200 1081347422 /nfs/dbraw/zinc/34/74/22/1081347422.db2.gz BIBQRUSUIOEJED-UHFFFAOYSA-N 2 1 423.521 0.922 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000673626503 1081376399 /nfs/dbraw/zinc/37/63/99/1081376399.db2.gz YPTMLQPOGIBVDP-KRWDZBQOSA-N 2 1 415.538 0.861 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000673626503 1081376392 /nfs/dbraw/zinc/37/63/92/1081376392.db2.gz YPTMLQPOGIBVDP-KRWDZBQOSA-N 2 1 415.538 0.861 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000673626504 1081376195 /nfs/dbraw/zinc/37/61/95/1081376195.db2.gz YPTMLQPOGIBVDP-QGZVFWFLSA-N 2 1 415.538 0.861 20 0 HCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000673626504 1081376186 /nfs/dbraw/zinc/37/61/86/1081376186.db2.gz YPTMLQPOGIBVDP-QGZVFWFLSA-N 2 1 415.538 0.861 20 0 HCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC000761291187 1073505355 /nfs/dbraw/zinc/50/53/55/1073505355.db2.gz ANNJGSUGJKNWIH-UHFFFAOYSA-N 2 1 400.483 0.866 20 0 HCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751463 1077651191 /nfs/dbraw/zinc/65/11/91/1077651191.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751463 1077651189 /nfs/dbraw/zinc/65/11/89/1077651189.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751463 1077651186 /nfs/dbraw/zinc/65/11/86/1077651186.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653859 /nfs/dbraw/zinc/65/38/59/1077653859.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653853 /nfs/dbraw/zinc/65/38/53/1077653853.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653848 /nfs/dbraw/zinc/65/38/48/1077653848.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751769 1077653722 /nfs/dbraw/zinc/65/37/22/1077653722.db2.gz LEMXMHFVOHPYNT-NCXUSEDFSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077653998 /nfs/dbraw/zinc/65/39/98/1077653998.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077653985 /nfs/dbraw/zinc/65/39/85/1077653985.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 2 1 420.554 0.116 20 0 HCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077653968 /nfs/dbraw/zinc/65/39/68/1077653968.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 2 1 420.554 0.116 20 0 HCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)cn2)CC1 ZINC000761970920 1077788831 /nfs/dbraw/zinc/78/88/31/1077788831.db2.gz UMEJMNPZSFNBPE-UHFFFAOYSA-N 2 1 418.514 0.582 20 0 HCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000762699469 1077884577 /nfs/dbraw/zinc/88/45/77/1077884577.db2.gz JDYUVJJKCKPWHH-NRFANRHFSA-N 2 1 403.527 0.338 20 0 HCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000762699470 1077884594 /nfs/dbraw/zinc/88/45/94/1077884594.db2.gz JDYUVJJKCKPWHH-OAQYLSRUSA-N 2 1 403.527 0.338 20 0 HCADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000762699484 1077884548 /nfs/dbraw/zinc/88/45/48/1077884548.db2.gz JKTFUKCFHMSDMO-JOCHJYFZSA-N 2 1 417.554 0.586 20 0 HCADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000762699485 1077884503 /nfs/dbraw/zinc/88/45/03/1077884503.db2.gz JKTFUKCFHMSDMO-QFIPXVFZSA-N 2 1 417.554 0.586 20 0 HCADMP CN(c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000762701757 1077885569 /nfs/dbraw/zinc/88/55/69/1077885569.db2.gz QMPGGVGWTVYJDU-NRFANRHFSA-N 2 1 403.527 0.338 20 0 HCADMP CN(c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000762701759 1077885625 /nfs/dbraw/zinc/88/56/25/1077885625.db2.gz QMPGGVGWTVYJDU-OAQYLSRUSA-N 2 1 403.527 0.338 20 0 HCADMP C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000762701908 1077885224 /nfs/dbraw/zinc/88/52/24/1077885224.db2.gz SZCQDJYTSPEFIM-IBGZPJMESA-N 2 1 409.918 0.213 20 0 HCADMP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000762701908 1077885223 /nfs/dbraw/zinc/88/52/23/1077885223.db2.gz SZCQDJYTSPEFIM-IBGZPJMESA-N 2 1 409.918 0.213 20 0 HCADMP C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000762701910 1077885543 /nfs/dbraw/zinc/88/55/43/1077885543.db2.gz SZCQDJYTSPEFIM-LJQANCHMSA-N 2 1 409.918 0.213 20 0 HCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000762701910 1077885540 /nfs/dbraw/zinc/88/55/40/1077885540.db2.gz SZCQDJYTSPEFIM-LJQANCHMSA-N 2 1 409.918 0.213 20 0 HCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2F)CC1 ZINC000762704587 1077887737 /nfs/dbraw/zinc/88/77/37/1077887737.db2.gz VWCBWXOZZXXQQJ-NRFANRHFSA-N 2 1 421.517 0.477 20 0 HCADMP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2F)CC1 ZINC000762704592 1077887690 /nfs/dbraw/zinc/88/76/90/1077887690.db2.gz VWCBWXOZZXXQQJ-OAQYLSRUSA-N 2 1 421.517 0.477 20 0 HCADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764467248 1079345947 /nfs/dbraw/zinc/34/59/47/1079345947.db2.gz OQUXJSRWKKQKTP-OUXIGPNZSA-N 2 1 410.584 0.924 20 0 HCADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764467249 1079346263 /nfs/dbraw/zinc/34/62/63/1079346263.db2.gz OQUXJSRWKKQKTP-XGSMPBFLSA-N 2 1 410.584 0.924 20 0 HCADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764467250 1079346241 /nfs/dbraw/zinc/34/62/41/1079346241.db2.gz OQUXJSRWKKQKTP-YVPLBCMISA-N 2 1 410.584 0.924 20 0 HCADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764467251 1079346050 /nfs/dbraw/zinc/34/60/50/1079346050.db2.gz OQUXJSRWKKQKTP-ZAODVUJUSA-N 2 1 410.584 0.924 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)C1 ZINC000764574584 1079353440 /nfs/dbraw/zinc/35/34/40/1079353440.db2.gz VTRBPRLASMHHGD-CRAIPNDOSA-N 2 1 406.483 0.798 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)C1 ZINC000764575417 1079354232 /nfs/dbraw/zinc/35/42/32/1079354232.db2.gz VTRBPRLASMHHGD-MAUKXSAKSA-N 2 1 406.483 0.798 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)C1 ZINC000764575418 1079354391 /nfs/dbraw/zinc/35/43/91/1079354391.db2.gz VTRBPRLASMHHGD-QAPCUYQASA-N 2 1 406.483 0.798 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)C1 ZINC000764575420 1079354359 /nfs/dbraw/zinc/35/43/59/1079354359.db2.gz VTRBPRLASMHHGD-YJBOKZPZSA-N 2 1 406.483 0.798 20 0 HCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCCO1 ZINC000764689837 1079362229 /nfs/dbraw/zinc/36/22/29/1079362229.db2.gz WJKJKSVZKUUFOW-GOSISDBHSA-N 2 1 417.554 0.994 20 0 HCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCCO1 ZINC000764689838 1079362353 /nfs/dbraw/zinc/36/23/53/1079362353.db2.gz WJKJKSVZKUUFOW-SFHVURJKSA-N 2 1 417.554 0.994 20 0 HCADMP CN1CCN(c2ccccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000784394858 1077416488 /nfs/dbraw/zinc/41/64/88/1077416488.db2.gz VYUFJCOEFLWFJN-UHFFFAOYSA-N 2 1 404.559 0.329 20 0 HCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000915714125 1077961548 /nfs/dbraw/zinc/96/15/48/1077961548.db2.gz PUUIOMTXCJJVQX-UHFFFAOYSA-N 2 1 403.527 0.606 20 0 HCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000915729722 1077964963 /nfs/dbraw/zinc/96/49/63/1077964963.db2.gz VASRNHQLSIPIJX-GOSISDBHSA-N 2 1 417.554 0.850 20 0 HCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000915729725 1077965019 /nfs/dbraw/zinc/96/50/19/1077965019.db2.gz VASRNHQLSIPIJX-SFHVURJKSA-N 2 1 417.554 0.850 20 0 HCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(C)CC3)cc2)CC1 ZINC000915740458 1077966588 /nfs/dbraw/zinc/96/65/88/1077966588.db2.gz VHPCGWNCWVLQRQ-UHFFFAOYSA-N 2 1 416.570 0.521 20 0 HCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000915754100 1077968619 /nfs/dbraw/zinc/96/86/19/1077968619.db2.gz IOBSZDRLLQLDCK-HDICACEKSA-N 2 1 417.554 0.992 20 0 HCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000918238575 1078374233 /nfs/dbraw/zinc/37/42/33/1078374233.db2.gz GYSYLKOLCNPJGI-UHFFFAOYSA-N 2 1 403.527 0.606 20 0 HCADMP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000918238575 1078374227 /nfs/dbraw/zinc/37/42/27/1078374227.db2.gz GYSYLKOLCNPJGI-UHFFFAOYSA-N 2 1 403.527 0.606 20 0 HCADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000918260009 1078377749 /nfs/dbraw/zinc/37/77/49/1078377749.db2.gz LDQKCSSTYZKBHY-UHFFFAOYSA-N 2 1 416.570 0.521 20 0 HCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000918262271 1078378461 /nfs/dbraw/zinc/37/84/61/1078378461.db2.gz YXOQJTMHIRFMFN-FQEVSTJZSA-N 2 1 417.554 0.730 20 0 HCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000918262272 1078378494 /nfs/dbraw/zinc/37/84/94/1078378494.db2.gz YXOQJTMHIRFMFN-HXUWFJFHSA-N 2 1 417.554 0.730 20 0 HCADMP COCC[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000918265232 1078382680 /nfs/dbraw/zinc/38/26/80/1078382680.db2.gz GZYXRLMCQWDDIV-UHFFFAOYSA-N 2 1 405.543 0.852 20 0 HCADMP COCC[NH+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000918265232 1078382677 /nfs/dbraw/zinc/38/26/77/1078382677.db2.gz GZYXRLMCQWDDIV-UHFFFAOYSA-N 2 1 405.543 0.852 20 0 HCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000918265232 1078382673 /nfs/dbraw/zinc/38/26/73/1078382673.db2.gz GZYXRLMCQWDDIV-UHFFFAOYSA-N 2 1 405.543 0.852 20 0 HCADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2)CC1 ZINC000918271502 1078379993 /nfs/dbraw/zinc/37/99/93/1078379993.db2.gz TYALGGVXZATPFY-UHFFFAOYSA-N 2 1 417.554 0.996 20 0 HCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000918303637 1078383994 /nfs/dbraw/zinc/38/39/94/1078383994.db2.gz CXEBAIWVPQSSRX-UHFFFAOYSA-N 2 1 411.510 0.754 20 0 HCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000919861023 1079032694 /nfs/dbraw/zinc/03/26/94/1079032694.db2.gz NQWGOXBSIOKHFV-IBGZPJMESA-N 2 1 407.478 0.892 20 0 HCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000919861026 1079032575 /nfs/dbraw/zinc/03/25/75/1079032575.db2.gz NQWGOXBSIOKHFV-LJQANCHMSA-N 2 1 407.478 0.892 20 0 HCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000919861126 1079032558 /nfs/dbraw/zinc/03/25/58/1079032558.db2.gz OEUZMHPSYGCZJO-UHFFFAOYSA-N 2 1 415.475 0.617 20 0 HCADMP CCn1c(=O)c2ccccc2n(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1=O ZINC000919861157 1079032705 /nfs/dbraw/zinc/03/27/05/1079032705.db2.gz PLQZYGOSZBQSDP-UHFFFAOYSA-N 2 1 422.489 0.969 20 0 HCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000919861384 1079032631 /nfs/dbraw/zinc/03/26/31/1079032631.db2.gz UKFGCVYVFSHKCI-UHFFFAOYSA-N 2 1 402.480 0.270 20 0 HCADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(C(=O)NCCO)CC3)cc2)CC1 ZINC000920206563 1079130009 /nfs/dbraw/zinc/13/00/09/1079130009.db2.gz OCIIVCGQTOOMPZ-UHFFFAOYSA-N 2 1 417.554 0.588 20 0 HCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)CC[N@H+]1C ZINC000996914536 1079395927 /nfs/dbraw/zinc/39/59/27/1079395927.db2.gz KVYBHKXGTLGFPO-DBDQLMEASA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)CC[N@H+]1C ZINC000996965676 1079413457 /nfs/dbraw/zinc/41/34/57/1079413457.db2.gz AEMAZTDLLGJVIW-RFLLJTPXSA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC000997010992 1079424341 /nfs/dbraw/zinc/42/43/41/1079424341.db2.gz DIHLLIRZPLBFJN-DBDQLMEASA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1C ZINC000997012975 1079424751 /nfs/dbraw/zinc/42/47/51/1079424751.db2.gz OREVJHMFXFGFCS-RFLLJTPXSA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)O1 ZINC000997824978 1080011522 /nfs/dbraw/zinc/01/15/22/1080011522.db2.gz YHYUXVDBJMVCMH-ZSXDVEMLSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)O1 ZINC000997824978 1080011510 /nfs/dbraw/zinc/01/15/10/1080011510.db2.gz YHYUXVDBJMVCMH-ZSXDVEMLSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+](CCC2)C3)O1 ZINC000997835581 1080015010 /nfs/dbraw/zinc/01/50/10/1080015010.db2.gz OMCMGHJEBAGZTJ-ZSXDVEMLSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+](CCC2)C3)O1 ZINC000997835581 1080015003 /nfs/dbraw/zinc/01/50/03/1080015003.db2.gz OMCMGHJEBAGZTJ-ZSXDVEMLSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)CC[N@H+]1C ZINC001003070197 1080861167 /nfs/dbraw/zinc/86/11/67/1080861167.db2.gz KVYBHKXGTLGFPO-SJQORLFUSA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)CC[N@H+]1C ZINC001003114899 1080877549 /nfs/dbraw/zinc/87/75/49/1080877549.db2.gz AEMAZTDLLGJVIW-RTYCURFASA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC001003149189 1080890043 /nfs/dbraw/zinc/89/00/43/1080890043.db2.gz DIHLLIRZPLBFJN-SJQORLFUSA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1C ZINC001003149862 1080890116 /nfs/dbraw/zinc/89/01/16/1080890116.db2.gz OREVJHMFXFGFCS-RTYCURFASA-N 2 1 402.543 0.647 20 0 HCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+](CCC2)C3)O1 ZINC001003703998 1081093494 /nfs/dbraw/zinc/09/34/94/1081093494.db2.gz OMCMGHJEBAGZTJ-IEWDOMPSSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+](CCC2)C3)O1 ZINC001003703998 1081093493 /nfs/dbraw/zinc/09/34/93/1081093493.db2.gz OMCMGHJEBAGZTJ-IEWDOMPSSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)O1 ZINC001003705989 1081094442 /nfs/dbraw/zinc/09/44/42/1081094442.db2.gz YHYUXVDBJMVCMH-IEWDOMPSSA-N 2 1 404.555 0.830 20 0 HCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+](CCC2)C4)C3)O1 ZINC001003705989 1081094434 /nfs/dbraw/zinc/09/44/34/1081094434.db2.gz YHYUXVDBJMVCMH-IEWDOMPSSA-N 2 1 404.555 0.830 20 0 HCADMP C[NH+]1CCN(c2ccc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)nn2)CC1 ZINC001164638147 719266972 /nfs/dbraw/zinc/26/69/72/719266972.db2.gz NTDPFPFWONXZIK-UHFFFAOYSA-N 2 1 407.482 0.990 20 0 HCADMP COCCN1CCN(C)C2(CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)C1=O ZINC001164640200 719277227 /nfs/dbraw/zinc/27/72/27/719277227.db2.gz OUSGVRYUVXVGGU-UHFFFAOYSA-N 2 1 417.558 0.164 20 0 HCADMP COC(=O)c1cc(S(N)(=O)=O)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679611 719642559 /nfs/dbraw/zinc/64/25/59/719642559.db2.gz IOLQOQALRHMPQJ-UHFFFAOYSA-N 2 1 422.511 0.187 20 0 HCADMP COC(=O)c1cc(S(N)(=O)=O)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679611 719642554 /nfs/dbraw/zinc/64/25/54/719642554.db2.gz IOLQOQALRHMPQJ-UHFFFAOYSA-N 2 1 422.511 0.187 20 0 HCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164690247 719736348 /nfs/dbraw/zinc/73/63/48/719736348.db2.gz WSAOILAOTSPPQX-UHFFFAOYSA-N 2 1 415.542 0.097 20 0 HCADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164690247 719736331 /nfs/dbraw/zinc/73/63/31/719736331.db2.gz WSAOILAOTSPPQX-UHFFFAOYSA-N 2 1 415.542 0.097 20 0 HCADMP Cn1nnc2c1CCN(c1[nH+]ccc3c1NC(=O)CO3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718812 720183913 /nfs/dbraw/zinc/18/39/13/720183913.db2.gz RUXNIKGNJOOEOA-HNNXBMFYSA-N 2 1 413.482 0.757 20 0 HCADMP Cn1nnc2c1CCN(c1[nH+]ccc3c1NC(=O)CO3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718813 720183404 /nfs/dbraw/zinc/18/34/04/720183404.db2.gz RUXNIKGNJOOEOA-OAHLLOKOSA-N 2 1 413.482 0.757 20 0 HCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001164721893 720272273 /nfs/dbraw/zinc/27/22/73/720272273.db2.gz MOFQCSYGMQCGOC-NRFANRHFSA-N 2 1 402.543 0.156 20 0 HCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001164721893 720272268 /nfs/dbraw/zinc/27/22/68/720272268.db2.gz MOFQCSYGMQCGOC-NRFANRHFSA-N 2 1 402.543 0.156 20 0 HCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001164721896 720272879 /nfs/dbraw/zinc/27/28/79/720272879.db2.gz MOFQCSYGMQCGOC-OAQYLSRUSA-N 2 1 402.543 0.156 20 0 HCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001164721896 720272864 /nfs/dbraw/zinc/27/28/64/720272864.db2.gz MOFQCSYGMQCGOC-OAQYLSRUSA-N 2 1 402.543 0.156 20 0 HCADMP CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001164722900 720267924 /nfs/dbraw/zinc/26/79/24/720267924.db2.gz TXWPZQVEWPAPTQ-NRFANRHFSA-N 2 1 417.558 0.069 20 0 HCADMP CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001164722901 720266935 /nfs/dbraw/zinc/26/69/35/720266935.db2.gz TXWPZQVEWPAPTQ-OAQYLSRUSA-N 2 1 417.558 0.069 20 0 HCADMP c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164737022 720579054 /nfs/dbraw/zinc/57/90/54/720579054.db2.gz YZQNRZXNVWFRSH-UHFFFAOYSA-N 2 1 424.553 0.771 20 0 HCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164738482 720816649 /nfs/dbraw/zinc/81/66/49/720816649.db2.gz FZAHYJLBPRLHRP-AABGKKOBSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738486 720816777 /nfs/dbraw/zinc/81/67/77/720816777.db2.gz FZAHYJLBPRLHRP-HSALFYBXSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738488 720816661 /nfs/dbraw/zinc/81/66/61/720816661.db2.gz FZAHYJLBPRLHRP-SLFFLAALSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164738490 720816845 /nfs/dbraw/zinc/81/68/45/720816845.db2.gz FZAHYJLBPRLHRP-UFYCRDLUSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164741033 720749817 /nfs/dbraw/zinc/74/98/17/720749817.db2.gz LXVMRRJICCYBEU-CVEARBPZSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164741033 720749810 /nfs/dbraw/zinc/74/98/10/720749810.db2.gz LXVMRRJICCYBEU-CVEARBPZSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164741037 720750387 /nfs/dbraw/zinc/75/03/87/720750387.db2.gz LXVMRRJICCYBEU-HOTGVXAUSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164741037 720750374 /nfs/dbraw/zinc/75/03/74/720750374.db2.gz LXVMRRJICCYBEU-HOTGVXAUSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164741042 720748771 /nfs/dbraw/zinc/74/87/71/720748771.db2.gz LXVMRRJICCYBEU-HZPDHXFCSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164741042 720748759 /nfs/dbraw/zinc/74/87/59/720748759.db2.gz LXVMRRJICCYBEU-HZPDHXFCSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@H+]3C2)cn1 ZINC001164741046 720749407 /nfs/dbraw/zinc/74/94/07/720749407.db2.gz LXVMRRJICCYBEU-JKSUJKDBSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC[N@@H+]3C2)cn1 ZINC001164741046 720749402 /nfs/dbraw/zinc/74/94/02/720749402.db2.gz LXVMRRJICCYBEU-JKSUJKDBSA-N 2 1 424.509 0.048 20 0 HCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744525 720832327 /nfs/dbraw/zinc/83/23/27/720832327.db2.gz UVMAJYFOGOFWKR-AABGKKOBSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744528 720832423 /nfs/dbraw/zinc/83/24/23/720832423.db2.gz UVMAJYFOGOFWKR-HSALFYBXSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744529 720831999 /nfs/dbraw/zinc/83/19/99/720831999.db2.gz UVMAJYFOGOFWKR-SLFFLAALSA-N 2 1 423.569 0.857 20 0 HCADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744531 720832373 /nfs/dbraw/zinc/83/23/73/720832373.db2.gz UVMAJYFOGOFWKR-UFYCRDLUSA-N 2 1 423.569 0.857 20 0 HCADMP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746714 720794833 /nfs/dbraw/zinc/79/48/33/720794833.db2.gz MUUZYFRQGCQWRQ-MSOLQXFVSA-N 2 1 411.510 0.987 20 0 HCADMP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746715 720793694 /nfs/dbraw/zinc/79/36/94/720793694.db2.gz MUUZYFRQGCQWRQ-QZTJIDSGSA-N 2 1 411.510 0.987 20 0 HCADMP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746716 720794387 /nfs/dbraw/zinc/79/43/87/720794387.db2.gz MUUZYFRQGCQWRQ-ROUUACIJSA-N 2 1 411.510 0.987 20 0 HCADMP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746717 720795628 /nfs/dbraw/zinc/79/56/28/720795628.db2.gz MUUZYFRQGCQWRQ-ZWKOTPCHSA-N 2 1 411.510 0.987 20 0 HCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164749870 720959583 /nfs/dbraw/zinc/95/95/83/720959583.db2.gz HYPFTAUPHONFKS-UHFFFAOYSA-N 3 1 414.514 0.246 20 0 HCADMP COCCn1ccc2c1nc[nH+]c2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164750983 720956984 /nfs/dbraw/zinc/95/69/84/720956984.db2.gz OTLOHGOOYAWSSE-UHFFFAOYSA-N 2 1 413.482 0.920 20 0 HCADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164751701 720958232 /nfs/dbraw/zinc/95/82/32/720958232.db2.gz SDZVLZRARVHWJQ-UHFFFAOYSA-N 2 1 413.438 0.587 20 0 HCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164752254 720960804 /nfs/dbraw/zinc/96/08/04/720960804.db2.gz USNLRLQFXBUUPM-UHFFFAOYSA-N 2 1 413.526 0.851 20 0 HCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164753242 720966313 /nfs/dbraw/zinc/96/63/13/720966313.db2.gz BGGKAXWPAZCBKO-UHFFFAOYSA-N 2 1 414.514 0.071 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@@H]3C2)cn1 ZINC001164764160 721163583 /nfs/dbraw/zinc/16/35/83/721163583.db2.gz HHPPQNFSWVXJCQ-MOPGFXCFSA-N 2 1 409.538 0.819 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@@H]3C2)cn1 ZINC001164764163 721162963 /nfs/dbraw/zinc/16/29/63/721162963.db2.gz HHPPQNFSWVXJCQ-OALUTQOASA-N 2 1 409.538 0.819 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@H]3C2)cn1 ZINC001164764166 721162285 /nfs/dbraw/zinc/16/22/85/721162285.db2.gz HHPPQNFSWVXJCQ-RBUKOAKNSA-N 2 1 409.538 0.819 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@H]3C2)cn1 ZINC001164764169 721162995 /nfs/dbraw/zinc/16/29/95/721162995.db2.gz HHPPQNFSWVXJCQ-RTBURBONSA-N 2 1 409.538 0.819 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164770801 721186086 /nfs/dbraw/zinc/18/60/86/721186086.db2.gz OOFDYNUBYVFZRV-MSOLQXFVSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164770801 721186077 /nfs/dbraw/zinc/18/60/77/721186077.db2.gz OOFDYNUBYVFZRV-MSOLQXFVSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)cn1 ZINC001164770803 721185005 /nfs/dbraw/zinc/18/50/05/721185005.db2.gz OOFDYNUBYVFZRV-QZTJIDSGSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)cn1 ZINC001164770803 721185003 /nfs/dbraw/zinc/18/50/03/721185003.db2.gz OOFDYNUBYVFZRV-QZTJIDSGSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164770805 721185688 /nfs/dbraw/zinc/18/56/88/721185688.db2.gz OOFDYNUBYVFZRV-ROUUACIJSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164770805 721185683 /nfs/dbraw/zinc/18/56/83/721185683.db2.gz OOFDYNUBYVFZRV-ROUUACIJSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)cn1 ZINC001164770807 721185023 /nfs/dbraw/zinc/18/50/23/721185023.db2.gz OOFDYNUBYVFZRV-ZWKOTPCHSA-N 2 1 424.553 0.608 20 0 HCADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)cn1 ZINC001164770807 721185022 /nfs/dbraw/zinc/18/50/22/721185022.db2.gz OOFDYNUBYVFZRV-ZWKOTPCHSA-N 2 1 424.553 0.608 20 0 HCADMP C[NH+]1CCN(c2nccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)n2)CC1 ZINC001164789096 721484543 /nfs/dbraw/zinc/48/45/43/721484543.db2.gz BDBGOGGVLYPKMK-BZSNNMDCSA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2nccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)n2)CC1 ZINC001164789097 721484731 /nfs/dbraw/zinc/48/47/31/721484731.db2.gz BDBGOGGVLYPKMK-KSZLIROESA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2nccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)n2)CC1 ZINC001164789098 721484435 /nfs/dbraw/zinc/48/44/35/721484435.db2.gz BDBGOGGVLYPKMK-KURKYZTESA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2nccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n2)CC1 ZINC001164789099 721484681 /nfs/dbraw/zinc/48/46/81/721484681.db2.gz BDBGOGGVLYPKMK-SQNIBIBYSA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2ccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)nn2)CC1 ZINC001164793299 721484159 /nfs/dbraw/zinc/48/41/59/721484159.db2.gz UHRRSBKQMATXMI-BZSNNMDCSA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2ccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)nn2)CC1 ZINC001164793300 721484200 /nfs/dbraw/zinc/48/42/00/721484200.db2.gz UHRRSBKQMATXMI-KSZLIROESA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2ccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)nn2)CC1 ZINC001164793301 721483946 /nfs/dbraw/zinc/48/39/46/721483946.db2.gz UHRRSBKQMATXMI-KURKYZTESA-N 2 1 410.526 0.781 20 0 HCADMP C[NH+]1CCN(c2ccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)nn2)CC1 ZINC001164793302 721484010 /nfs/dbraw/zinc/48/40/10/721484010.db2.gz UHRRSBKQMATXMI-SQNIBIBYSA-N 2 1 410.526 0.781 20 0 HCADMP CN1CCN(Cc2cn3c(n2)CN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)CC1 ZINC001164796810 721517509 /nfs/dbraw/zinc/51/75/09/721517509.db2.gz CSYAUSJJQHKAKT-UHFFFAOYSA-N 2 1 410.570 0.973 20 0 HCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(N3CC[NH2+]CC3)n1)CCC2 ZINC001164811927 720225989 /nfs/dbraw/zinc/22/59/89/720225989.db2.gz AUWRNHAALZEMRQ-UHFFFAOYSA-N 2 1 412.542 0.693 20 0 HCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CC[NH2+]CC3)nn1)CCC2 ZINC001164815290 720214293 /nfs/dbraw/zinc/21/42/93/720214293.db2.gz YIAFRWVZWXBNRZ-UHFFFAOYSA-N 2 1 412.542 0.693 20 0 HCADMP C[N@H+]1CCc2nc(Cl)nc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2C1 ZINC001164817645 720250012 /nfs/dbraw/zinc/25/00/12/720250012.db2.gz RURULUJOKRAZNZ-UHFFFAOYSA-N 2 1 403.874 0.379 20 0 HCADMP C[C@H]1CCCN1C(=O)c1nn(-c2ccc(N3CC[NH+](C)CC3)nn2)c2c1C[NH2+]CC2 ZINC001164843920 720805570 /nfs/dbraw/zinc/80/55/70/720805570.db2.gz ADCMBWWBPOEPHF-HNNXBMFYSA-N 2 1 410.526 0.684 20 0 HCADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(N3CC[NH+](C)CC3)nn2)c2c1C[NH2+]CC2 ZINC001164843924 720805704 /nfs/dbraw/zinc/80/57/04/720805704.db2.gz ADCMBWWBPOEPHF-OAHLLOKOSA-N 2 1 410.526 0.684 20 0 HCADMP COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@H]2C1 ZINC001164852053 720864129 /nfs/dbraw/zinc/86/41/29/720864129.db2.gz BYKVSTMEZXTCJF-HKUYNNGSSA-N 2 1 403.527 0.301 20 0 HCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001164852055 720864304 /nfs/dbraw/zinc/86/43/04/720864304.db2.gz BYKVSTMEZXTCJF-IEBWSBKVSA-N 2 1 403.527 0.301 20 0 HCADMP COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001164852056 720864483 /nfs/dbraw/zinc/86/44/83/720864483.db2.gz BYKVSTMEZXTCJF-MJGOQNOKSA-N 2 1 403.527 0.301 20 0 HCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@H]2C1 ZINC001164852058 720864323 /nfs/dbraw/zinc/86/43/23/720864323.db2.gz BYKVSTMEZXTCJF-PKOBYXMFSA-N 2 1 403.527 0.301 20 0 HCADMP COCC[N@H+]1CCO[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]2C1 ZINC001164855011 720871391 /nfs/dbraw/zinc/87/13/91/720871391.db2.gz LZSOMXYHGJWCPO-APWZRJJASA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]2C1 ZINC001164855011 720871390 /nfs/dbraw/zinc/87/13/90/720871390.db2.gz LZSOMXYHGJWCPO-APWZRJJASA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@H+]1CCO[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@H]2C1 ZINC001164855015 720872127 /nfs/dbraw/zinc/87/21/27/720872127.db2.gz LZSOMXYHGJWCPO-LPHOPBHVSA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@H]2C1 ZINC001164855015 720872124 /nfs/dbraw/zinc/87/21/24/720872124.db2.gz LZSOMXYHGJWCPO-LPHOPBHVSA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@H]2C1 ZINC001164855018 720872156 /nfs/dbraw/zinc/87/21/56/720872156.db2.gz LZSOMXYHGJWCPO-QFBILLFUSA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@H]2C1 ZINC001164855018 720872154 /nfs/dbraw/zinc/87/21/54/720872154.db2.gz LZSOMXYHGJWCPO-QFBILLFUSA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]2C1 ZINC001164855021 720871842 /nfs/dbraw/zinc/87/18/42/720871842.db2.gz LZSOMXYHGJWCPO-VQIMIIECSA-N 2 1 418.542 0.090 20 0 HCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC[C@@H]2C1 ZINC001164855021 720871841 /nfs/dbraw/zinc/87/18/41/720871841.db2.gz LZSOMXYHGJWCPO-VQIMIIECSA-N 2 1 418.542 0.090 20 0 HCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)C1 ZINC001164868568 721265626 /nfs/dbraw/zinc/26/56/26/721265626.db2.gz CMMQQIBVKPESJB-UHFFFAOYSA-N 2 1 422.961 0.783 20 0 HCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3C[NH2+]CC4)CC2)C1 ZINC001164873095 721261129 /nfs/dbraw/zinc/26/11/29/721261129.db2.gz GKNFXCOGFIIADF-UHFFFAOYSA-N 2 1 422.961 0.783 20 0 HCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)C1 ZINC001164873335 721280009 /nfs/dbraw/zinc/28/00/09/721280009.db2.gz LJFWNCODWSJFTO-UHFFFAOYSA-N 2 1 416.570 0.498 20 0 HCADMP Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1C1C[NH2+]C1 ZINC001164873792 721294311 /nfs/dbraw/zinc/29/43/11/721294311.db2.gz AMIUWRZYDDESBK-UHFFFAOYSA-N 2 1 402.543 0.479 20 0 HCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)C1 ZINC001164874423 721280149 /nfs/dbraw/zinc/28/01/49/721280149.db2.gz RLGNOMKEZIZAQX-UHFFFAOYSA-N 2 1 417.554 0.925 20 0 HCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001164875331 721280172 /nfs/dbraw/zinc/28/01/72/721280172.db2.gz VIWNOUSZTZWEJD-UHFFFAOYSA-N 2 1 416.570 0.951 20 0 HCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C1 ZINC001164877331 721261098 /nfs/dbraw/zinc/26/10/98/721261098.db2.gz QVECTLRSPLMJKK-UHFFFAOYSA-N 2 1 402.543 0.172 20 0 HCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884447 721392751 /nfs/dbraw/zinc/39/27/51/721392751.db2.gz BAKIDBRULSTUKC-DENIHFKCSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884448 721392560 /nfs/dbraw/zinc/39/25/60/721392560.db2.gz BAKIDBRULSTUKC-KNQAVFIVSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884449 721392860 /nfs/dbraw/zinc/39/28/60/721392860.db2.gz BAKIDBRULSTUKC-SIKLNZKXSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884450 721392813 /nfs/dbraw/zinc/39/28/13/721392813.db2.gz BAKIDBRULSTUKC-UGKGYDQZSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885011 721382079 /nfs/dbraw/zinc/38/20/79/721382079.db2.gz BNRZCTWQXFTCLE-AVRDEDQJSA-N 2 1 400.571 0.930 20 0 HCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885012 721381888 /nfs/dbraw/zinc/38/18/88/721381888.db2.gz BNRZCTWQXFTCLE-GCJKJVERSA-N 2 1 400.571 0.930 20 0 HCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885013 721381595 /nfs/dbraw/zinc/38/15/95/721381595.db2.gz BNRZCTWQXFTCLE-PGRDOPGGSA-N 2 1 400.571 0.930 20 0 HCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885014 721381631 /nfs/dbraw/zinc/38/16/31/721381631.db2.gz BNRZCTWQXFTCLE-XMSQKQJNSA-N 2 1 400.571 0.930 20 0 HCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890604 721416041 /nfs/dbraw/zinc/41/60/41/721416041.db2.gz UDOYSOLWGKBZGM-DENIHFKCSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890608 721416553 /nfs/dbraw/zinc/41/65/53/721416553.db2.gz UDOYSOLWGKBZGM-KNQAVFIVSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890612 721416706 /nfs/dbraw/zinc/41/67/06/721416706.db2.gz UDOYSOLWGKBZGM-SIKLNZKXSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890615 721416713 /nfs/dbraw/zinc/41/67/13/721416713.db2.gz UDOYSOLWGKBZGM-UGKGYDQZSA-N 2 1 415.586 0.652 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)CC1 ZINC001164996443 722230529 /nfs/dbraw/zinc/23/05/29/722230529.db2.gz HKVRLJWBJYFBJI-UHFFFAOYSA-N 2 1 414.945 0.923 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)CC1 ZINC001164996582 722229005 /nfs/dbraw/zinc/22/90/05/722229005.db2.gz JYUWUEGXUMQIJJ-UHFFFAOYSA-N 2 1 414.945 0.923 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)CC1 ZINC001164996715 722234392 /nfs/dbraw/zinc/23/43/92/722234392.db2.gz IGOCTDUNWPMCQV-UHFFFAOYSA-N 2 1 409.542 0.033 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2nccc(N4CCC([NH3+])CC4)n2)CC3)CC1 ZINC001164996808 722235308 /nfs/dbraw/zinc/23/53/08/722235308.db2.gz JUCPETWCOKGSPH-UHFFFAOYSA-N 2 1 423.569 0.551 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001164997593 722236211 /nfs/dbraw/zinc/23/62/11/722236211.db2.gz RKRKBMLSNCHHID-UHFFFAOYSA-N 2 1 408.554 0.638 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001164998093 722230818 /nfs/dbraw/zinc/23/08/18/722230818.db2.gz XFBROJTYYCWGKA-UHFFFAOYSA-N 2 1 409.542 0.033 20 0 HCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001165001074 722237768 /nfs/dbraw/zinc/23/77/68/722237768.db2.gz BDVHDWBZWJGBSV-UHFFFAOYSA-N 2 1 424.553 0.754 20 0 HCADMP C[NH+](C)CCOCc1ncn2c1CN(c1cc[nH+]c(N3CCOCC3)n1)CCC2 ZINC001165001657 722254803 /nfs/dbraw/zinc/25/48/03/722254803.db2.gz FLJITCBFPVRBTP-UHFFFAOYSA-N 2 1 401.515 0.998 20 0 HCADMP C[NH+](C)CCOCc1ncn2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)CCC2 ZINC001165003490 722257486 /nfs/dbraw/zinc/25/74/86/722257486.db2.gz FCWHAJBERVNBBJ-UHFFFAOYSA-N 2 1 414.558 0.913 20 0 HCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168735241 1081362869 /nfs/dbraw/zinc/36/28/69/1081362869.db2.gz KLIRGQYXHIENPA-HNNXBMFYSA-N 2 1 406.531 0.781 20 0 HCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168735243 1081362579 /nfs/dbraw/zinc/36/25/79/1081362579.db2.gz KLIRGQYXHIENPA-OAHLLOKOSA-N 2 1 406.531 0.781 20 0 HCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)CC1 ZINC001299265319 1079270437 /nfs/dbraw/zinc/27/04/37/1079270437.db2.gz CJGBGAPSXLNYSN-UHFFFAOYSA-N 2 1 405.547 0.470 20 0 HCADMP CN(c1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1)S(C)(=O)=O ZINC001649106298 1080010628 /nfs/dbraw/zinc/01/06/28/1080010628.db2.gz AZACGZUJYKNDTI-UHFFFAOYSA-N 2 1 404.540 0.914 20 0 HCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985552 1080059821 /nfs/dbraw/zinc/05/98/21/1080059821.db2.gz UUMBQLJAIBBGLX-BQFCYCMXSA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985552 1080059814 /nfs/dbraw/zinc/05/98/14/1080059814.db2.gz UUMBQLJAIBBGLX-BQFCYCMXSA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985554 1080059585 /nfs/dbraw/zinc/05/95/85/1080059585.db2.gz UUMBQLJAIBBGLX-JZXOWHBKSA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985554 1080059574 /nfs/dbraw/zinc/05/95/74/1080059574.db2.gz UUMBQLJAIBBGLX-JZXOWHBKSA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985556 1080059879 /nfs/dbraw/zinc/05/98/79/1080059879.db2.gz UUMBQLJAIBBGLX-LZLYRXPVSA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985556 1080059867 /nfs/dbraw/zinc/05/98/67/1080059867.db2.gz UUMBQLJAIBBGLX-LZLYRXPVSA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985559 1080059517 /nfs/dbraw/zinc/05/95/17/1080059517.db2.gz UUMBQLJAIBBGLX-XYJFISCASA-N 2 1 404.577 0.294 20 0 HCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985559 1080059508 /nfs/dbraw/zinc/05/95/08/1080059508.db2.gz UUMBQLJAIBBGLX-XYJFISCASA-N 2 1 404.577 0.294 20 0 HCADMP COc1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ccc1OCC[NH+](C)C ZINC001671018497 1080077395 /nfs/dbraw/zinc/07/73/95/1080077395.db2.gz RMVXQFNGBHWIGD-LAUBAEHRSA-N 2 1 422.526 0.983 20 0 HCADMP