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491.315 -0.235 20 0 JBADMN NS(=O)(=O)c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ccc(I)c1-c1nn[n-]n1 ZINC001163152578 1069449867 /nfs/dbraw/zinc/44/98/67/1069449867.db2.gz CIGUJNJOEBFKPY-RTHLEPHNSA-N 0 1 491.315 -0.233 20 0 JBADMN NS(=O)(=O)c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ccc(I)c1-c1nnn[n-]1 ZINC001163152578 1069449852 /nfs/dbraw/zinc/44/98/52/1069449852.db2.gz CIGUJNJOEBFKPY-RTHLEPHNSA-N 0 1 491.315 -0.233 20 0 JBADMN NS(=O)(=O)c1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc(I)c1-c1nn[n-]n1 ZINC001163196960 1069450980 /nfs/dbraw/zinc/45/09/80/1069450980.db2.gz KFLQIOJNIZHXIG-FUXBKTLASA-N 0 1 477.288 -0.339 20 0 JBADMN NS(=O)(=O)c1c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc(I)c1-c1nn[n-]n1 ZINC001163240692 1069450974 /nfs/dbraw/zinc/45/09/74/1069450974.db2.gz KNUYGRLWUSUYML-AMIZOPFISA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc(I)c1-c1nnn[n-]1 ZINC001163240692 1069450972 /nfs/dbraw/zinc/45/09/72/1069450972.db2.gz KNUYGRLWUSUYML-AMIZOPFISA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc(I)c1-c1nn[n-]n1 ZINC001163240693 1069450866 /nfs/dbraw/zinc/45/08/66/1069450866.db2.gz KNUYGRLWUSUYML-ISVAXAHUSA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc(I)c1-c1nnn[n-]1 ZINC001163240693 1069450860 /nfs/dbraw/zinc/45/08/60/1069450860.db2.gz KNUYGRLWUSUYML-ISVAXAHUSA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc(I)c1-c1nn[n-]n1 ZINC001163240694 1069450921 /nfs/dbraw/zinc/45/09/21/1069450921.db2.gz KNUYGRLWUSUYML-OQPBUACISA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc(I)c1-c1nnn[n-]1 ZINC001163240694 1069450918 /nfs/dbraw/zinc/45/09/18/1069450918.db2.gz KNUYGRLWUSUYML-OQPBUACISA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc(I)c1-c1nn[n-]n1 ZINC001163240695 1069450966 /nfs/dbraw/zinc/45/09/66/1069450966.db2.gz KNUYGRLWUSUYML-SDBXPKJASA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc(I)c1-c1nnn[n-]1 ZINC001163240695 1069450965 /nfs/dbraw/zinc/45/09/65/1069450965.db2.gz KNUYGRLWUSUYML-SDBXPKJASA-N 0 1 490.287 -0.891 20 0 JBADMN NS(=O)(=O)c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc(I)c1-c1nn[n-]n1 ZINC001163342513 1069450886 /nfs/dbraw/zinc/45/08/86/1069450886.db2.gz RGVGTHOFFOTMER-HDBBIHSSSA-N 0 1 477.288 -0.340 20 0 JBADMN NS(=O)(=O)c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc(I)c1-c1nnn[n-]1 ZINC001163342513 1069450881 /nfs/dbraw/zinc/45/08/81/1069450881.db2.gz RGVGTHOFFOTMER-HDBBIHSSSA-N 0 1 477.288 -0.340 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3CN4CCC3CC4)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001163394290 1069450720 /nfs/dbraw/zinc/45/07/20/1069450720.db2.gz FADBJUCXBCSTBB-PPVISPMTSA-N 0 1 494.501 -0.221 20 0 JBADMN NC(=O)c1nc(Cl)cnc1-n1cc(C[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)C(N)=O)c2ccccc21 ZINC001163426666 1069450931 /nfs/dbraw/zinc/45/09/31/1069450931.db2.gz CELMTEQDFWUIIE-GJZGRUSLSA-N 0 1 495.931 -0.022 20 0 JBADMN NC(=O)c1cccc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(N)=O)c3ccccc32)n1 ZINC001163427064 1069451646 /nfs/dbraw/zinc/45/16/46/1069451646.db2.gz HSLZTGLJOHMZMZ-WMZOPIPTSA-N 0 1 460.498 -0.070 20 0 JBADMN NC(=O)[C@H](Cc1cn(-c2cc(S(N)(=O)=O)ccn2)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163427071 1069451392 /nfs/dbraw/zinc/45/13/92/1069451392.db2.gz HXRFGTABDSAEKG-ROUUACIJSA-N 0 1 496.553 -0.521 20 0 JBADMN NC(=O)c1ccnc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(N)=O)c3ccccc32)n1 ZINC001163427082 1069451421 /nfs/dbraw/zinc/45/14/21/1069451421.db2.gz IGCVBCQYQNKPPT-RDJZCZTQSA-N 0 1 461.486 -0.675 20 0 JBADMN NC(=O)c1cnc(Cl)nc1-n1cc(C[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)C(N)=O)c2ccccc21 ZINC001163427197 1069451756 /nfs/dbraw/zinc/45/17/56/1069451756.db2.gz JQKKZCHQKBALKT-HOTGVXAUSA-N 0 1 495.931 -0.022 20 0 JBADMN NC(=O)c1cncc(-n2cc(C[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(N)=O)c3ccccc32)n1 ZINC001163427314 1069451703 /nfs/dbraw/zinc/45/17/03/1069451703.db2.gz 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/nfs/dbraw/zinc/55/60/66/1068556066.db2.gz OTOHKZBEKORMTL-WSIUPNEHSA-N 0 1 454.436 -0.570 20 0 JBADMN CCOC(=O)CN(CC[NH3+])c1ccc(I)c(-c2nn[n-]n2)c1S(N)(=O)=O ZINC001170994263 1068560048 /nfs/dbraw/zinc/56/00/48/1068560048.db2.gz ODLGMFVJTMUZBY-UHFFFAOYSA-N 0 1 495.303 -0.553 20 0 JBADMN CCOC(=O)CN(CC[NH3+])c1ccc(I)c(-c2nnn[n-]2)c1S(N)(=O)=O ZINC001170994263 1068560036 /nfs/dbraw/zinc/56/00/36/1068560036.db2.gz ODLGMFVJTMUZBY-UHFFFAOYSA-N 0 1 495.303 -0.553 20 0 JBADMN Cc1cn(CC(=O)NCCNc2ccc(F)c(S(=O)(=O)NCc3c[nH]nn3)c2)c(=O)[nH]c1=O ZINC001171091069 1068570822 /nfs/dbraw/zinc/57/08/22/1068570822.db2.gz NBPHNXFAEZVIAX-UHFFFAOYSA-N 0 1 480.482 -0.779 20 0 JBADMN COC(=O)[C@H]1CN(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001171240100 1068581809 /nfs/dbraw/zinc/58/18/09/1068581809.db2.gz IZUUIXVDJJDSJU-INIZCTEOSA-N 0 1 456.540 -0.305 20 0 JBADMN COC(=O)[C@@H]1CN(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001171240101 1068582146 /nfs/dbraw/zinc/58/21/46/1068582146.db2.gz IZUUIXVDJJDSJU-MRXNPFEDSA-N 0 1 456.540 -0.305 20 0 JBADMN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171243685 1068585155 /nfs/dbraw/zinc/58/51/55/1068585155.db2.gz XMMLIRMCWFTKNQ-KLVWKZEJSA-N 0 1 495.540 -0.239 20 0 JBADMN [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)[N-]c4nccs4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262061 1068594364 /nfs/dbraw/zinc/59/43/64/1068594364.db2.gz HERIXPHOCAGWDQ-JUDXGUMMSA-N 0 1 481.516 -0.949 20 0 JBADMN Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cn2)cc1 ZINC001171262237 1068594433 /nfs/dbraw/zinc/59/44/33/1068594433.db2.gz AUISIPOXLAOERR-HUYLIWGRSA-N 0 1 488.526 -0.097 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](n2cc(Nc3nccnc3CN)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001171448680 1068630794 /nfs/dbraw/zinc/63/07/94/1068630794.db2.gz LJULZYWOSWMOGE-YKTARERQSA-N 0 1 492.445 -0.735 20 0 JBADMN C[C@H](N[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001171701061 1068631836 /nfs/dbraw/zinc/63/18/36/1068631836.db2.gz GBGFNPXTIGUZFE-LXZKKBNFSA-N 0 1 491.545 -0.465 20 0 JBADMN C[C@H](N[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001171701062 1068631913 /nfs/dbraw/zinc/63/19/13/1068631913.db2.gz GBGFNPXTIGUZFE-QRTARXTBSA-N 0 1 491.545 -0.465 20 0 JBADMN COC[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001171740785 1068632482 /nfs/dbraw/zinc/63/24/82/1068632482.db2.gz HCCJJLKCEFMOHN-HZPDHXFCSA-N 0 1 455.533 -0.628 20 0 JBADMN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171868647 1068632761 /nfs/dbraw/zinc/63/27/61/1068632761.db2.gz FQEGFUGKBKGPMQ-FNQTVZJVSA-N 0 1 483.529 -0.380 20 0 JBADMN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171868648 1068632578 /nfs/dbraw/zinc/63/25/78/1068632578.db2.gz FQEGFUGKBKGPMQ-NVWDDTSBSA-N 0 1 483.529 -0.380 20 0 JBADMN CC(C)(C)OC(=O)C1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001171912279 1068632612 /nfs/dbraw/zinc/63/26/12/1068632612.db2.gz YWEBKVZTGFDPOJ-VYPDGURQSA-N 0 1 464.523 -0.174 20 0 JBADMN CCOC(=O)C1(C)CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001171939269 1068633448 /nfs/dbraw/zinc/63/34/48/1068633448.db2.gz LVCQIQGIEKOSMO-TZPIHPJUSA-N 0 1 450.496 -0.562 20 0 JBADMN CC1(C)C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974734 1068633426 /nfs/dbraw/zinc/63/34/26/1068633426.db2.gz ABUSLQJZTVMJSA-BVPSZOQCSA-N 0 1 460.549 -0.354 20 0 JBADMN CC1(C)C[C@@H](N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974741 1068633323 /nfs/dbraw/zinc/63/33/23/1068633323.db2.gz ABUSLQJZTVMJSA-DOQFWFFUSA-N 0 1 460.549 -0.354 20 0 JBADMN CC1(C)C[C@H](N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974747 1068633491 /nfs/dbraw/zinc/63/34/91/1068633491.db2.gz ABUSLQJZTVMJSA-MGYGNFHQSA-N 0 1 460.549 -0.354 20 0 JBADMN CC1(C)C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974750 1068634080 /nfs/dbraw/zinc/63/40/80/1068634080.db2.gz ABUSLQJZTVMJSA-UPGMHYFXSA-N 0 1 460.549 -0.354 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004937 1068633289 /nfs/dbraw/zinc/63/32/89/1068633289.db2.gz KDUCXMXSYHSYLV-HLLBOEOZSA-N 0 1 491.549 -0.637 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004939 1068633346 /nfs/dbraw/zinc/63/33/46/1068633346.db2.gz KDUCXMXSYHSYLV-VYDXJSESSA-N 0 1 491.549 -0.637 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004943 1068633384 /nfs/dbraw/zinc/63/33/84/1068633384.db2.gz KDUCXMXSYHSYLV-YQQAZPJKSA-N 0 1 491.549 -0.637 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004944 1068633338 /nfs/dbraw/zinc/63/33/38/1068633338.db2.gz KDUCXMXSYHSYLV-ZOBUZTSGSA-N 0 1 491.549 -0.637 20 0 JBADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cn([C@@H]2CCN(C3CC3)C(=O)C2)cn1 ZINC001172008991 1068633393 /nfs/dbraw/zinc/63/33/93/1068633393.db2.gz VYPULUOQGAWEQM-HOJAQTOUSA-N 0 1 454.531 -0.003 20 0 JBADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cn([C@H]2CCN(C3CC3)C(=O)C2)cn1 ZINC001172008992 1068633514 /nfs/dbraw/zinc/63/35/14/1068633514.db2.gz VYPULUOQGAWEQM-IHPCNDPISA-N 0 1 454.531 -0.003 20 0 JBADMN CCN1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CC1=O ZINC001172029719 1068633980 /nfs/dbraw/zinc/63/39/80/1068633980.db2.gz TUZGVLTVCVNZQP-DZKIICNBSA-N 0 1 479.538 -0.780 20 0 JBADMN CCN1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)CC1=O ZINC001172029748 1068634031 /nfs/dbraw/zinc/63/40/31/1068634031.db2.gz TUZGVLTVCVNZQP-IJEWVQPXSA-N 0 1 479.538 -0.780 20 0 JBADMN CCN1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)CC1=O ZINC001172029749 1068634108 /nfs/dbraw/zinc/63/41/08/1068634108.db2.gz TUZGVLTVCVNZQP-OFQRWUPVSA-N 0 1 479.538 -0.780 20 0 JBADMN CCN1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CC1=O ZINC001172029750 1068634139 /nfs/dbraw/zinc/63/41/39/1068634139.db2.gz TUZGVLTVCVNZQP-YCPHGPKFSA-N 0 1 479.538 -0.780 20 0 JBADMN O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067569 1068634841 /nfs/dbraw/zinc/63/48/41/1068634841.db2.gz HAOAWNAYCGAFPM-FQOJGSFKSA-N 0 1 472.560 -0.211 20 0 JBADMN O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067572 1068634992 /nfs/dbraw/zinc/63/49/92/1068634992.db2.gz HAOAWNAYCGAFPM-HKLVUYAYSA-N 0 1 472.560 -0.211 20 0 JBADMN O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067573 1068634695 /nfs/dbraw/zinc/63/46/95/1068634695.db2.gz HAOAWNAYCGAFPM-JHANCTNPSA-N 0 1 472.560 -0.211 20 0 JBADMN O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067574 1068634773 /nfs/dbraw/zinc/63/47/73/1068634773.db2.gz HAOAWNAYCGAFPM-YMEGZWINSA-N 0 1 472.560 -0.211 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2C[C@@H]3COC[C@H](C2)N3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172129353 1068634760 /nfs/dbraw/zinc/63/47/60/1068634760.db2.gz UZBOBBPFBGPVEH-PPYVMYADSA-N 0 1 486.518 -0.479 20 0 JBADMN CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(C1C[C@@H]3COC[C@H](C1)N3C)c(N)nc2=O ZINC001172130658 1068635063 /nfs/dbraw/zinc/63/50/63/1068635063.db2.gz LBEWXRQPEVJJIG-UYTSQGDYSA-N 0 1 463.539 -0.290 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN3C(=O)CC[C@@H]3C1)c(N)nc2=O ZINC001172150946 1068635861 /nfs/dbraw/zinc/63/58/61/1068635861.db2.gz QOSBGSCFXDTZIP-AESZEHBQSA-N 0 1 491.549 -0.637 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN3C(=O)CC[C@@H]3C1)c(N)nc2=O ZINC001172150949 1068635819 /nfs/dbraw/zinc/63/58/19/1068635819.db2.gz QOSBGSCFXDTZIP-AIANPOQGSA-N 0 1 491.549 -0.637 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN3C(=O)CC[C@H]3C1)c(N)nc2=O ZINC001172150951 1068635896 /nfs/dbraw/zinc/63/58/96/1068635896.db2.gz QOSBGSCFXDTZIP-IVSAIRAKSA-N 0 1 491.549 -0.637 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN3C(=O)CC[C@H]3C1)c(N)nc2=O ZINC001172150952 1068635880 /nfs/dbraw/zinc/63/58/80/1068635880.db2.gz QOSBGSCFXDTZIP-JKQORVJESA-N 0 1 491.549 -0.637 20 0 JBADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cn([C@H]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC001172166360 1068635764 /nfs/dbraw/zinc/63/57/64/1068635764.db2.gz NGOWZGCYOSAVBF-HNJRGHQBSA-N 0 1 454.531 -0.003 20 0 JBADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cn([C@@H]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC001172166361 1068635876 /nfs/dbraw/zinc/63/58/76/1068635876.db2.gz NGOWZGCYOSAVBF-JYBIWHBTSA-N 0 1 454.531 -0.003 20 0 JBADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cn([C@@H]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC001172166362 1068636392 /nfs/dbraw/zinc/63/63/92/1068636392.db2.gz NGOWZGCYOSAVBF-UMGGQSCQSA-N 0 1 454.531 -0.003 20 0 JBADMN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cn([C@H]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC001172166363 1068636174 /nfs/dbraw/zinc/63/61/74/1068636174.db2.gz NGOWZGCYOSAVBF-ZULIPRJHSA-N 0 1 454.531 -0.003 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CCN3C(=O)CC[C@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167006 1068636522 /nfs/dbraw/zinc/63/65/22/1068636522.db2.gz VPUXWNOJJNUIMA-BIPXHUIRSA-N 0 1 484.502 -0.188 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CCN3C(=O)CC[C@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167007 1068636295 /nfs/dbraw/zinc/63/62/95/1068636295.db2.gz VPUXWNOJJNUIMA-DNAOUPSLSA-N 0 1 484.502 -0.188 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CCN3C(=O)CC[C@@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167008 1068636378 /nfs/dbraw/zinc/63/63/78/1068636378.db2.gz VPUXWNOJJNUIMA-IPHURZSYSA-N 0 1 484.502 -0.188 20 0 JBADMN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CCN3C(=O)CC[C@@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167009 1068636272 /nfs/dbraw/zinc/63/62/72/1068636272.db2.gz VPUXWNOJJNUIMA-PNCFOQPXSA-N 0 1 484.502 -0.188 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)O3)c(N)nc2=O ZINC001172219662 1068636341 /nfs/dbraw/zinc/63/63/41/1068636341.db2.gz JNWUBPKSWOSEIO-AQBKWJQSSA-N 0 1 464.523 -0.081 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)O3)c(N)nc2=O ZINC001172219663 1068636449 /nfs/dbraw/zinc/63/64/49/1068636449.db2.gz JNWUBPKSWOSEIO-GWONACJQSA-N 0 1 464.523 -0.081 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H]3C=C[C@H](C1)O3)c(N)nc2=O ZINC001172228766 1068636433 /nfs/dbraw/zinc/63/64/33/1068636433.db2.gz BCQAWXLIZOSLML-AQBKWJQSSA-N 0 1 462.507 -0.305 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H]3C=C[C@H](C1)O3)c(N)nc2=O ZINC001172228777 1068636240 /nfs/dbraw/zinc/63/62/40/1068636240.db2.gz BCQAWXLIZOSLML-GWONACJQSA-N 0 1 462.507 -0.305 20 0 JBADMN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172262837 1068637005 /nfs/dbraw/zinc/63/70/05/1068637005.db2.gz MQKRLQAYVFSYMV-FGTMMUONSA-N 0 1 477.514 -0.317 20 0 JBADMN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172262838 1068637175 /nfs/dbraw/zinc/63/71/75/1068637175.db2.gz MQKRLQAYVFSYMV-OKZBNKHCSA-N 0 1 477.514 -0.317 20 0 JBADMN COC(=O)[C@H]1C[C@@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172268856 1068636978 /nfs/dbraw/zinc/63/69/78/1068636978.db2.gz VZWWIZAHOIKGEV-HCXYKTFWSA-N 0 1 488.541 -0.520 20 0 JBADMN COC(=O)[C@H]1C[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172268858 1068637098 /nfs/dbraw/zinc/63/70/98/1068637098.db2.gz VZWWIZAHOIKGEV-OKYOBFRVSA-N 0 1 488.541 -0.520 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270651 1068637088 /nfs/dbraw/zinc/63/70/88/1068637088.db2.gz FHVHQGRJBLFGGT-HZSPNIEDSA-N 0 1 452.512 -0.223 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270659 1068637110 /nfs/dbraw/zinc/63/71/10/1068637110.db2.gz FHVHQGRJBLFGGT-IHRRRGAJSA-N 0 1 452.512 -0.223 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270660 1068637038 /nfs/dbraw/zinc/63/70/38/1068637038.db2.gz FHVHQGRJBLFGGT-MELADBBJSA-N 0 1 452.512 -0.223 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270661 1068637120 /nfs/dbraw/zinc/63/71/20/1068637120.db2.gz FHVHQGRJBLFGGT-RDBSUJKOSA-N 0 1 452.512 -0.223 20 0 JBADMN COC(=O)[C@@H]1CCC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001172596412 1068637676 /nfs/dbraw/zinc/63/76/76/1068637676.db2.gz YTAILJOPKUOSRP-FXUDXRNXSA-N 0 1 494.549 -0.059 20 0 JBADMN COC(=O)[C@@H]1CCC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)C1 ZINC001172596416 1068637817 /nfs/dbraw/zinc/63/78/17/1068637817.db2.gz YTAILJOPKUOSRP-LVQVYYBASA-N 0 1 494.549 -0.059 20 0 JBADMN COC(=O)[C@@H]1CCC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001172596418 1068637735 /nfs/dbraw/zinc/63/77/35/1068637735.db2.gz YTAILJOPKUOSRP-UGUYLWEFSA-N 0 1 494.549 -0.059 20 0 JBADMN COC(=O)[C@@H]1CCC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)C1 ZINC001172596419 1068637908 /nfs/dbraw/zinc/63/79/08/1068637908.db2.gz YTAILJOPKUOSRP-WCVJEAGWSA-N 0 1 494.549 -0.059 20 0 JBADMN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670570 1068638513 /nfs/dbraw/zinc/63/85/13/1068638513.db2.gz INQYXGHLBBZAIL-CCFCVOCCSA-N 0 1 469.502 -0.883 20 0 JBADMN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670589 1068638562 /nfs/dbraw/zinc/63/85/62/1068638562.db2.gz INQYXGHLBBZAIL-LRZOEXBQSA-N 0 1 469.502 -0.883 20 0 JBADMN COC(=O)N1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc2N)CC1 ZINC001172732182 1068638848 /nfs/dbraw/zinc/63/88/48/1068638848.db2.gz KDYDDVWHOQRIPR-GJZGRUSLSA-N 0 1 495.537 -0.560 20 0 JBADMN COC(=O)N1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc2N)CC1 ZINC001172732188 1068638816 /nfs/dbraw/zinc/63/88/16/1068638816.db2.gz KDYDDVWHOQRIPR-LSDHHAIUSA-N 0 1 495.537 -0.560 20 0 JBADMN COC(=O)N1CCC(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CC1 ZINC001172733357 1068638720 /nfs/dbraw/zinc/63/87/20/1068638720.db2.gz LQTZOTWXEAETIU-LASHMREHSA-N 0 1 488.490 -0.110 20 0 JBADMN C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001172955193 1068640611 /nfs/dbraw/zinc/64/06/11/1068640611.db2.gz SUSGMJIRCYCKHY-GCXGIZPZSA-N 0 1 467.527 -0.429 20 0 JBADMN C[C@H](CCN(C)C(=O)OC(C)(C)C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001172955199 1068640602 /nfs/dbraw/zinc/64/06/02/1068640602.db2.gz SUSGMJIRCYCKHY-JZLXNPJKSA-N 0 1 467.527 -0.429 20 0 JBADMN C[C@H]1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057156 1068640638 /nfs/dbraw/zinc/64/06/38/1068640638.db2.gz MHLXUBGACMRYCP-CHDCVOSJSA-N 0 1 479.538 -0.286 20 0 JBADMN C[C@@H]1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057166 1068640502 /nfs/dbraw/zinc/64/05/02/1068640502.db2.gz MHLXUBGACMRYCP-NVZKKKRGSA-N 0 1 479.538 -0.286 20 0 JBADMN C[C@H]1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057169 1068640645 /nfs/dbraw/zinc/64/06/45/1068640645.db2.gz MHLXUBGACMRYCP-RGFYEGLYSA-N 0 1 479.538 -0.286 20 0 JBADMN C[C@@H]1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057171 1068641639 /nfs/dbraw/zinc/64/16/39/1068641639.db2.gz MHLXUBGACMRYCP-RJQJLZBDSA-N 0 1 479.538 -0.286 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169543 1068641449 /nfs/dbraw/zinc/64/14/49/1068641449.db2.gz TYGBCOVAAOXEER-AJNGGQMLSA-N 0 1 452.512 -0.223 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169544 1068641175 /nfs/dbraw/zinc/64/11/75/1068641175.db2.gz TYGBCOVAAOXEER-LJISPDSOSA-N 0 1 452.512 -0.223 20 0 JBADMN CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169545 1068641582 /nfs/dbraw/zinc/64/15/82/1068641582.db2.gz TYGBCOVAAOXEER-XGUBFFRZSA-N 0 1 452.512 -0.223 20 0 JBADMN CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169546 1068641687 /nfs/dbraw/zinc/64/16/87/1068641687.db2.gz TYGBCOVAAOXEER-ZQDZILKHSA-N 0 1 452.512 -0.223 20 0 JBADMN COc1ccc(C(=O)N2CCC(N[C@H]3[C@H](n4ccc(=O)[nH]c4=O)O[C@H](CO)[C@H]3O)CC2)cc1 ZINC001173402171 1068643113 /nfs/dbraw/zinc/64/31/13/1068643113.db2.gz POOJPSYYPACUOG-XLBJILASSA-N 0 1 460.487 -0.529 20 0 JBADMN O=C(CN1CCC(N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1)OCc1ccccc1 ZINC001173464116 1068643211 /nfs/dbraw/zinc/64/32/11/1068643211.db2.gz UFQNDZMGDBIJPX-BRKWEVRTSA-N 0 1 474.514 -0.635 20 0 JBADMN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173497194 1068643012 /nfs/dbraw/zinc/64/30/12/1068643012.db2.gz RPAYTZQCEBUZHQ-DLBZAZTESA-N 0 1 462.503 -0.782 20 0 JBADMN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173497201 1068643162 /nfs/dbraw/zinc/64/31/62/1068643162.db2.gz RPAYTZQCEBUZHQ-IAGOWNOFSA-N 0 1 462.503 -0.782 20 0 JBADMN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173497204 1068643027 /nfs/dbraw/zinc/64/30/27/1068643027.db2.gz RPAYTZQCEBUZHQ-IRXDYDNUSA-N 0 1 462.503 -0.782 20 0 JBADMN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173497207 1068642898 /nfs/dbraw/zinc/64/28/98/1068642898.db2.gz RPAYTZQCEBUZHQ-SJORKVTESA-N 0 1 462.503 -0.782 20 0 JBADMN COC(=O)[C@H]1C[C@H](N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173510508 1068643709 /nfs/dbraw/zinc/64/37/09/1068643709.db2.gz UWFABPXYKQNPCP-CLAROIROSA-N 0 1 496.564 -0.004 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173510513 1068643943 /nfs/dbraw/zinc/64/39/43/1068643943.db2.gz UWFABPXYKQNPCP-CMOCDZPBSA-N 0 1 496.564 -0.004 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173510516 1068644668 /nfs/dbraw/zinc/64/46/68/1068644668.db2.gz UWFABPXYKQNPCP-MLNNCEHLSA-N 0 1 496.564 -0.004 20 0 JBADMN COC(=O)[C@H]1C[C@@H](N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173510519 1068644720 /nfs/dbraw/zinc/64/47/20/1068644720.db2.gz UWFABPXYKQNPCP-MYGLTJDJSA-N 0 1 496.564 -0.004 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574910 1068645889 /nfs/dbraw/zinc/64/58/89/1068645889.db2.gz HXNIKUXAPPWXHG-FCQWJQKHSA-N 0 1 461.519 -0.200 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574914 1068645682 /nfs/dbraw/zinc/64/56/82/1068645682.db2.gz HXNIKUXAPPWXHG-OQYZPLRDSA-N 0 1 461.519 -0.200 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574916 1068645571 /nfs/dbraw/zinc/64/55/71/1068645571.db2.gz HXNIKUXAPPWXHG-PBWVOLNLSA-N 0 1 461.519 -0.200 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574917 1068645874 /nfs/dbraw/zinc/64/58/74/1068645874.db2.gz HXNIKUXAPPWXHG-YDGKCNFYSA-N 0 1 461.519 -0.200 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)C[C@@H]1C(=O)OC ZINC001173575350 1068645415 /nfs/dbraw/zinc/64/54/15/1068645415.db2.gz KCFYJPYWLXYSEC-DBHNTLKXSA-N 0 1 485.603 -0.067 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)C[C@@H]1C(=O)OC ZINC001173575353 1068645599 /nfs/dbraw/zinc/64/55/99/1068645599.db2.gz KCFYJPYWLXYSEC-FSTVOOFJSA-N 0 1 485.603 -0.067 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)C[C@@H]1C(=O)OC ZINC001173575355 1068645894 /nfs/dbraw/zinc/64/58/94/1068645894.db2.gz KCFYJPYWLXYSEC-GEYWLOKFSA-N 0 1 485.603 -0.067 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)C[C@@H]1C(=O)OC ZINC001173575356 1068645782 /nfs/dbraw/zinc/64/57/82/1068645782.db2.gz KCFYJPYWLXYSEC-MPWIWIEXSA-N 0 1 485.603 -0.067 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C[C@@H]1C(=O)OC ZINC001173579268 1068646428 /nfs/dbraw/zinc/64/64/28/1068646428.db2.gz ZRHHKSKYLTUGHX-KHHDSSOXSA-N 0 1 472.560 -0.679 20 0 JBADMN COC(=O)[C@@H]1C[C@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C[C@@H]1C(=O)OC ZINC001173579280 1068646614 /nfs/dbraw/zinc/64/66/14/1068646614.db2.gz ZRHHKSKYLTUGHX-OOOWVJFSSA-N 0 1 472.560 -0.679 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C[C@@H]1C(=O)OC ZINC001173579282 1068646290 /nfs/dbraw/zinc/64/62/90/1068646290.db2.gz ZRHHKSKYLTUGHX-PDCGBLAGSA-N 0 1 472.560 -0.679 20 0 JBADMN COC(=O)[C@@H]1C[C@@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C[C@@H]1C(=O)OC ZINC001173579284 1068646451 /nfs/dbraw/zinc/64/64/51/1068646451.db2.gz ZRHHKSKYLTUGHX-SJUNHDGSSA-N 0 1 472.560 -0.679 20 0 JBADMN CCOC(=O)[C@@H]1CC12CCC(n1c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc1N)CC2 ZINC001173605886 1068647228 /nfs/dbraw/zinc/64/72/28/1068647228.db2.gz ZSWFRLKQDRTKRQ-DJJBKBGWSA-N 0 1 462.507 -0.562 20 0 JBADMN 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/nfs/dbraw/zinc/85/67/50/1069856750.db2.gz VUGXMQTWNPVRCV-INIZCTEOSA-N 0 1 481.627 -0.141 20 0 JBADMN CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001288228744 1069856903 /nfs/dbraw/zinc/85/69/03/1069856903.db2.gz VUGXMQTWNPVRCV-MRXNPFEDSA-N 0 1 481.627 -0.141 20 0 JBADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001288650765 1069867824 /nfs/dbraw/zinc/86/78/24/1069867824.db2.gz BMDCZAFEDYRIHV-BRWVUGGUSA-N 0 1 467.640 -0.081 20 0 JBADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001288650768 1069867900 /nfs/dbraw/zinc/86/79/00/1069867900.db2.gz BMDCZAFEDYRIHV-IKGGRYGDSA-N 0 1 467.640 -0.081 20 0 JBADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001288650772 1069868076 /nfs/dbraw/zinc/86/80/76/1069868076.db2.gz BMDCZAFEDYRIHV-IXDOHACOSA-N 0 1 467.640 -0.081 20 0 JBADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001288650776 1069867757 /nfs/dbraw/zinc/86/77/57/1069867757.db2.gz BMDCZAFEDYRIHV-ZACQAIPSSA-N 0 1 467.640 -0.081 20 0 JBADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)N(C)C ZINC001288653810 1069867863 /nfs/dbraw/zinc/86/78/63/1069867863.db2.gz XHGGJQQGRPHUFO-BMFZPTHFSA-N 0 1 467.596 -0.103 20 0 JBADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)N(C)C ZINC001288653811 1069869583 /nfs/dbraw/zinc/86/95/83/1069869583.db2.gz XHGGJQQGRPHUFO-FVQBIDKESA-N 0 1 467.596 -0.103 20 0 JBADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)N(C)C ZINC001288653812 1069869443 /nfs/dbraw/zinc/86/94/43/1069869443.db2.gz XHGGJQQGRPHUFO-KBMXLJTQSA-N 0 1 467.596 -0.103 20 0 JBADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)N(C)C ZINC001288653813 1069868529 /nfs/dbraw/zinc/86/85/29/1069868529.db2.gz XHGGJQQGRPHUFO-VNQPRFMTSA-N 0 1 467.596 -0.103 20 0 JBADMN C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N(C)C ZINC001288653855 1069869058 /nfs/dbraw/zinc/86/90/58/1069869058.db2.gz XOHDCTHRMCNCCR-FPCVCCKLSA-N 0 1 480.657 -0.181 20 0 JBADMN C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)N(C)C ZINC001288654007 1069868577 /nfs/dbraw/zinc/86/85/77/1069868577.db2.gz XOHDCTHRMCNCCR-QXSJWSMHSA-N 0 1 480.657 -0.181 20 0 JBADMN C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N(C)C ZINC001288654010 1069869292 /nfs/dbraw/zinc/86/92/92/1069869292.db2.gz XOHDCTHRMCNCCR-UGUYLWEFSA-N 0 1 480.657 -0.181 20 0 JBADMN C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N(C)C ZINC001288654013 1069868853 /nfs/dbraw/zinc/86/88/53/1069868853.db2.gz XOHDCTHRMCNCCR-WCVJEAGWSA-N 0 1 480.657 -0.181 20 0 JBADMN C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)CN1CCOCC1 ZINC001288708936 1069870455 /nfs/dbraw/zinc/87/04/55/1069870455.db2.gz GZSBKSLQIHFFRR-INIZCTEOSA-N 0 1 450.569 -0.215 20 0 JBADMN C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)CN1CCOCC1 ZINC001288708937 1069870218 /nfs/dbraw/zinc/87/02/18/1069870218.db2.gz GZSBKSLQIHFFRR-MRXNPFEDSA-N 0 1 450.569 -0.215 20 0 JBADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 ZINC001288733914 1069871439 /nfs/dbraw/zinc/87/14/39/1069871439.db2.gz AAYUNLAYZWUHDU-CVEARBPZSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 ZINC001288733915 1069871136 /nfs/dbraw/zinc/87/11/36/1069871136.db2.gz AAYUNLAYZWUHDU-HOTGVXAUSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 ZINC001288733916 1069870902 /nfs/dbraw/zinc/87/09/02/1069870902.db2.gz AAYUNLAYZWUHDU-HZPDHXFCSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 ZINC001288733917 1069871331 /nfs/dbraw/zinc/87/13/31/1069871331.db2.gz AAYUNLAYZWUHDU-JKSUJKDBSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@]1(O)CCOC1 ZINC001288855019 1069889182 /nfs/dbraw/zinc/88/91/82/1069889182.db2.gz CQRXLSOSIABYRY-HLIPFELVSA-N 0 1 472.612 -0.412 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@]1(O)CCOC1 ZINC001288855020 1069888874 /nfs/dbraw/zinc/88/88/74/1069888874.db2.gz CQRXLSOSIABYRY-MBOZVWFJSA-N 0 1 472.612 -0.412 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@]1(O)CCOC1 ZINC001288855021 1069889142 /nfs/dbraw/zinc/88/91/42/1069889142.db2.gz CQRXLSOSIABYRY-QKLQHJQFSA-N 0 1 472.612 -0.412 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@]1(O)CCOC1 ZINC001288855022 1069889366 /nfs/dbraw/zinc/88/93/66/1069889366.db2.gz CQRXLSOSIABYRY-SQGPQFPESA-N 0 1 472.612 -0.412 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001288855716 1069889430 /nfs/dbraw/zinc/88/94/30/1069889430.db2.gz IDYLODXIIQQBHU-IXDOHACOSA-N 0 1 469.612 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1 486.639 -0.023 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001288857055 1069892214 /nfs/dbraw/zinc/89/22/14/1069892214.db2.gz SIEQNGTZRPVNFE-CABCVRRESA-N 0 1 493.581 -0.182 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001288857056 1069892059 /nfs/dbraw/zinc/89/20/59/1069892059.db2.gz SIEQNGTZRPVNFE-GJZGRUSLSA-N 0 1 493.581 -0.182 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H]1COCCO1 ZINC001288857267 1069892120 /nfs/dbraw/zinc/89/21/20/1069892120.db2.gz URBXFWFDAAFLOE-KZNAEPCWSA-N 0 1 472.612 -0.148 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H]1COCCO1 ZINC001288857268 1069891972 /nfs/dbraw/zinc/89/19/72/1069891972.db2.gz URBXFWFDAAFLOE-RCCFBDPRSA-N 0 1 472.612 -0.148 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001288857323 1069891813 /nfs/dbraw/zinc/89/18/13/1069891813.db2.gz VQCMSUIAXIDVAW-QZTJIDSGSA-N 0 1 499.638 -0.704 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001288857324 1069891724 /nfs/dbraw/zinc/89/17/24/1069891724.db2.gz VQCMSUIAXIDVAW-ZWKOTPCHSA-N 0 1 499.638 -0.704 20 0 JBADMN CC(C)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001288860699 1069894587 /nfs/dbraw/zinc/89/45/87/1069894587.db2.gz SVNHLBMVBMTEHJ-HNNXBMFYSA-N 0 1 463.630 -0.546 20 0 JBADMN CC(C)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001288860700 1069894485 /nfs/dbraw/zinc/89/44/85/1069894485.db2.gz SVNHLBMVBMTEHJ-OAHLLOKOSA-N 0 1 463.630 -0.546 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001288862588 1069897896 /nfs/dbraw/zinc/89/78/96/1069897896.db2.gz JWOFVWMUOSFTFU-AWEZNQCLSA-N 0 1 463.630 -0.546 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001288862589 1069897581 /nfs/dbraw/zinc/89/75/81/1069897581.db2.gz JWOFVWMUOSFTFU-CQSZACIVSA-N 0 1 463.630 -0.546 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001288863899 1069900230 /nfs/dbraw/zinc/90/02/30/1069900230.db2.gz UJEMRJPQPDPOSB-HNNXBMFYSA-N 0 1 490.652 -0.498 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001288863900 1069900260 /nfs/dbraw/zinc/90/02/60/1069900260.db2.gz UJEMRJPQPDPOSB-OAHLLOKOSA-N 0 1 490.652 -0.498 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001288867669 1069900878 /nfs/dbraw/zinc/90/08/78/1069900878.db2.gz ATICFGTUIYYMIR-HNNXBMFYSA-N 0 1 469.612 -0.298 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC3CC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001288867670 1069900844 /nfs/dbraw/zinc/90/08/44/1069900844.db2.gz ATICFGTUIYYMIR-OAHLLOKOSA-N 0 1 469.612 -0.298 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@H](c1ccco1)N(C)C ZINC001288868275 1069901562 /nfs/dbraw/zinc/90/15/62/1069901562.db2.gz DANZEGCMYRJYRJ-KKUMJFAQSA-N 0 1 466.568 -0.002 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@H](c1ccco1)N(C)C ZINC001288868276 1069901513 /nfs/dbraw/zinc/90/15/13/1069901513.db2.gz DANZEGCMYRJYRJ-RRFJBIMHSA-N 0 1 466.568 -0.002 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@H](c1ccco1)N(C)C ZINC001288868277 1069901578 /nfs/dbraw/zinc/90/15/78/1069901578.db2.gz DANZEGCMYRJYRJ-SOUVJXGZSA-N 0 1 466.568 -0.002 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@H](c1ccco1)N(C)C ZINC001288868278 1069901533 /nfs/dbraw/zinc/90/15/33/1069901533.db2.gz DANZEGCMYRJYRJ-ZNMIVQPWSA-N 0 1 466.568 -0.002 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868951 1069902141 /nfs/dbraw/zinc/90/21/41/1069902141.db2.gz FELRCWAGOOTFQB-CVEARBPZSA-N 0 1 478.641 -0.376 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868952 1069902244 /nfs/dbraw/zinc/90/22/44/1069902244.db2.gz FELRCWAGOOTFQB-HOTGVXAUSA-N 0 1 478.641 -0.376 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868953 1069902313 /nfs/dbraw/zinc/90/23/13/1069902313.db2.gz FELRCWAGOOTFQB-HZPDHXFCSA-N 0 1 478.641 -0.376 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868954 1069902325 /nfs/dbraw/zinc/90/23/25/1069902325.db2.gz FELRCWAGOOTFQB-JKSUJKDBSA-N 0 1 478.641 -0.376 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCN1CC=CCC1 ZINC001288870107 1069903561 /nfs/dbraw/zinc/90/35/61/1069903561.db2.gz LYEMNGIICHJNGS-HOTGVXAUSA-N 0 1 475.641 -0.380 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCN1CC=CCC1 ZINC001288870109 1069904393 /nfs/dbraw/zinc/90/43/93/1069904393.db2.gz LYEMNGIICHJNGS-JKSUJKDBSA-N 0 1 475.641 -0.380 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN1CCSCC1 ZINC001288882684 1069909777 /nfs/dbraw/zinc/90/97/77/1069909777.db2.gz BWJCYLGCYYMPCR-HRCADAONSA-N 0 1 471.653 -0.006 20 0 JBADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN1CCSCC1 ZINC001288882685 1069909833 /nfs/dbraw/zinc/90/98/33/1069909833.db2.gz BWJCYLGCYYMPCR-OWCLPIDISA-N 0 1 471.653 -0.006 20 0 JBADMN Cc1nnc(CCn2c(C(=O)N3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)[nH]1 ZINC001290447992 1069918552 /nfs/dbraw/zinc/91/85/52/1069918552.db2.gz VZKZGJZTLQMIEZ-UHFFFAOYSA-N 0 1 451.557 -0.345 20 0 JBADMN Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 ZINC001290447992 1069918546 /nfs/dbraw/zinc/91/85/46/1069918546.db2.gz VZKZGJZTLQMIEZ-UHFFFAOYSA-N 0 1 451.557 -0.345 20 0 JBADMN Cc1nnc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)[nH]1 ZINC001290457917 1069918403 /nfs/dbraw/zinc/91/84/03/1069918403.db2.gz WOHNPOJPZGCHMH-CABCVRRESA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1n[nH]c(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001290457917 1069918400 /nfs/dbraw/zinc/91/84/00/1069918400.db2.gz WOHNPOJPZGCHMH-CABCVRRESA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1nnc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)[nH]1 ZINC001290457921 1069918443 /nfs/dbraw/zinc/91/84/43/1069918443.db2.gz WOHNPOJPZGCHMH-GJZGRUSLSA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1n[nH]c(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001290457921 1069918441 /nfs/dbraw/zinc/91/84/41/1069918441.db2.gz WOHNPOJPZGCHMH-GJZGRUSLSA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1nnc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)[nH]1 ZINC001290457922 1069918360 /nfs/dbraw/zinc/91/83/60/1069918360.db2.gz WOHNPOJPZGCHMH-HUUCEWRRSA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1n[nH]c(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001290457922 1069918353 /nfs/dbraw/zinc/91/83/53/1069918353.db2.gz WOHNPOJPZGCHMH-HUUCEWRRSA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1nnc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)[nH]1 ZINC001290457924 1069918519 /nfs/dbraw/zinc/91/85/19/1069918519.db2.gz WOHNPOJPZGCHMH-LSDHHAIUSA-N 0 1 454.557 -0.247 20 0 JBADMN Cc1n[nH]c(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001290457924 1069918513 /nfs/dbraw/zinc/91/85/13/1069918513.db2.gz WOHNPOJPZGCHMH-LSDHHAIUSA-N 0 1 454.557 -0.247 20 0 JBADMN CN1CCN(c2cc(C(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)ccn2)CC1 ZINC001290817908 1069923805 /nfs/dbraw/zinc/92/38/05/1069923805.db2.gz NHDORIRYQHZADL-UHFFFAOYSA-N 0 1 451.597 -0.917 20 0 JBADMN C[C@@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291137938 1069929174 /nfs/dbraw/zinc/92/91/74/1069929174.db2.gz AAMAZKSRGMEQMW-BRWVUGGUSA-N 0 1 490.652 -0.281 20 0 JBADMN C[C@@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291137939 1069929021 /nfs/dbraw/zinc/92/90/21/1069929021.db2.gz AAMAZKSRGMEQMW-IKGGRYGDSA-N 0 1 490.652 -0.281 20 0 JBADMN C[C@@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291137940 1069929073 /nfs/dbraw/zinc/92/90/73/1069929073.db2.gz AAMAZKSRGMEQMW-IXDOHACOSA-N 0 1 490.652 -0.281 20 0 JBADMN C[C@@H]1CCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291137941 1069929274 /nfs/dbraw/zinc/92/92/74/1069929274.db2.gz AAMAZKSRGMEQMW-ZACQAIPSSA-N 0 1 490.652 -0.281 20 0 JBADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C ZINC001291138536 1069929261 /nfs/dbraw/zinc/92/92/61/1069929261.db2.gz LSEVEFJUQAEXAI-BRWVUGGUSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C ZINC001291138537 1069929136 /nfs/dbraw/zinc/92/91/36/1069929136.db2.gz LSEVEFJUQAEXAI-IKGGRYGDSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C ZINC001291138538 1069929243 /nfs/dbraw/zinc/92/92/43/1069929243.db2.gz LSEVEFJUQAEXAI-IXDOHACOSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C ZINC001291138539 1069928913 /nfs/dbraw/zinc/92/89/13/1069928913.db2.gz LSEVEFJUQAEXAI-ZACQAIPSSA-N 0 1 492.668 -0.035 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001291287992 1069935868 /nfs/dbraw/zinc/93/58/68/1069935868.db2.gz LITAFWWRMAQHPX-FZKCQIBNSA-N 0 1 457.601 -0.301 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001291287993 1069935790 /nfs/dbraw/zinc/93/57/90/1069935790.db2.gz LITAFWWRMAQHPX-LVQVYYBASA-N 0 1 457.601 -0.301 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001291287994 1069935774 /nfs/dbraw/zinc/93/57/74/1069935774.db2.gz LITAFWWRMAQHPX-WCVJEAGWSA-N 0 1 457.601 -0.301 20 0 JBADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001291287995 1069936503 /nfs/dbraw/zinc/93/65/03/1069936503.db2.gz LITAFWWRMAQHPX-XUWVNRHRSA-N 0 1 457.601 -0.301 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC001291290448 1069936526 /nfs/dbraw/zinc/93/65/26/1069936526.db2.gz ABTJSHORZMNHIV-BZUAXINKSA-N 0 1 457.601 -0.286 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC001291290449 1069936332 /nfs/dbraw/zinc/93/63/32/1069936332.db2.gz ABTJSHORZMNHIV-OAGGEKHMSA-N 0 1 457.601 -0.286 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001291290450 1069936372 /nfs/dbraw/zinc/93/63/72/1069936372.db2.gz ABTJSHORZMNHIV-OWCLPIDISA-N 0 1 457.601 -0.286 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001291290451 1069936518 /nfs/dbraw/zinc/93/65/18/1069936518.db2.gz ABTJSHORZMNHIV-XHSDSOJGSA-N 0 1 457.601 -0.286 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001291290867 1069936460 /nfs/dbraw/zinc/93/64/60/1069936460.db2.gz HDPCIYNGZTUOJX-FGTMMUONSA-N 0 1 499.638 -0.611 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001291290868 1069936476 /nfs/dbraw/zinc/93/64/76/1069936476.db2.gz HDPCIYNGZTUOJX-KSZLIROESA-N 0 1 499.638 -0.611 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001291290869 1069936420 /nfs/dbraw/zinc/93/64/20/1069936420.db2.gz HDPCIYNGZTUOJX-KURKYZTESA-N 0 1 499.638 -0.611 20 0 JBADMN C[C@@H]1CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001291290870 1069936395 /nfs/dbraw/zinc/93/63/95/1069936395.db2.gz HDPCIYNGZTUOJX-KZNAEPCWSA-N 0 1 499.638 -0.611 20 0 JBADMN CCn1cc(-c2[nH]ncc2C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001291778249 1069943864 /nfs/dbraw/zinc/94/38/64/1069943864.db2.gz RPFSUPLTZRPZMJ-AWEZNQCLSA-N 0 1 456.550 -0.432 20 0 JBADMN CCn1cc(-c2[nH]ncc2C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC001291778250 1069943897 /nfs/dbraw/zinc/94/38/97/1069943897.db2.gz RPFSUPLTZRPZMJ-CQSZACIVSA-N 0 1 456.550 -0.432 20 0 JBADMN CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001292222901 1069950053 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