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CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000410376925 1070396955 /nfs/dbraw/zinc/39/69/55/1070396955.db2.gz YVONGPBYZJJWGZ-UHFFFAOYSA-N 1 0 453.609 0.931 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000410377358 1070396495 /nfs/dbraw/zinc/39/64/95/1070396495.db2.gz AEEMHLHJXGRRAN-UHFFFAOYSA-N 1 0 459.572 0.928 20 0 JCADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccccn3)c2)CC1 ZINC000410377828 1070398115 /nfs/dbraw/zinc/39/81/15/1070398115.db2.gz IFQQSYCQOIXJND-UHFFFAOYSA-N 1 0 488.614 0.547 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000410379356 1070397670 /nfs/dbraw/zinc/39/76/70/1070397670.db2.gz FZGTVWBCBQINJJ-UHFFFAOYSA-N 1 0 493.561 0.771 20 0 JCADRO C[NH+](C)CCOc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000410380632 1070397083 /nfs/dbraw/zinc/39/70/83/1070397083.db2.gz HBNHGNKKCYRRMR-UHFFFAOYSA-N 1 0 490.630 0.973 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000410380821 1070397409 /nfs/dbraw/zinc/39/74/09/1070397409.db2.gz KHCNGVVEVZGKFU-UHFFFAOYSA-N 1 0 472.658 0.669 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000410382098 1070397288 /nfs/dbraw/zinc/39/72/88/1070397288.db2.gz YPRXBDYCVKPIRO-UHFFFAOYSA-N 1 0 475.571 0.631 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000410385025 1070397767 /nfs/dbraw/zinc/39/77/67/1070397767.db2.gz AGJHVSQZKPSNIU-UHFFFAOYSA-N 1 0 489.598 0.940 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000410385283 1070397800 /nfs/dbraw/zinc/39/78/00/1070397800.db2.gz IQNDYMSBOJZCFY-JOCHJYFZSA-N 1 0 481.553 0.625 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000410385292 1070397918 /nfs/dbraw/zinc/39/79/18/1070397918.db2.gz IQNDYMSBOJZCFY-QFIPXVFZSA-N 1 0 481.553 0.625 20 0 JCADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000410387056 1070397748 /nfs/dbraw/zinc/39/77/48/1070397748.db2.gz HDCMCICQLQSYIX-UHFFFAOYSA-N 1 0 479.559 0.535 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000410391150 1070399001 /nfs/dbraw/zinc/39/90/01/1070399001.db2.gz KOWASKSWRIEMOO-UHFFFAOYSA-N 1 0 454.618 0.758 20 0 JCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)c(C)c2)CC1 ZINC000410393336 1070398437 /nfs/dbraw/zinc/39/84/37/1070398437.db2.gz VVBZBEVBYDHDOQ-UHFFFAOYSA-N 1 0 483.660 0.570 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000410394635 1070398310 /nfs/dbraw/zinc/39/83/10/1070398310.db2.gz COOJHRMVKJJBFA-UHFFFAOYSA-N 1 0 459.572 0.845 20 0 JCADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000410395386 1070398247 /nfs/dbraw/zinc/39/82/47/1070398247.db2.gz OTJDMTXDCGFZSC-UHFFFAOYSA-N 1 0 479.559 0.535 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000410395495 1070399021 /nfs/dbraw/zinc/39/90/21/1070399021.db2.gz PMMPBTQYWQJIKI-UHFFFAOYSA-N 1 0 486.685 0.711 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000410396555 1070397865 /nfs/dbraw/zinc/39/78/65/1070397865.db2.gz DETLRLZSKYMSBJ-UHFFFAOYSA-N 1 0 468.558 0.881 20 0 JCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000410398047 1070400026 /nfs/dbraw/zinc/40/00/26/1070400026.db2.gz KSEUVWRWIROJJF-KDURUIRLSA-N 1 0 483.635 0.808 20 0 JCADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000410398048 1070399826 /nfs/dbraw/zinc/39/98/26/1070399826.db2.gz KSEUVWRWIROJJF-OALUTQOASA-N 1 0 483.635 0.808 20 0 JCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)CC2)C[C@@H](C)O1 ZINC000410398049 1070400652 /nfs/dbraw/zinc/40/06/52/1070400652.db2.gz KSEUVWRWIROJJF-RTBURBONSA-N 1 0 483.635 0.808 20 0 JCADRO 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C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)CC2)C[C@H](C)O1 ZINC000410411828 1070402362 /nfs/dbraw/zinc/40/23/62/1070402362.db2.gz VBQHJMLPJFODQW-KDURUIRLSA-N 1 0 483.635 0.808 20 0 JCADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)CC2)C[C@H](C)O1 ZINC000410411829 1070402438 /nfs/dbraw/zinc/40/24/38/1070402438.db2.gz VBQHJMLPJFODQW-OALUTQOASA-N 1 0 483.635 0.808 20 0 JCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)CC2)C[C@@H](C)O1 ZINC000410411830 1070402271 /nfs/dbraw/zinc/40/22/71/1070402271.db2.gz VBQHJMLPJFODQW-RTBURBONSA-N 1 0 483.635 0.808 20 0 JCADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)CC1 ZINC000410412105 1070401525 /nfs/dbraw/zinc/40/15/25/1070401525.db2.gz ZAPJPSKZWINBFT-UHFFFAOYSA-N 1 0 488.614 0.547 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)cc2)CC1 ZINC000410412454 1070402545 /nfs/dbraw/zinc/40/25/45/1070402545.db2.gz CRUZRAUHIKFZDJ-UHFFFAOYSA-N 1 0 483.660 0.257 20 0 JCADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000410419636 1070403297 /nfs/dbraw/zinc/40/32/97/1070403297.db2.gz PZSDNIWMZLRCJS-UHFFFAOYSA-N 1 0 475.571 0.631 20 0 JCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000410420692 1070403214 /nfs/dbraw/zinc/40/32/14/1070403214.db2.gz SDMHEYWZMYWWCW-UHFFFAOYSA-N 1 0 463.560 0.869 20 0 JCADRO CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)CC1 ZINC000410422621 1070402240 /nfs/dbraw/zinc/40/22/40/1070402240.db2.gz YOHHLBOPOUFEKG-UHFFFAOYSA-N 1 0 452.559 0.998 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000410422666 1070403247 /nfs/dbraw/zinc/40/32/47/1070403247.db2.gz YRHMKEZGJFCUPI-UHFFFAOYSA-N 1 0 495.671 0.652 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C(=O)NC2CCC2)CC1 ZINC000410422685 1070403342 /nfs/dbraw/zinc/40/33/42/1070403342.db2.gz YTRAQXOJTAPVAW-UHFFFAOYSA-N 1 0 479.603 0.457 20 0 JCADRO 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C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)ccc2oc1=O ZINC000483135906 1070220037 /nfs/dbraw/zinc/22/00/37/1070220037.db2.gz NWTCJXIOWVPVEB-UHFFFAOYSA-N 1 0 452.515 0.834 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)ccc2oc1=O ZINC000483162315 1070220066 /nfs/dbraw/zinc/22/00/66/1070220066.db2.gz FRUKZJBBWAVXQH-NRFANRHFSA-N 1 0 494.552 0.465 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)ccc2oc1=O ZINC000483162316 1070219858 /nfs/dbraw/zinc/21/98/58/1070219858.db2.gz FRUKZJBBWAVXQH-OAQYLSRUSA-N 1 0 494.552 0.465 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC(C(=O)N4CCCC4)CC3)ccc2oc1=O ZINC000483164820 1070220677 /nfs/dbraw/zinc/22/06/77/1070220677.db2.gz PWWZUZULQPSLLF-UHFFFAOYSA-N 1 0 457.531 0.956 20 0 JCADRO COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000483251301 1070220399 /nfs/dbraw/zinc/22/03/99/1070220399.db2.gz HHKNWEAEQUIGIX-UHFFFAOYSA-N 1 0 469.498 0.649 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)ccc2oc1=O ZINC000483252538 1070220595 /nfs/dbraw/zinc/22/05/95/1070220595.db2.gz MHLLVVCJDVFVCF-INIZCTEOSA-N 1 0 453.503 0.670 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)ccc2oc1=O ZINC000483252539 1070221215 /nfs/dbraw/zinc/22/12/15/1070221215.db2.gz MHLLVVCJDVFVCF-MRXNPFEDSA-N 1 0 453.503 0.670 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc2oc1=O ZINC000483295410 1070221420 /nfs/dbraw/zinc/22/14/20/1070221420.db2.gz FFPXBLNTYSMQON-UHFFFAOYSA-N 1 0 466.498 0.474 20 0 JCADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)CC2)CC1 ZINC000483300048 1070221367 /nfs/dbraw/zinc/22/13/67/1070221367.db2.gz PGPUOPSBGQYXMK-UHFFFAOYSA-N 1 0 486.573 0.107 20 0 JCADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483325334 1070221396 /nfs/dbraw/zinc/22/13/96/1070221396.db2.gz NOELDUCNUQKMKC-UHFFFAOYSA-N 1 0 481.575 0.415 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCC(C(=O)Nc4nncs4)CC3)cc21 ZINC000483330762 1070221472 /nfs/dbraw/zinc/22/14/72/1070221472.db2.gz BZZUPKLGSQGCNU-UHFFFAOYSA-N 1 0 487.542 0.823 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCc3cccc(S(N)(=O)=O)c3)ccc2oc1=O ZINC000483405019 1070222128 /nfs/dbraw/zinc/22/21/28/1070222128.db2.gz UXXHTFGZAOXAOE-UHFFFAOYSA-N 1 0 461.500 0.058 20 0 JCADRO CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483430292 1070222713 /nfs/dbraw/zinc/22/27/13/1070222713.db2.gz MHEWXSXQQTZYPZ-UHFFFAOYSA-N 1 0 467.548 0.025 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)ccc2oc1=O ZINC000483471534 1070223046 /nfs/dbraw/zinc/22/30/46/1070223046.db2.gz FODJAZIMBFEXIV-UHFFFAOYSA-N 1 0 486.573 0.251 20 0 JCADRO Cn1c2nc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3)ccc2c(=O)n(C)c1=O ZINC000483492762 1070223631 /nfs/dbraw/zinc/22/36/31/1070223631.db2.gz FKCXGEMUFQZNJL-HNNXBMFYSA-N 1 0 450.499 0.582 20 0 JCADRO Cn1c2nc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)ccc2c(=O)n(C)c1=O ZINC000483492765 1070223714 /nfs/dbraw/zinc/22/37/14/1070223714.db2.gz FKCXGEMUFQZNJL-OAHLLOKOSA-N 1 0 450.499 0.582 20 0 JCADRO Cn1c2ncc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3)cc2c(=O)n(C)c1=O ZINC000483493945 1070223521 /nfs/dbraw/zinc/22/35/21/1070223521.db2.gz IGFGIMARNIICLJ-HNNXBMFYSA-N 1 0 450.499 0.582 20 0 JCADRO Cn1c2ncc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)cc2c(=O)n(C)c1=O ZINC000483493946 1070223584 /nfs/dbraw/zinc/22/35/84/1070223584.db2.gz IGFGIMARNIICLJ-OAHLLOKOSA-N 1 0 450.499 0.582 20 0 JCADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2)C1 ZINC000483494379 1070223490 /nfs/dbraw/zinc/22/34/90/1070223490.db2.gz JUYKTHFNDMHKRB-IBGZPJMESA-N 1 0 499.593 0.757 20 0 JCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2)C1 ZINC000483494382 1070223808 /nfs/dbraw/zinc/22/38/08/1070223808.db2.gz JUYKTHFNDMHKRB-LJQANCHMSA-N 1 0 499.593 0.757 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)ccc2oc1=O ZINC000483530698 1070223364 /nfs/dbraw/zinc/22/33/64/1070223364.db2.gz KWQFWMFRIHPWFO-UHFFFAOYSA-N 1 0 494.552 0.878 20 0 JCADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000483533327 1070224412 /nfs/dbraw/zinc/22/44/12/1070224412.db2.gz PSLYJAQUMLHVGV-UHFFFAOYSA-N 1 0 483.525 0.878 20 0 JCADRO Cn1c2ncn(CCC(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3)c2c(=O)n(C)c1=O ZINC000483551904 1070225346 /nfs/dbraw/zinc/22/53/46/1070225346.db2.gz FTHLSJCJOFFAOB-INIZCTEOSA-N 1 0 467.530 0.160 20 0 JCADRO Cn1c2ncn(CCC(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)c2c(=O)n(C)c1=O ZINC000483551905 1070224923 /nfs/dbraw/zinc/22/49/23/1070224923.db2.gz FTHLSJCJOFFAOB-MRXNPFEDSA-N 1 0 467.530 0.160 20 0 JCADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483566594 1070225209 /nfs/dbraw/zinc/22/52/09/1070225209.db2.gz WMPSMNDKMKXNQK-UHFFFAOYSA-N 1 0 493.528 0.120 20 0 JCADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483590225 1070225306 /nfs/dbraw/zinc/22/53/06/1070225306.db2.gz IAAOMZJXSIUWDP-INIZCTEOSA-N 1 0 474.562 0.154 20 0 JCADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483590226 1070224890 /nfs/dbraw/zinc/22/48/90/1070224890.db2.gz IAAOMZJXSIUWDP-MRXNPFEDSA-N 1 0 474.562 0.154 20 0 JCADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483650500 1070226330 /nfs/dbraw/zinc/22/63/30/1070226330.db2.gz YTVUKSBGTFKMNX-UHFFFAOYSA-N 1 0 488.589 0.497 20 0 JCADRO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000483695148 1070226712 /nfs/dbraw/zinc/22/67/12/1070226712.db2.gz BNBFBEZIPQXZHJ-UHFFFAOYSA-N 1 0 457.618 0.882 20 0 JCADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000483725240 1070227159 /nfs/dbraw/zinc/22/71/59/1070227159.db2.gz JJPGNRHDOWABOP-UHFFFAOYSA-N 1 0 453.609 0.998 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000483748834 1070227319 /nfs/dbraw/zinc/22/73/19/1070227319.db2.gz VKUODZVSKBSDFO-UHFFFAOYSA-N 1 0 489.554 0.661 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)ccc2oc1=O ZINC000483799783 1070227491 /nfs/dbraw/zinc/22/74/91/1070227491.db2.gz DZMJBYBGLPLMBY-INIZCTEOSA-N 1 0 457.531 0.859 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)ccc2oc1=O ZINC000483799784 1070227206 /nfs/dbraw/zinc/22/72/06/1070227206.db2.gz DZMJBYBGLPLMBY-MRXNPFEDSA-N 1 0 457.531 0.859 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)ccc2oc1=O ZINC000483942351 1070228639 /nfs/dbraw/zinc/22/86/39/1070228639.db2.gz PXBDEZORUAJHPX-UHFFFAOYSA-N 1 0 460.512 0.815 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCS(=O)(=O)NCc3ccccc3)ccc2oc1=O ZINC000483943698 1070228847 /nfs/dbraw/zinc/22/88/47/1070228847.db2.gz OZNIUSKHLXCYRA-UHFFFAOYSA-N 1 0 489.554 0.330 20 0 JCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)c2)CC1 ZINC000484013778 1070230267 /nfs/dbraw/zinc/23/02/67/1070230267.db2.gz QSRZUYIZECMQRU-UHFFFAOYSA-N 1 0 486.598 0.939 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)ccc2oc1=O ZINC000484436010 1070237607 /nfs/dbraw/zinc/23/76/07/1070237607.db2.gz JPWDJNXEQCYZLY-UHFFFAOYSA-N 1 0 460.512 0.685 20 0 JCADRO Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000484444380 1070237364 /nfs/dbraw/zinc/23/73/64/1070237364.db2.gz UNFVJBRTJUNDIB-KRWDZBQOSA-N 1 0 456.499 0.959 20 0 JCADRO Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000484444388 1070237499 /nfs/dbraw/zinc/23/74/99/1070237499.db2.gz UNFVJBRTJUNDIB-QGZVFWFLSA-N 1 0 456.499 0.959 20 0 JCADRO COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000484465754 1070238057 /nfs/dbraw/zinc/23/80/57/1070238057.db2.gz OGZSITDDOBWOFH-UHFFFAOYSA-N 1 0 469.498 0.536 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)cc21 ZINC000484519252 1070238886 /nfs/dbraw/zinc/23/88/86/1070238886.db2.gz YEUUHZZNYGAHEQ-HNNXBMFYSA-N 1 0 486.481 0.379 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)cc21 ZINC000484519255 1070238723 /nfs/dbraw/zinc/23/87/23/1070238723.db2.gz YEUUHZZNYGAHEQ-OAHLLOKOSA-N 1 0 486.481 0.379 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@H](O)COc3ccc(F)cc3)cc21 ZINC000484546521 1070239488 /nfs/dbraw/zinc/23/94/88/1070239488.db2.gz XNICFYTUDQRYLD-INIZCTEOSA-N 1 0 460.462 0.790 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@H](O)COc3ccc(F)cc3)cc21 ZINC000484546523 1070239246 /nfs/dbraw/zinc/23/92/46/1070239246.db2.gz XNICFYTUDQRYLD-MRXNPFEDSA-N 1 0 460.462 0.790 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)cn2)CC1 ZINC000484703725 1070242074 /nfs/dbraw/zinc/24/20/74/1070242074.db2.gz GCRBDTWSSGVYPV-UHFFFAOYSA-N 1 0 474.543 0.095 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cn2)CC1 ZINC000484818012 1070244643 /nfs/dbraw/zinc/24/46/43/1070244643.db2.gz GQTITBBXXMMZHX-UHFFFAOYSA-N 1 0 488.614 0.638 20 0 JCADRO C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(=O)NCc1ccccc1 ZINC000485097318 1070260111 /nfs/dbraw/zinc/26/01/11/1070260111.db2.gz RPLZBDWMDXSGBP-HNNXBMFYSA-N 1 0 453.499 0.916 20 0 JCADRO C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(=O)NCc1ccccc1 ZINC000485097320 1070260177 /nfs/dbraw/zinc/26/01/77/1070260177.db2.gz RPLZBDWMDXSGBP-OAHLLOKOSA-N 1 0 453.499 0.916 20 0 JCADRO COCCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000485097997 1070260515 /nfs/dbraw/zinc/26/05/15/1070260515.db2.gz TYEVKNHIEJLACL-UHFFFAOYSA-N 1 0 475.546 0.486 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@]3(N4CCOCC4)CCSC3)cc21 ZINC000485098944 1070259296 /nfs/dbraw/zinc/25/92/96/1070259296.db2.gz DPAFDORUWWWLKL-JOCHJYFZSA-N 1 0 477.587 0.419 20 0 JCADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@]3(N4CCOCC4)CCSC3)cc21 ZINC000485098945 1070259626 /nfs/dbraw/zinc/25/96/26/1070259626.db2.gz DPAFDORUWWWLKL-QFIPXVFZSA-N 1 0 477.587 0.419 20 0 JCADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000485118601 1070261132 /nfs/dbraw/zinc/26/11/32/1070261132.db2.gz RNPFRAPDHWBNJT-AWEZNQCLSA-N 1 0 489.554 0.880 20 0 JCADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000485118602 1070261244 /nfs/dbraw/zinc/26/12/44/1070261244.db2.gz RNPFRAPDHWBNJT-CQSZACIVSA-N 1 0 489.554 0.880 20 0 JCADRO Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000485118632 1070261104 /nfs/dbraw/zinc/26/11/04/1070261104.db2.gz SBMZQUMEOWETLY-UHFFFAOYSA-N 1 0 453.499 0.949 20 0 JCADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3C(=O)c4ccccc4C3=O)ccc2oc1=O ZINC000485120522 1070260972 /nfs/dbraw/zinc/26/09/72/1070260972.db2.gz XXJKIJLGKMVJMX-UHFFFAOYSA-N 1 0 465.466 0.507 20 0 JCADRO 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IONMRFMVAMMMFN-UHFFFAOYSA-N 1 0 488.614 0.786 20 0 JCADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000486912811 1070294935 /nfs/dbraw/zinc/29/49/35/1070294935.db2.gz UMEOQHYQPXARSX-UHFFFAOYSA-N 1 0 451.593 0.601 20 0 JCADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000487001585 1070297541 /nfs/dbraw/zinc/29/75/41/1070297541.db2.gz ZSKUNASNVNHFGN-UHFFFAOYSA-N 1 0 467.592 0.884 20 0 JCADRO CCCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](CC)CC1 ZINC000487006415 1070296348 /nfs/dbraw/zinc/29/63/48/1070296348.db2.gz NKLXRVIITJTHNO-UHFFFAOYSA-N 1 0 481.619 0.656 20 0 JCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000487008707 1070298484 /nfs/dbraw/zinc/29/84/84/1070298484.db2.gz GHDNFKXYAZXJCM-UHFFFAOYSA-N 1 0 487.582 0.961 20 0 JCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487087666 1070298375 /nfs/dbraw/zinc/29/83/75/1070298375.db2.gz OURAWSVYWHKELY-KRWDZBQOSA-N 1 0 458.540 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CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487648876 1070309035 /nfs/dbraw/zinc/30/90/35/1070309035.db2.gz MPFXQFKFNJNDBR-LJQANCHMSA-N 1 0 499.033 0.640 20 0 JCADRO CSC[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000487649091 1070309441 /nfs/dbraw/zinc/30/94/41/1070309441.db2.gz MUJFHZQGBFNMGJ-FGTMMUONSA-N 1 0 450.605 0.660 20 0 JCADRO CSC[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000487649092 1070309338 /nfs/dbraw/zinc/30/93/38/1070309338.db2.gz MUJFHZQGBFNMGJ-KSZLIROESA-N 1 0 450.605 0.660 20 0 JCADRO CSC[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000487649093 1070309398 /nfs/dbraw/zinc/30/93/98/1070309398.db2.gz MUJFHZQGBFNMGJ-KZNAEPCWSA-N 1 0 450.605 0.660 20 0 JCADRO CSC[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000487649094 1070309609 /nfs/dbraw/zinc/30/96/09/1070309609.db2.gz MUJFHZQGBFNMGJ-OKZBNKHCSA-N 1 0 450.605 0.660 20 0 JCADRO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487650419 1070309653 /nfs/dbraw/zinc/30/96/53/1070309653.db2.gz VMJCFIBXKGAYKR-UHFFFAOYSA-N 1 0 470.617 0.078 20 0 JCADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000487651046 1070309735 /nfs/dbraw/zinc/30/97/35/1070309735.db2.gz YKXLFLUBPWIULM-UHFFFAOYSA-N 1 0 467.592 0.459 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487651937 1070309480 /nfs/dbraw/zinc/30/94/80/1070309480.db2.gz BKKHJMONNDJWJC-UHFFFAOYSA-N 1 0 464.588 0.396 20 0 JCADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC000487651965 1070309775 /nfs/dbraw/zinc/30/97/75/1070309775.db2.gz BWBMQAUZZQUKCK-UHFFFAOYSA-N 1 0 468.576 0.139 20 0 JCADRO COc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000487653094 1070309836 /nfs/dbraw/zinc/30/98/36/1070309836.db2.gz DWTGKTACIHSVMZ-UHFFFAOYSA-N 1 0 450.561 0.516 20 0 JCADRO O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487653953 1070309524 /nfs/dbraw/zinc/30/95/24/1070309524.db2.gz GYDUBWXDZSTVAK-UHFFFAOYSA-N 1 0 494.614 0.673 20 0 JCADRO COc1ccc(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000487654683 1070309214 /nfs/dbraw/zinc/30/92/14/1070309214.db2.gz ICYKBCRNDDJPNX-UHFFFAOYSA-N 1 0 494.614 0.025 20 0 JCADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487654711 1070309254 /nfs/dbraw/zinc/30/92/54/1070309254.db2.gz IMXFHPXYCAHVIF-GOSISDBHSA-N 1 0 486.635 0.992 20 0 JCADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487654713 1070309698 /nfs/dbraw/zinc/30/96/98/1070309698.db2.gz IMXFHPXYCAHVIF-SFHVURJKSA-N 1 0 486.635 0.992 20 0 JCADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000487655700 1070310127 /nfs/dbraw/zinc/31/01/27/1070310127.db2.gz KYCHKXSZKRJRTP-INIZCTEOSA-N 1 0 465.576 0.078 20 0 JCADRO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)n2C ZINC000487656300 1070310298 /nfs/dbraw/zinc/31/02/98/1070310298.db2.gz LRFQZSBBNSPBOV-UHFFFAOYSA-N 1 0 490.630 0.523 20 0 JCADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487661095 1070308860 /nfs/dbraw/zinc/30/88/60/1070308860.db2.gz SXCPZWQXTHDJPC-IBGZPJMESA-N 1 0 468.645 0.853 20 0 JCADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487661097 1070308684 /nfs/dbraw/zinc/30/86/84/1070308684.db2.gz SXCPZWQXTHDJPC-LJQANCHMSA-N 1 0 468.645 0.853 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)CC2)cc1 ZINC000487664862 1070310336 /nfs/dbraw/zinc/31/03/36/1070310336.db2.gz ZXGYTHZAEXXJPG-UHFFFAOYSA-N 1 0 478.615 0.863 20 0 JCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000487702281 1070311405 /nfs/dbraw/zinc/31/14/05/1070311405.db2.gz LTHJCXDVSFOGSQ-HSZRJFAPSA-N 1 0 496.564 0.896 20 0 JCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000487702285 1070311806 /nfs/dbraw/zinc/31/18/06/1070311806.db2.gz LTHJCXDVSFOGSQ-QHCPKHFHSA-N 1 0 496.564 0.896 20 0 JCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000487715251 1070311846 /nfs/dbraw/zinc/31/18/46/1070311846.db2.gz NIYRIYPRKFMLSL-UHFFFAOYSA-N 1 0 490.582 0.903 20 0 JCADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000487719019 1070311892 /nfs/dbraw/zinc/31/18/92/1070311892.db2.gz XEPMMHJXGBKMRL-UHFFFAOYSA-N 1 0 490.582 0.903 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000487837631 1070314292 /nfs/dbraw/zinc/31/42/92/1070314292.db2.gz GPPHEFXTFQPOFT-UHFFFAOYSA-N 1 0 455.519 0.144 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000487843491 1070314144 /nfs/dbraw/zinc/31/41/44/1070314144.db2.gz PPSRSZWVRTXRSW-UHFFFAOYSA-N 1 0 469.546 0.534 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000487867161 1070314516 /nfs/dbraw/zinc/31/45/16/1070314516.db2.gz ANXDLJPWGQHFLW-UHFFFAOYSA-N 1 0 452.515 0.956 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000487878156 1070314495 /nfs/dbraw/zinc/31/44/95/1070314495.db2.gz VFVUTRGSVPIASS-UHFFFAOYSA-N 1 0 455.519 0.144 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000487921740 1070314725 /nfs/dbraw/zinc/31/47/25/1070314725.db2.gz VZDCHVVAONFWSM-UHFFFAOYSA-N 1 0 452.515 0.956 20 0 JCADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000488044992 1070315361 /nfs/dbraw/zinc/31/53/61/1070315361.db2.gz AULNEPCUAUSCAH-UHFFFAOYSA-N 1 0 459.572 0.960 20 0 JCADRO COCCN(C(=O)CN1CCC(C[NH+]2CCCC2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000488319341 1070318487 /nfs/dbraw/zinc/31/84/87/1070318487.db2.gz BCOKYQNQJQFLIH-UHFFFAOYSA-N 1 0 464.611 0.974 20 0 JCADRO COc1ccc(CCN2C(=O)C[C@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1OC ZINC000488587872 1070321146 /nfs/dbraw/zinc/32/11/46/1070321146.db2.gz RGYRSTYSUJSPIF-IBGZPJMESA-N 1 0 458.559 0.614 20 0 JCADRO COc1ccc(CCN2C(=O)C[C@@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1OC ZINC000488587874 1070320991 /nfs/dbraw/zinc/32/09/91/1070320991.db2.gz RGYRSTYSUJSPIF-LJQANCHMSA-N 1 0 458.559 0.614 20 0 JCADRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000488699038 1070323918 /nfs/dbraw/zinc/32/39/18/1070323918.db2.gz SJMUAWAYXBIUMF-UHFFFAOYSA-N 1 0 458.544 0.757 20 0 JCADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)C[C@H](C)O1 ZINC000488699842 1070323728 /nfs/dbraw/zinc/32/37/28/1070323728.db2.gz VBNLPRWQHKTIJC-KBPBESRZSA-N 1 0 451.549 0.544 20 0 JCADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)C[C@H](C)O1 ZINC000488699844 1070323492 /nfs/dbraw/zinc/32/34/92/1070323492.db2.gz VBNLPRWQHKTIJC-OKILXGFUSA-N 1 0 451.549 0.544 20 0 JCADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)C[C@@H](C)O1 ZINC000488699847 1070323653 /nfs/dbraw/zinc/32/36/53/1070323653.db2.gz VBNLPRWQHKTIJC-ZIAGYGMSSA-N 1 0 451.549 0.544 20 0 JCADRO COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000488700185 1070323862 /nfs/dbraw/zinc/32/38/62/1070323862.db2.gz VGGQVBYCGLDSNB-UHFFFAOYSA-N 1 0 477.543 0.470 20 0 JCADRO C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000488703428 1070323199 /nfs/dbraw/zinc/32/31/99/1070323199.db2.gz VPBXUEFPGIUKQK-CYBMUJFWSA-N 1 0 476.534 0.965 20 0 JCADRO C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000488703433 1070323019 /nfs/dbraw/zinc/32/30/19/1070323019.db2.gz VPBXUEFPGIUKQK-ZDUSSCGKSA-N 1 0 476.534 0.965 20 0 JCADRO Cn1cnc2c1c(=O)n(CCC[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1)c(=O)n2C ZINC000488708651 1070322922 /nfs/dbraw/zinc/32/29/22/1070322922.db2.gz PBOXOABEFYFGPA-UHFFFAOYSA-N 1 0 463.560 0.628 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000488724024 1070324882 /nfs/dbraw/zinc/32/48/82/1070324882.db2.gz LBRZDSSDVNUUSR-UHFFFAOYSA-N 1 0 462.494 0.907 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000488724226 1070324334 /nfs/dbraw/zinc/32/43/34/1070324334.db2.gz LPAAYKFXRSIODV-UHFFFAOYSA-N 1 0 456.590 0.056 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000488726757 1070324117 /nfs/dbraw/zinc/32/41/17/1070324117.db2.gz PFELAIYDWCSLHB-UHFFFAOYSA-N 1 0 487.376 0.709 20 0 JCADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000488727681 1070324385 /nfs/dbraw/zinc/32/43/85/1070324385.db2.gz RGSLIKUEXMYRDK-UHFFFAOYSA-N 1 0 453.517 0.189 20 0 JCADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C(=O)OC)s1 ZINC000488728614 1070325697 /nfs/dbraw/zinc/32/56/97/1070325697.db2.gz SJDRNZDCQBNEAH-UHFFFAOYSA-N 1 0 459.546 0.250 20 0 JCADRO 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C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000499189569 1068817925 /nfs/dbraw/zinc/81/79/25/1068817925.db2.gz JSNRRHLHHQFTRQ-RXVVDRJESA-N 1 0 474.558 0.209 20 0 JCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000499189571 1068818818 /nfs/dbraw/zinc/81/88/18/1068818818.db2.gz JSNRRHLHHQFTRQ-WIYYLYMNSA-N 1 0 474.558 0.209 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499192732 1068816759 /nfs/dbraw/zinc/81/67/59/1068816759.db2.gz QFRWONARZCULTE-GOSISDBHSA-N 1 0 482.603 0.524 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499192735 1068816547 /nfs/dbraw/zinc/81/65/47/1068816547.db2.gz QFRWONARZCULTE-SFHVURJKSA-N 1 0 482.603 0.524 20 0 JCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cn1 ZINC000499196511 1068817434 /nfs/dbraw/zinc/81/74/34/1068817434.db2.gz XXVYRUBGCBIASL-GOSISDBHSA-N 1 0 486.598 0.879 20 0 JCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cn1 ZINC000499196512 1068817515 /nfs/dbraw/zinc/81/75/15/1068817515.db2.gz XXVYRUBGCBIASL-SFHVURJKSA-N 1 0 486.598 0.879 20 0 JCADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000499196604 1068817232 /nfs/dbraw/zinc/81/72/32/1068817232.db2.gz WCSOCKOPPVFHIR-KRWDZBQOSA-N 1 0 465.576 0.665 20 0 JCADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000499196607 1068817332 /nfs/dbraw/zinc/81/73/32/1068817332.db2.gz WCSOCKOPPVFHIR-QGZVFWFLSA-N 1 0 465.576 0.665 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499197461 1068817302 /nfs/dbraw/zinc/81/73/02/1068817302.db2.gz XJLYSSOGUYRBCG-KRWDZBQOSA-N 1 0 498.602 0.224 20 0 JCADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)c2)CC1 ZINC000499197740 1068823004 /nfs/dbraw/zinc/82/30/04/1068823004.db2.gz ZKNJYKZQWAJMHO-FQEVSTJZSA-N 1 0 495.646 0.521 20 0 JCADRO 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PQYXCJYWKNEVHA-UHFFFAOYSA-N 1 0 494.662 0.868 20 0 JCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 ZINC000503222700 1068417520 /nfs/dbraw/zinc/41/75/20/1068417520.db2.gz YAMYYXZSFIDHEJ-UHFFFAOYSA-N 1 0 455.567 0.048 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000503236361 1068418446 /nfs/dbraw/zinc/41/84/46/1068418446.db2.gz BYSIICYBXRJZMB-UHFFFAOYSA-N 1 0 450.609 0.803 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000503238795 1068418397 /nfs/dbraw/zinc/41/83/97/1068418397.db2.gz BOKYGMRUYRBXQR-UHFFFAOYSA-N 1 0 450.609 0.803 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000503239339 1068419273 /nfs/dbraw/zinc/41/92/73/1068419273.db2.gz KHDVKANGNDQQDR-IBGZPJMESA-N 1 0 450.609 0.803 20 0 JCADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000503239340 1068419206 /nfs/dbraw/zinc/41/92/06/1068419206.db2.gz KHDVKANGNDQQDR-LJQANCHMSA-N 1 0 450.609 0.803 20 0 JCADRO 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Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503614359 1068448468 /nfs/dbraw/zinc/44/84/68/1068448468.db2.gz WXZBPDPLDGLRID-UHFFFAOYSA-N 1 0 455.559 0.936 20 0 JCADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)c2)CC1 ZINC000503617469 1068447629 /nfs/dbraw/zinc/44/76/29/1068447629.db2.gz XNGJCVSKEWOALF-UHFFFAOYSA-N 1 0 484.645 0.966 20 0 JCADRO NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000503623427 1068450893 /nfs/dbraw/zinc/45/08/93/1068450893.db2.gz CDLQNMXQVXSOBQ-UHFFFAOYSA-N 1 0 470.574 0.093 20 0 JCADRO CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2ccccc2O1 ZINC000503623492 1068449935 /nfs/dbraw/zinc/44/99/35/1068449935.db2.gz CVYKGOBOJLVJDI-JOCHJYFZSA-N 1 0 499.612 0.852 20 0 JCADRO CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2ccccc2O1 ZINC000503623493 1068450042 /nfs/dbraw/zinc/45/00/42/1068450042.db2.gz CVYKGOBOJLVJDI-QFIPXVFZSA-N 1 0 499.612 0.852 20 0 JCADRO Cc1c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cccc1C(=O)N1CCSCC1 ZINC000503623520 1068449877 /nfs/dbraw/zinc/44/98/77/1068449877.db2.gz DGLBGRQAFPGSHL-UHFFFAOYSA-N 1 0 487.626 0.889 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000503623533 1068450090 /nfs/dbraw/zinc/45/00/90/1068450090.db2.gz DIBBOGNHITYZAB-UHFFFAOYSA-N 1 0 481.550 0.071 20 0 JCADRO O=C(Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1)N1CCSCC1 ZINC000503623600 1068450813 /nfs/dbraw/zinc/45/08/13/1068450813.db2.gz FDGSPSPBWJXZGB-UHFFFAOYSA-N 1 0 487.626 0.510 20 0 JCADRO Cc1c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cccc1C(=O)N1CCOCC1 ZINC000503623736 1068450774 /nfs/dbraw/zinc/45/07/74/1068450774.db2.gz FPZGXSWVBJBBSW-UHFFFAOYSA-N 1 0 471.558 0.173 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1 ZINC000503623747 1068450689 /nfs/dbraw/zinc/45/06/89/1068450689.db2.gz FSWBAFGHQYUQST-UHFFFAOYSA-N 1 0 491.976 0.518 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1 ZINC000503624081 1068450909 /nfs/dbraw/zinc/45/09/09/1068450909.db2.gz HSAUGLFEXGDLKI-UHFFFAOYSA-N 1 0 457.575 0.266 20 0 JCADRO Cc1c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cccc1C(=O)N1CCCC1 ZINC000503624291 1068450647 /nfs/dbraw/zinc/45/06/47/1068450647.db2.gz IPUSENXMKFFZPS-UHFFFAOYSA-N 1 0 455.559 0.936 20 0 JCADRO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503624593 1068450871 /nfs/dbraw/zinc/45/08/71/1068450871.db2.gz KIGOPHUYIWBDLG-UHFFFAOYSA-N 1 0 487.626 0.889 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000503624692 1068451429 /nfs/dbraw/zinc/45/14/29/1068451429.db2.gz CYCYQLMDGXDLRM-UHFFFAOYSA-N 1 0 479.603 0.422 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 ZINC000503624735 1068451444 /nfs/dbraw/zinc/45/14/44/1068451444.db2.gz AABIOSILKGOAMY-UHFFFAOYSA-N 1 0 463.966 0.882 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(I)cc2)CC1 ZINC000503625085 1068451567 /nfs/dbraw/zinc/45/15/67/1068451567.db2.gz FDDQTMVPAWCVOT-UHFFFAOYSA-N 1 0 470.311 0.996 20 0 JCADRO O=C(CCc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1)N1CCCC1 ZINC000503625569 1068451410 /nfs/dbraw/zinc/45/14/10/1068451410.db2.gz CKQYPCPJHTZNFF-UHFFFAOYSA-N 1 0 469.586 0.947 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)CC1 ZINC000503626268 1067786979 /nfs/dbraw/zinc/78/69/79/1067786979.db2.gz GRMFXXPJNVJCCT-UHFFFAOYSA-N 1 0 480.569 0.777 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000503626742 1068452276 /nfs/dbraw/zinc/45/22/76/1068452276.db2.gz KBHVXGDPMJGQCE-UHFFFAOYSA-N 1 0 491.614 0.566 20 0 JCADRO COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503627102 1068452362 /nfs/dbraw/zinc/45/23/62/1068452362.db2.gz SZGZKPNZWQOZPR-UHFFFAOYSA-N 1 0 460.531 0.966 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000503627104 1068452351 /nfs/dbraw/zinc/45/23/51/1068452351.db2.gz SZYOIDSYJGJCFG-UHFFFAOYSA-N 1 0 473.599 0.581 20 0 JCADRO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503627769 1068453014 /nfs/dbraw/zinc/45/30/14/1068453014.db2.gz WBWPFZJYWNIYIW-UHFFFAOYSA-N 1 0 487.626 0.889 20 0 JCADRO COC(=O)CSCc1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503627846 1068452306 /nfs/dbraw/zinc/45/23/06/1068452306.db2.gz KLKDFTFPWYVINO-UHFFFAOYSA-N 1 0 462.572 0.798 20 0 JCADRO CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503628292 1068452233 /nfs/dbraw/zinc/45/22/33/1068452233.db2.gz MNDRUPHGCZVDMR-UHFFFAOYSA-N 1 0 493.630 0.610 20 0 JCADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(OCC(=O)N(C)C)c1 ZINC000503628327 1068452266 /nfs/dbraw/zinc/45/22/66/1068452266.db2.gz MZAAJCUMTOWELP-UHFFFAOYSA-N 1 0 459.547 0.167 20 0 JCADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)C[C@H](C)O1 ZINC000503628432 1068452401 /nfs/dbraw/zinc/45/24/01/1068452401.db2.gz ZALLYRNPHMFAHB-KDURUIRLSA-N 1 0 485.585 0.641 20 0 JCADRO C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)C[C@H](C)O1 ZINC000503628437 1068452207 /nfs/dbraw/zinc/45/22/07/1068452207.db2.gz ZALLYRNPHMFAHB-OALUTQOASA-N 1 0 485.585 0.641 20 0 JCADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)C[C@@H](C)O1 ZINC000503628439 1068452253 /nfs/dbraw/zinc/45/22/53/1068452253.db2.gz ZALLYRNPHMFAHB-RTBURBONSA-N 1 0 485.585 0.641 20 0 JCADRO CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F ZINC000503628677 1068452996 /nfs/dbraw/zinc/45/29/96/1068452996.db2.gz NKUBCFHDEPDNBB-UHFFFAOYSA-N 1 0 458.487 0.073 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccccc2I)CC1 ZINC000503629069 1068453053 /nfs/dbraw/zinc/45/30/53/1068453053.db2.gz RYPKXDFKQMVWLC-UHFFFAOYSA-N 1 0 470.311 0.996 20 0 JCADRO COc1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1N1CCCC1=O ZINC000503629151 1068453113 /nfs/dbraw/zinc/45/31/13/1068453113.db2.gz PEIAJENAJVLSLT-UHFFFAOYSA-N 1 0 457.531 0.527 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000503629490 1068452967 /nfs/dbraw/zinc/45/29/67/1068452967.db2.gz SOUKVPKYCROUSU-UHFFFAOYSA-N 1 0 470.311 0.996 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 ZINC000503630115 1068453823 /nfs/dbraw/zinc/45/38/23/1068453823.db2.gz RAUWNMIIMIMPDN-UHFFFAOYSA-N 1 0 467.526 0.398 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000503630154 1068453736 /nfs/dbraw/zinc/45/37/36/1068453736.db2.gz RNUWZLPJNUQTLD-UHFFFAOYSA-N 1 0 455.515 0.041 20 0 JCADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C ZINC000503631066 1068453622 /nfs/dbraw/zinc/45/36/22/1068453622.db2.gz XZHHRDNDBKVOHH-UHFFFAOYSA-N 1 0 493.630 0.731 20 0 JCADRO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1Cl ZINC000503631067 1068453673 /nfs/dbraw/zinc/45/36/73/1068453673.db2.gz XZJIWKLXIDUWBX-UHFFFAOYSA-N 1 0 485.994 0.295 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000503631546 1068453683 /nfs/dbraw/zinc/45/36/83/1068453683.db2.gz YSNGHJNPHPSYBD-UHFFFAOYSA-N 1 0 491.614 0.566 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000503631603 1068453657 /nfs/dbraw/zinc/45/36/57/1068453657.db2.gz ZDDUHDGZJMLLLR-UHFFFAOYSA-N 1 0 477.587 0.176 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000503631615 1068453798 /nfs/dbraw/zinc/45/37/98/1068453798.db2.gz VQFHJRUXSUHOCL-UHFFFAOYSA-N 1 0 452.519 0.380 20 0 JCADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1N1C(=O)CCC1=O ZINC000503631692 1068453783 /nfs/dbraw/zinc/45/37/83/1068453783.db2.gz WIXGGVCRDCQYOR-UHFFFAOYSA-N 1 0 455.515 0.354 20 0 JCADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCO1 ZINC000503632519 1068453612 /nfs/dbraw/zinc/45/36/12/1068453612.db2.gz YNCBUKURIWJAHD-FQEVSTJZSA-N 1 0 467.526 0.743 20 0 JCADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCO1 ZINC000503632525 1068453762 /nfs/dbraw/zinc/45/37/62/1068453762.db2.gz YNCBUKURIWJAHD-HXUWFJFHSA-N 1 0 467.526 0.743 20 0 JCADRO COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503632861 1068453750 /nfs/dbraw/zinc/45/37/50/1068453750.db2.gz ZEPMUPVNCGUKQK-UHFFFAOYSA-N 1 0 471.558 0.779 20 0 JCADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2)CC1 ZINC000503634283 1068454593 /nfs/dbraw/zinc/45/45/93/1068454593.db2.gz QEYDBLAQUVAYKV-FQEVSTJZSA-N 1 0 479.647 0.240 20 0 JCADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2)CC1 ZINC000503634286 1068454679 /nfs/dbraw/zinc/45/46/79/1068454679.db2.gz QEYDBLAQUVAYKV-HXUWFJFHSA-N 1 0 479.647 0.240 20 0 JCADRO 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ZINC000508978260 1069534627 /nfs/dbraw/zinc/53/46/27/1069534627.db2.gz OXJORLASOPBGBR-UHFFFAOYSA-N 1 0 489.598 0.980 20 0 JCADRO COc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000508981277 1069534655 /nfs/dbraw/zinc/53/46/55/1069534655.db2.gz ZFCSRPGLYQTFAF-UHFFFAOYSA-N 1 0 489.598 0.793 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000509058307 1069539841 /nfs/dbraw/zinc/53/98/41/1069539841.db2.gz XCYWPIDZBZAMCB-UHFFFAOYSA-N 1 0 467.592 0.725 20 0 JCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)o1 ZINC000509063249 1069540364 /nfs/dbraw/zinc/54/03/64/1069540364.db2.gz BZAFMACHDQYWKU-INIZCTEOSA-N 1 0 456.565 0.315 20 0 JCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)o1 ZINC000509063250 1069540357 /nfs/dbraw/zinc/54/03/57/1069540357.db2.gz BZAFMACHDQYWKU-MRXNPFEDSA-N 1 0 456.565 0.315 20 0 JCADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC[NH+](C)C)CC3)CC2)o1 ZINC000509063556 1069539902 /nfs/dbraw/zinc/53/99/02/1069539902.db2.gz FBSPXKLSNBBIEL-UHFFFAOYSA-N 1 0 470.592 0.563 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)C1 ZINC000509066797 1069539746 /nfs/dbraw/zinc/53/97/46/1069539746.db2.gz FZYWERBPQSHWKW-HNNXBMFYSA-N 1 0 454.549 0.318 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)C1 ZINC000509066798 1069539865 /nfs/dbraw/zinc/53/98/65/1069539865.db2.gz FZYWERBPQSHWKW-OAHLLOKOSA-N 1 0 454.549 0.318 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000509208508 1069562066 /nfs/dbraw/zinc/56/20/66/1069562066.db2.gz DQZNAFRTMUGHTP-UHFFFAOYSA-N 1 0 451.593 0.939 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000509233646 1069567528 /nfs/dbraw/zinc/56/75/28/1069567528.db2.gz HZNIVHQKOGUBIB-UHFFFAOYSA-N 1 0 485.582 0.865 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000509261357 1069579871 /nfs/dbraw/zinc/57/98/71/1069579871.db2.gz BIQKRKFFQKHBGI-UHFFFAOYSA-N 1 0 480.635 0.641 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000509265201 1069580367 /nfs/dbraw/zinc/58/03/67/1069580367.db2.gz UPJFECBJXUKNIZ-UHFFFAOYSA-N 1 0 460.000 0.814 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000509277082 1069581061 /nfs/dbraw/zinc/58/10/61/1069581061.db2.gz RKXRDTPFEIWAAQ-UHFFFAOYSA-N 1 0 458.607 0.770 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 ZINC000509277084 1069581007 /nfs/dbraw/zinc/58/10/07/1069581007.db2.gz RLJIBPSQOYFSJS-UHFFFAOYSA-N 1 0 495.646 0.544 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000509331490 1069586394 /nfs/dbraw/zinc/58/63/94/1069586394.db2.gz NJHSMFYVLIMBKV-UHFFFAOYSA-N 1 0 450.584 0.827 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000509344480 1069587013 /nfs/dbraw/zinc/58/70/13/1069587013.db2.gz SZFRJRTZLRJUNY-UHFFFAOYSA-N 1 0 487.648 0.465 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000509369965 1069589798 /nfs/dbraw/zinc/58/97/98/1069589798.db2.gz FHMAJECCHQZCIO-UHFFFAOYSA-N 1 0 481.619 0.403 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 ZINC000509419818 1069594182 /nfs/dbraw/zinc/59/41/82/1069594182.db2.gz LNNOTKNOEAGJOB-UHFFFAOYSA-N 1 0 463.579 0.858 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000509447415 1069599897 /nfs/dbraw/zinc/59/98/97/1069599897.db2.gz ILZZXMWJZBMYKH-UHFFFAOYSA-N 1 0 469.608 0.307 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000509447966 1069604572 /nfs/dbraw/zinc/60/45/72/1069604572.db2.gz CSLAAGKDZCMKKP-FQEVSTJZSA-N 1 0 495.646 0.840 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000509447973 1069604248 /nfs/dbraw/zinc/60/42/48/1069604248.db2.gz CSLAAGKDZCMKKP-HXUWFJFHSA-N 1 0 495.646 0.840 20 0 JCADRO O=C(C(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000509471674 1069948637 /nfs/dbraw/zinc/94/86/37/1069948637.db2.gz XPPVMFPTBDHXKX-JOCHJYFZSA-N 1 0 482.503 0.971 20 0 JCADRO O=C(C(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000509471675 1069948406 /nfs/dbraw/zinc/94/84/06/1069948406.db2.gz XPPVMFPTBDHXKX-QFIPXVFZSA-N 1 0 482.503 0.971 20 0 JCADRO COCC[N@H+](C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000509489604 1067795702 /nfs/dbraw/zinc/79/57/02/1067795702.db2.gz VHEXNGFNRDFMMM-UHFFFAOYSA-N 1 0 455.577 0.943 20 0 JCADRO CC[NH+]1CCN(CCCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000509496141 1070073602 /nfs/dbraw/zinc/07/36/02/1070073602.db2.gz UMQVMCIYSVCOQA-UHFFFAOYSA-N 1 0 493.674 0.752 20 0 JCADRO CC[NH+]1CCN(CCCNC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)CC1 ZINC000509505331 1070142555 /nfs/dbraw/zinc/14/25/55/1070142555.db2.gz OCYXOEQHJVVDHV-UHFFFAOYSA-N 1 0 493.630 0.913 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000509614772 1069508066 /nfs/dbraw/zinc/50/80/66/1069508066.db2.gz CPBGFQZILYOISE-GOSISDBHSA-N 1 0 481.619 0.838 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)N2CCC[C@H](O)C2)CC1 ZINC000509614773 1069507997 /nfs/dbraw/zinc/50/79/97/1069507997.db2.gz CPBGFQZILYOISE-SFHVURJKSA-N 1 0 481.619 0.838 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NCCC(=O)NC)CC1 ZINC000509616152 1069507970 /nfs/dbraw/zinc/50/79/70/1069507970.db2.gz GKHJEWWAIWQXNG-UHFFFAOYSA-N 1 0 482.607 0.107 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000509705104 1067783998 /nfs/dbraw/zinc/78/39/98/1067783998.db2.gz SYLYPXPODWSYIH-UHFFFAOYSA-N 1 0 458.607 0.921 20 0 JCADRO O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000509711357 1067784436 /nfs/dbraw/zinc/78/44/36/1067784436.db2.gz IFCKEWQHHKGAGT-KRWDZBQOSA-N 1 0 456.590 0.712 20 0 JCADRO O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000509711358 1067784373 /nfs/dbraw/zinc/78/43/73/1067784373.db2.gz IFCKEWQHHKGAGT-QGZVFWFLSA-N 1 0 456.590 0.712 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000509711476 1067784303 /nfs/dbraw/zinc/78/43/03/1067784303.db2.gz KCDRBJTWRKVLEA-UHFFFAOYSA-N 1 0 459.595 0.316 20 0 JCADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000509731459 1068060323 /nfs/dbraw/zinc/06/03/23/1068060323.db2.gz WVVDQJGRQNFCTE-AZUAARDMSA-N 1 0 450.628 0.704 20 0 JCADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000509731460 1068060113 /nfs/dbraw/zinc/06/01/13/1068060113.db2.gz WVVDQJGRQNFCTE-ICSRJNTNSA-N 1 0 450.628 0.704 20 0 JCADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000509731461 1068060171 /nfs/dbraw/zinc/06/01/71/1068060171.db2.gz WVVDQJGRQNFCTE-QUCCMNQESA-N 1 0 450.628 0.704 20 0 JCADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000509731462 1068060279 /nfs/dbraw/zinc/06/02/79/1068060279.db2.gz WVVDQJGRQNFCTE-UYAOXDASSA-N 1 0 450.628 0.704 20 0 JCADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000509796414 1068166421 /nfs/dbraw/zinc/16/64/21/1068166421.db2.gz RRCRVDIFUZSACF-UHFFFAOYSA-N 1 0 465.601 0.753 20 0 JCADRO C[NH+](C)CCn1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000509836426 1068175880 /nfs/dbraw/zinc/17/58/80/1068175880.db2.gz DLYYWHHGVJIQCM-INIZCTEOSA-N 1 0 492.023 0.818 20 0 JCADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000509836445 1068175738 /nfs/dbraw/zinc/17/57/38/1068175738.db2.gz DLYYWHHGVJIQCM-MRXNPFEDSA-N 1 0 492.023 0.818 20 0 JCADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000509854507 1068179540 /nfs/dbraw/zinc/17/95/40/1068179540.db2.gz WMMJZHVAGACVFG-UHFFFAOYSA-N 1 0 452.577 0.318 20 0 JCADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000509890316 1068190704 /nfs/dbraw/zinc/19/07/04/1068190704.db2.gz OIVBHSANYAXBIQ-UHFFFAOYSA-N 1 0 452.533 0.203 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NCCCC(=O)OC)CC1 ZINC000510015486 1068536595 /nfs/dbraw/zinc/53/65/95/1068536595.db2.gz VTUJZWDBECDWJF-UHFFFAOYSA-N 1 0 497.618 0.924 20 0 JCADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000510025084 1068761334 /nfs/dbraw/zinc/76/13/34/1068761334.db2.gz YFPSQSMQMMSHDG-DLBZAZTESA-N 1 0 451.593 0.889 20 0 JCADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000510025085 1068761277 /nfs/dbraw/zinc/76/12/77/1068761277.db2.gz YFPSQSMQMMSHDG-IAGOWNOFSA-N 1 0 451.593 0.889 20 0 JCADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000510025086 1068761346 /nfs/dbraw/zinc/76/13/46/1068761346.db2.gz YFPSQSMQMMSHDG-IRXDYDNUSA-N 1 0 451.593 0.889 20 0 JCADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000510025087 1068761172 /nfs/dbraw/zinc/76/11/72/1068761172.db2.gz YFPSQSMQMMSHDG-SJORKVTESA-N 1 0 451.593 0.889 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC000510031627 1068761147 /nfs/dbraw/zinc/76/11/47/1068761147.db2.gz XOFFBDRTKHKUSU-UHFFFAOYSA-N 1 0 497.618 0.734 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000510066225 1067651517 /nfs/dbraw/zinc/65/15/17/1067651517.db2.gz WKAZDFNBUBLOPK-UHFFFAOYSA-N 1 0 497.618 0.734 20 0 JCADRO CCN(C(=O)CSc1nnnn1CC[NH+](C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000510069087 1067652245 /nfs/dbraw/zinc/65/22/45/1067652245.db2.gz BJGOSOWUNACTCG-UHFFFAOYSA-N 1 0 473.563 0.273 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000510071754 1067652863 /nfs/dbraw/zinc/65/28/63/1067652863.db2.gz JYACEKSUSTZKSX-UHFFFAOYSA-N 1 0 460.579 0.975 20 0 JCADRO C[NH+](C)CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000510072104 1067653216 /nfs/dbraw/zinc/65/32/16/1067653216.db2.gz NTLUHXKGYDFIRS-UHFFFAOYSA-N 1 0 474.012 0.513 20 0 JCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000510077382 1067655043 /nfs/dbraw/zinc/65/50/43/1067655043.db2.gz APSQPOSOONAFQS-UHFFFAOYSA-N 1 0 451.593 0.552 20 0 JCADRO C[NH+](C)CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000510084462 1067659136 /nfs/dbraw/zinc/65/91/36/1067659136.db2.gz GZCIPCILRVFICT-UHFFFAOYSA-N 1 0 492.002 0.652 20 0 JCADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000510085956 1067659223 /nfs/dbraw/zinc/65/92/23/1067659223.db2.gz NQAGPZZFEJBALS-AWEZNQCLSA-N 1 0 469.593 0.375 20 0 JCADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000510085960 1067659060 /nfs/dbraw/zinc/65/90/60/1067659060.db2.gz NQAGPZZFEJBALS-CQSZACIVSA-N 1 0 469.593 0.375 20 0 JCADRO 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ZINC000510086893 1067659117 /nfs/dbraw/zinc/65/91/17/1067659117.db2.gz OAQHYRHTXYTKEV-UHFFFAOYSA-N 1 0 453.594 0.001 20 0 JCADRO C[NH+](C)CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000510086933 1067660402 /nfs/dbraw/zinc/66/04/02/1067660402.db2.gz OIRDNGGEZKJDSP-UHFFFAOYSA-N 1 0 480.041 0.575 20 0 JCADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000510088254 1067661415 /nfs/dbraw/zinc/66/14/15/1067661415.db2.gz SYLXKUKODYTOMQ-AWEZNQCLSA-N 1 0 469.593 0.375 20 0 JCADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000510088256 1067661505 /nfs/dbraw/zinc/66/15/05/1067661505.db2.gz SYLXKUKODYTOMQ-CQSZACIVSA-N 1 0 469.593 0.375 20 0 JCADRO CCn1c(CSc2nnnn2CC[NH+](C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000510088943 1067661334 /nfs/dbraw/zinc/66/13/34/1067661334.db2.gz QZYZZGYPHHVGPQ-UHFFFAOYSA-N 1 0 480.620 0.918 20 0 JCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000510089520 1067661996 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RJMPWMUESZLUED-UHFFFAOYSA-N 1 0 469.593 0.295 20 0 JCADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)N1CC[NH+](C)CC1 ZINC000510104758 1067671487 /nfs/dbraw/zinc/67/14/87/1067671487.db2.gz YASJWPUQEJKFFM-FQEVSTJZSA-N 1 0 465.620 0.796 20 0 JCADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)N1CC[NH+](C)CC1 ZINC000510104761 1067671552 /nfs/dbraw/zinc/67/15/52/1067671552.db2.gz YASJWPUQEJKFFM-HXUWFJFHSA-N 1 0 465.620 0.796 20 0 JCADRO C[NH+]1CCN(c2cc(CNC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)ccn2)CC1 ZINC000510105814 1067671864 /nfs/dbraw/zinc/67/18/64/1067671864.db2.gz ZBKWEOSICIYJSF-UHFFFAOYSA-N 1 0 458.588 0.946 20 0 JCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000510111454 1067673607 /nfs/dbraw/zinc/67/36/07/1067673607.db2.gz DEHVPHNFUPVAKV-UHFFFAOYSA-N 1 0 463.604 0.648 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)cn2)CC1 ZINC000510114815 1067675440 /nfs/dbraw/zinc/67/54/40/1067675440.db2.gz AEMLXHNYUPHYKF-UHFFFAOYSA-N 1 0 462.576 0.503 20 0 JCADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000510116667 1067676658 /nfs/dbraw/zinc/67/66/58/1067676658.db2.gz GNTSZKZYPWGXIM-UHFFFAOYSA-N 1 0 460.556 0.678 20 0 JCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000510121826 1067680555 /nfs/dbraw/zinc/68/05/55/1067680555.db2.gz ZIPGFYASUOLMOI-UHFFFAOYSA-N 1 0 474.587 0.729 20 0 JCADRO COc1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000510127853 1067682929 /nfs/dbraw/zinc/68/29/29/1067682929.db2.gz BFGFPAMMRDCODO-UHFFFAOYSA-N 1 0 489.598 0.793 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cn2)CC1 ZINC000510128540 1067683467 /nfs/dbraw/zinc/68/34/67/1067683467.db2.gz FFKDHWCHFPPPBC-UHFFFAOYSA-N 1 0 486.598 0.274 20 0 JCADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)CC1 ZINC000510130753 1067683417 /nfs/dbraw/zinc/68/34/17/1067683417.db2.gz LAPPOZMYSDFFIH-GOSISDBHSA-N 1 0 454.597 0.236 20 0 JCADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)CC1 ZINC000510130764 1067684126 /nfs/dbraw/zinc/68/41/26/1067684126.db2.gz LAPPOZMYSDFFIH-SFHVURJKSA-N 1 0 454.597 0.236 20 0 JCADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccn2)CC1 ZINC000510132693 1067684675 /nfs/dbraw/zinc/68/46/75/1067684675.db2.gz RNFNSFSUMAXWMG-UHFFFAOYSA-N 1 0 459.572 0.784 20 0 JCADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccn2)CC1 ZINC000510134832 1067685378 /nfs/dbraw/zinc/68/53/78/1067685378.db2.gz QRBZFLNLSSJPKK-UHFFFAOYSA-N 1 0 459.572 0.784 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000510135226 1067686617 /nfs/dbraw/zinc/68/66/17/1067686617.db2.gz ZPALEBHBKZMROS-UHFFFAOYSA-N 1 0 489.598 0.793 20 0 JCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000510139641 1067688981 /nfs/dbraw/zinc/68/89/81/1067688981.db2.gz LPJQWRSKIQAOMK-UHFFFAOYSA-N 1 0 486.598 0.871 20 0 JCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000510158311 1067694097 /nfs/dbraw/zinc/69/40/97/1067694097.db2.gz GEWHZOJWYNLKEK-INIZCTEOSA-N 1 0 451.593 0.550 20 0 JCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000510158314 1067693912 /nfs/dbraw/zinc/69/39/12/1067693912.db2.gz GEWHZOJWYNLKEK-MRXNPFEDSA-N 1 0 451.593 0.550 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)C1 ZINC000510158907 1067693234 /nfs/dbraw/zinc/69/32/34/1067693234.db2.gz JCTLFYGQFUWOSD-GOSISDBHSA-N 1 0 452.577 0.881 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)C1 ZINC000510158908 1067693371 /nfs/dbraw/zinc/69/33/71/1067693371.db2.gz JCTLFYGQFUWOSD-SFHVURJKSA-N 1 0 452.577 0.881 20 0 JCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000510160380 1067696151 /nfs/dbraw/zinc/69/61/51/1067696151.db2.gz QKKKTHXIAFEQQV-UHFFFAOYSA-N 1 0 486.598 0.871 20 0 JCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000510174339 1067705290 /nfs/dbraw/zinc/70/52/90/1067705290.db2.gz GLPMHWRWASJUCE-UHFFFAOYSA-N 1 0 465.620 0.942 20 0 JCADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000510175810 1067705216 /nfs/dbraw/zinc/70/52/16/1067705216.db2.gz HVRFBPTWTSLCHL-UHFFFAOYSA-N 1 0 494.643 0.915 20 0 JCADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000510177347 1067705726 /nfs/dbraw/zinc/70/57/26/1067705726.db2.gz SZIAKMOLVDHWCP-UHFFFAOYSA-N 1 0 486.598 0.871 20 0 JCADRO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000510178116 1067705206 /nfs/dbraw/zinc/70/52/06/1067705206.db2.gz TWAGCNOGVALCTR-HKUYNNGSSA-N 1 0 450.605 0.932 20 0 JCADRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000510178117 1067705248 /nfs/dbraw/zinc/70/52/48/1067705248.db2.gz TWAGCNOGVALCTR-IEBWSBKVSA-N 1 0 450.605 0.932 20 0 JCADRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000510178120 1067705148 /nfs/dbraw/zinc/70/51/48/1067705148.db2.gz TWAGCNOGVALCTR-MJGOQNOKSA-N 1 0 450.605 0.932 20 0 JCADRO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000510178123 1067705122 /nfs/dbraw/zinc/70/51/22/1067705122.db2.gz TWAGCNOGVALCTR-PKOBYXMFSA-N 1 0 450.605 0.932 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000510182736 1067705466 /nfs/dbraw/zinc/70/54/66/1067705466.db2.gz FRFRHNSKQOOARS-UHFFFAOYSA-N 1 0 454.531 0.243 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000510182743 1067705515 /nfs/dbraw/zinc/70/55/15/1067705515.db2.gz FWZDITADYUAVML-JOCHJYFZSA-N 1 0 499.612 0.806 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000510182744 1067705532 /nfs/dbraw/zinc/70/55/32/1067705532.db2.gz FWZDITADYUAVML-QFIPXVFZSA-N 1 0 499.612 0.806 20 0 JCADRO 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CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000511204072 1067831562 /nfs/dbraw/zinc/83/15/62/1067831562.db2.gz UPMFYQJUXDEQND-UHFFFAOYSA-N 1 0 472.634 0.510 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000511205754 1067832251 /nfs/dbraw/zinc/83/22/51/1067832251.db2.gz ZBSXDLPCLKSKFV-HSZRJFAPSA-N 1 0 472.634 0.551 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](c2ccccc2)C1 ZINC000511205768 1067831984 /nfs/dbraw/zinc/83/19/84/1067831984.db2.gz ZBSXDLPCLKSKFV-QHCPKHFHSA-N 1 0 472.634 0.551 20 0 JCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2)C[C@@H](C)O1 ZINC000511208516 1067832782 /nfs/dbraw/zinc/83/27/82/1067832782.db2.gz XYHATKUZKCAWFA-NHCUHLMSSA-N 1 0 473.618 0.982 20 0 JCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2)C[C@H](C)O1 ZINC000511208520 1067832740 /nfs/dbraw/zinc/83/27/40/1067832740.db2.gz XYHATKUZKCAWFA-OYRHEFFESA-N 1 0 473.618 0.982 20 0 JCADRO 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COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000514331954 1068539399 /nfs/dbraw/zinc/53/93/99/1068539399.db2.gz JUPDMOOEEJDZJX-NRFANRHFSA-N 1 0 462.591 0.441 20 0 JCADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000514331956 1068539206 /nfs/dbraw/zinc/53/92/06/1068539206.db2.gz JUPDMOOEEJDZJX-OAQYLSRUSA-N 1 0 462.591 0.441 20 0 JCADRO O=C(CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000514332749 1068541503 /nfs/dbraw/zinc/54/15/03/1068541503.db2.gz XFRCGZTZTFEHMP-IBGZPJMESA-N 1 0 464.588 0.463 20 0 JCADRO O=C(CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000514332750 1068541433 /nfs/dbraw/zinc/54/14/33/1068541433.db2.gz XFRCGZTZTFEHMP-LJQANCHMSA-N 1 0 464.588 0.463 20 0 JCADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000514332786 1068541772 /nfs/dbraw/zinc/54/17/72/1068541772.db2.gz YGNPEFUWAZHYAA-IBGZPJMESA-N 1 0 452.577 0.380 20 0 JCADRO 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CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCCC1 ZINC000514333447 1068545779 /nfs/dbraw/zinc/54/57/79/1068545779.db2.gz NLPKURHFYWVOPP-FQEVSTJZSA-N 1 0 493.630 0.762 20 0 JCADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCCC1 ZINC000514333448 1068545719 /nfs/dbraw/zinc/54/57/19/1068545719.db2.gz NLPKURHFYWVOPP-HXUWFJFHSA-N 1 0 493.630 0.762 20 0 JCADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000514333677 1068545399 /nfs/dbraw/zinc/54/53/99/1068545399.db2.gz RCAGPBWOKAVSHH-UHFFFAOYSA-N 1 0 452.625 0.452 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 ZINC000514333692 1068545125 /nfs/dbraw/zinc/54/51/25/1068545125.db2.gz ROFOVARHFDYKFH-IBGZPJMESA-N 1 0 493.580 0.898 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)C1 ZINC000514333693 1068545828 /nfs/dbraw/zinc/54/58/28/1068545828.db2.gz ROFOVARHFDYKFH-LJQANCHMSA-N 1 0 493.580 0.898 20 0 JCADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514333802 1068544613 /nfs/dbraw/zinc/54/46/13/1068544613.db2.gz GTMFIYPDGFMKMO-UHFFFAOYSA-N 1 0 471.558 0.141 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2)CC1 ZINC000514333829 1068544654 /nfs/dbraw/zinc/54/46/54/1068544654.db2.gz HOIHCRQHVFJQSC-UHFFFAOYSA-N 1 0 498.628 0.479 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000514333830 1068544682 /nfs/dbraw/zinc/54/46/82/1068544682.db2.gz HPAPOTSNCDABEO-FQEVSTJZSA-N 1 0 473.574 0.547 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000514333831 1068544675 /nfs/dbraw/zinc/54/46/75/1068544675.db2.gz HPAPOTSNCDABEO-HXUWFJFHSA-N 1 0 473.574 0.547 20 0 JCADRO CCCn1c(CCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000514333866 1068545325 /nfs/dbraw/zinc/54/53/25/1068545325.db2.gz IPZSKOVQPXYXAE-INIZCTEOSA-N 1 0 478.619 0.730 20 0 JCADRO CCCn1c(CCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000514333945 1068544237 /nfs/dbraw/zinc/54/42/37/1068544237.db2.gz IPZSKOVQPXYXAE-MRXNPFEDSA-N 1 0 478.619 0.730 20 0 JCADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1OC ZINC000514333975 1068544080 /nfs/dbraw/zinc/54/40/80/1068544080.db2.gz IYQCNZTUTKGVET-INIZCTEOSA-N 1 0 498.602 0.042 20 0 JCADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1OC ZINC000514333978 1068544103 /nfs/dbraw/zinc/54/41/03/1068544103.db2.gz IYQCNZTUTKGVET-MRXNPFEDSA-N 1 0 498.602 0.042 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000514334044 1068543680 /nfs/dbraw/zinc/54/36/80/1068543680.db2.gz JRRBMKVLULHQPX-NRFANRHFSA-N 1 0 457.575 0.612 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc2)CC1 ZINC000514334046 1068543744 /nfs/dbraw/zinc/54/37/44/1068543744.db2.gz JRRBMKVLULHQPX-OAQYLSRUSA-N 1 0 457.575 0.612 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC000514334316 1068543827 /nfs/dbraw/zinc/54/38/27/1068543827.db2.gz ZKLRRGSHSIIWDT-UHFFFAOYSA-N 1 0 498.584 0.693 20 0 JCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c2ccccc2O1 ZINC000514334331 1068549122 /nfs/dbraw/zinc/54/91/22/1068549122.db2.gz ZQYGHNHISUNTEN-FQEVSTJZSA-N 1 0 473.574 0.401 20 0 JCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c2ccccc2O1 ZINC000514334333 1068549242 /nfs/dbraw/zinc/54/92/42/1068549242.db2.gz ZQYGHNHISUNTEN-HXUWFJFHSA-N 1 0 473.574 0.401 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000514334334 1068549020 /nfs/dbraw/zinc/54/90/20/1068549020.db2.gz ZRVDVRNJXRRONJ-UHFFFAOYSA-N 1 0 481.619 0.513 20 0 JCADRO CCOc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1S(=O)(=O)N(C)C ZINC000514334359 1068549229 /nfs/dbraw/zinc/54/92/29/1068549229.db2.gz OHPNQLQFKPREFN-UHFFFAOYSA-N 1 0 481.619 0.514 20 0 JCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c2ccccc2O1 ZINC000514334420 1068549566 /nfs/dbraw/zinc/54/95/66/1068549566.db2.gz QWZYHRAMZLKIFX-NRFANRHFSA-N 1 0 457.575 0.547 20 0 JCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c2ccccc2O1 ZINC000514334421 1068549532 /nfs/dbraw/zinc/54/95/32/1068549532.db2.gz QWZYHRAMZLKIFX-OAQYLSRUSA-N 1 0 457.575 0.547 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2)CC1 ZINC000514334427 1068549793 /nfs/dbraw/zinc/54/97/93/1068549793.db2.gz RAZBJGHDTDMQFM-UHFFFAOYSA-N 1 0 484.645 0.919 20 0 JCADRO C[N@H+](CCOc1cccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1)C1CCOCC1 ZINC000514334565 1068548520 /nfs/dbraw/zinc/54/85/20/1068548520.db2.gz VUNDPYIPXGIJRO-UHFFFAOYSA-N 1 0 465.576 0.727 20 0 JCADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514334568 1068549171 /nfs/dbraw/zinc/54/91/71/1068549171.db2.gz VVNHXKSOJIAGAG-UHFFFAOYSA-N 1 0 485.585 0.183 20 0 JCADRO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1)n1cncn1 ZINC000514334613 1068549334 /nfs/dbraw/zinc/54/93/34/1068549334.db2.gz XGPQURRDIQWZLF-GOSISDBHSA-N 1 0 468.562 0.656 20 0 JCADRO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1)n1cncn1 ZINC000514334614 1068549090 /nfs/dbraw/zinc/54/90/90/1068549090.db2.gz XGPQURRDIQWZLF-SFHVURJKSA-N 1 0 468.562 0.656 20 0 JCADRO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000514334641 1068548045 /nfs/dbraw/zinc/54/80/45/1068548045.db2.gz YMJHPLFNAAGCDE-UHFFFAOYSA-N 1 0 459.547 0.158 20 0 JCADRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)CC1 ZINC000514334666 1068548167 /nfs/dbraw/zinc/54/81/67/1068548167.db2.gz YWDWLONYNGYPFR-UHFFFAOYSA-N 1 0 485.585 0.387 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000514334908 1068547233 /nfs/dbraw/zinc/54/72/33/1068547233.db2.gz HLJBKGRQHRPSDR-INIZCTEOSA-N 1 0 452.577 0.803 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000514334909 1068547144 /nfs/dbraw/zinc/54/71/44/1068547144.db2.gz HLJBKGRQHRPSDR-MRXNPFEDSA-N 1 0 452.577 0.803 20 0 JCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000514335012 1068547536 /nfs/dbraw/zinc/54/75/36/1068547536.db2.gz LLITXDJKBSCXSW-HDICACEKSA-N 1 0 481.619 0.227 20 0 JCADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)CC2)C[C@@H](C)O1 ZINC000514335013 1068547699 /nfs/dbraw/zinc/54/76/99/1068547699.db2.gz LLITXDJKBSCXSW-QZTJIDSGSA-N 1 0 481.619 0.227 20 0 JCADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000514335014 1068547757 /nfs/dbraw/zinc/54/77/57/1068547757.db2.gz LLITXDJKBSCXSW-ROUUACIJSA-N 1 0 481.619 0.227 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 ZINC000514335079 1068547125 /nfs/dbraw/zinc/54/71/25/1068547125.db2.gz NPABUPMRPVVXOH-UHFFFAOYSA-N 1 0 485.589 0.598 20 0 JCADRO 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CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000515892517 1068856231 /nfs/dbraw/zinc/85/62/31/1068856231.db2.gz KVIZDOIDPSWXPP-UHFFFAOYSA-N 1 0 452.515 0.729 20 0 JCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000515893521 1068856744 /nfs/dbraw/zinc/85/67/44/1068856744.db2.gz BBSPJSSCVBPJMG-UHFFFAOYSA-N 1 0 493.568 0.208 20 0 JCADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000515893638 1068856828 /nfs/dbraw/zinc/85/68/28/1068856828.db2.gz IAAZSVZLXJOLID-UHFFFAOYSA-N 1 0 465.558 0.285 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3OCCC(N)=O)cn2)CC1 ZINC000515894241 1068857296 /nfs/dbraw/zinc/85/72/96/1068857296.db2.gz AQWXXWRFMSSMAK-UHFFFAOYSA-N 1 0 454.531 0.733 20 0 JCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000515894902 1068857767 /nfs/dbraw/zinc/85/77/67/1068857767.db2.gz UPQMUCHMTPBWOS-JOCHJYFZSA-N 1 0 471.602 0.935 20 0 JCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000515894903 1068857729 /nfs/dbraw/zinc/85/77/29/1068857729.db2.gz UPQMUCHMTPBWOS-QFIPXVFZSA-N 1 0 471.602 0.935 20 0 JCADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000515895311 1068857669 /nfs/dbraw/zinc/85/76/69/1068857669.db2.gz GWCNYMGNXBIGFS-UHFFFAOYSA-N 1 0 479.585 0.280 20 0 JCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515896633 1068858451 /nfs/dbraw/zinc/85/84/51/1068858451.db2.gz POAPJRQVYRQQDQ-JOCHJYFZSA-N 1 0 487.601 0.173 20 0 JCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515896634 1068858403 /nfs/dbraw/zinc/85/84/03/1068858403.db2.gz POAPJRQVYRQQDQ-QFIPXVFZSA-N 1 0 487.601 0.173 20 0 JCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000515897227 1068861597 /nfs/dbraw/zinc/86/15/97/1068861597.db2.gz CBLDJZAUZKNANC-UHFFFAOYSA-N 1 0 478.615 0.979 20 0 JCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2O1 ZINC000515897579 1068861048 /nfs/dbraw/zinc/86/10/48/1068861048.db2.gz AJHRXHPSGARLLB-JOCHJYFZSA-N 1 0 465.554 0.855 20 0 JCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2O1 ZINC000515897580 1068861801 /nfs/dbraw/zinc/86/18/01/1068861801.db2.gz AJHRXHPSGARLLB-QFIPXVFZSA-N 1 0 465.554 0.855 20 0 JCADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000515898129 1068862317 /nfs/dbraw/zinc/86/23/17/1068862317.db2.gz DZDULPMOXSFMPY-UHFFFAOYSA-N 1 0 473.555 0.124 20 0 JCADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000515898198 1068862372 /nfs/dbraw/zinc/86/23/72/1068862372.db2.gz LTLLYXDUSOUYTI-UHFFFAOYSA-N 1 0 472.539 0.014 20 0 JCADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 ZINC000515898586 1068861895 /nfs/dbraw/zinc/86/18/95/1068861895.db2.gz QPJPWEWKVLMYFE-UHFFFAOYSA-N 1 0 479.585 0.593 20 0 JCADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000515898629 1068861632 /nfs/dbraw/zinc/86/16/32/1068861632.db2.gz SKNGUOFFGAOELJ-UHFFFAOYSA-N 1 0 499.609 0.319 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000515899175 1068862943 /nfs/dbraw/zinc/86/29/43/1068862943.db2.gz GWILPDCLFCMIBP-UHFFFAOYSA-N 1 0 459.572 0.878 20 0 JCADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccc(CCN4CCOCC4)cc3)ccn2)CC1 ZINC000515899465 1068862425 /nfs/dbraw/zinc/86/24/25/1068862425.db2.gz UIXSRICHBHCVOG-UHFFFAOYSA-N 1 0 466.586 0.963 20 0 JCADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000515901357 1068862872 /nfs/dbraw/zinc/86/28/72/1068862872.db2.gz IXYQLYWWQNKZQD-UHFFFAOYSA-N 1 0 499.593 0.526 20 0 JCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+](C)C)cc1OC ZINC000515913739 1068865217 /nfs/dbraw/zinc/86/52/17/1068865217.db2.gz KMGXRQTUCMHDJM-INIZCTEOSA-N 1 0 484.513 0.007 20 0 JCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+](C)C)cc1OC ZINC000515913740 1068865364 /nfs/dbraw/zinc/86/53/64/1068865364.db2.gz KMGXRQTUCMHDJM-MRXNPFEDSA-N 1 0 484.513 0.007 20 0 JCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[NH+](C)C)cc1OC ZINC000515913765 1068864815 /nfs/dbraw/zinc/86/48/15/1068864815.db2.gz LDVBRGANAZOUKP-KRWDZBQOSA-N 1 0 470.530 0.393 20 0 JCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[NH+](C)C)cc1OC ZINC000515913766 1068865494 /nfs/dbraw/zinc/86/54/94/1068865494.db2.gz LDVBRGANAZOUKP-QGZVFWFLSA-N 1 0 470.530 0.393 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000515914648 1068865320 /nfs/dbraw/zinc/86/53/20/1068865320.db2.gz SMNUXBSJMNNXER-KRWDZBQOSA-N 1 0 486.566 0.258 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000515914649 1068865571 /nfs/dbraw/zinc/86/55/71/1068865571.db2.gz SMNUXBSJMNNXER-QGZVFWFLSA-N 1 0 486.566 0.258 20 0 JCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+]2CCCCC2)cc1 ZINC000515916593 1068865400 /nfs/dbraw/zinc/86/54/00/1068865400.db2.gz JRQOKYADLIXGQC-FQEVSTJZSA-N 1 0 494.552 0.923 20 0 JCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+]2CCCCC2)cc1 ZINC000515916595 1068865625 /nfs/dbraw/zinc/86/56/25/1068865625.db2.gz JRQOKYADLIXGQC-HXUWFJFHSA-N 1 0 494.552 0.923 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1 ZINC000515917129 1068866188 /nfs/dbraw/zinc/86/61/88/1068866188.db2.gz ZUUSGVAUHOEOIX-NRFANRHFSA-N 1 0 459.591 0.415 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1 ZINC000515917130 1068865876 /nfs/dbraw/zinc/86/58/76/1068865876.db2.gz ZUUSGVAUHOEOIX-OAQYLSRUSA-N 1 0 459.591 0.415 20 0 JCADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[NH+]2CCCC2)c1 ZINC000515917857 1068865979 /nfs/dbraw/zinc/86/59/79/1068865979.db2.gz CHIWUPVRPTVIDE-FQEVSTJZSA-N 1 0 466.542 0.918 20 0 JCADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[NH+]2CCCC2)c1 ZINC000515917858 1068866307 /nfs/dbraw/zinc/86/63/07/1068866307.db2.gz CHIWUPVRPTVIDE-HXUWFJFHSA-N 1 0 466.542 0.918 20 0 JCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc(F)c1 ZINC000515920953 1068863845 /nfs/dbraw/zinc/86/38/45/1068863845.db2.gz YAPVRZGOIWGQPR-IBGZPJMESA-N 1 0 491.545 0.304 20 0 JCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc(F)c1 ZINC000515920954 1068863724 /nfs/dbraw/zinc/86/37/24/1068863724.db2.gz YAPVRZGOIWGQPR-LJQANCHMSA-N 1 0 491.545 0.304 20 0 JCADRO COc1ccccc1[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCCCC1 ZINC000515931163 1068869369 /nfs/dbraw/zinc/86/93/69/1068869369.db2.gz ZWOOGEALHLMXSO-KRWDZBQOSA-N 1 0 454.531 0.786 20 0 JCADRO COc1ccccc1[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+]1CCCCC1 ZINC000515931182 1068869056 /nfs/dbraw/zinc/86/90/56/1068869056.db2.gz ZWOOGEALHLMXSO-QGZVFWFLSA-N 1 0 454.531 0.786 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)cc2)CC1 ZINC000515940056 1069588451 /nfs/dbraw/zinc/58/84/51/1069588451.db2.gz KUWWIYYABZTZFY-UHFFFAOYSA-N 1 0 497.600 0.842 20 0 JCADRO Cc1cc(CN2CCN(C(=O)C(=O)Nc3cccc(C[NH+]4CCC(C(N)=O)CC4)c3)CC2)on1 ZINC000515942194 1068868040 /nfs/dbraw/zinc/86/80/40/1068868040.db2.gz IIIGBXFIXZOFFZ-UHFFFAOYSA-N 1 0 468.558 0.963 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cnc2n(C)c1=O ZINC000515942951 1068868469 /nfs/dbraw/zinc/86/84/69/1068868469.db2.gz VMDDQWXUILEXTO-UHFFFAOYSA-N 1 0 450.499 0.305 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)CC1 ZINC000515944909 1068875379 /nfs/dbraw/zinc/87/53/79/1068875379.db2.gz BXPQMXVOBUCCEF-FQEVSTJZSA-N 1 0 471.558 0.172 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2)CC1 ZINC000515944910 1068875507 /nfs/dbraw/zinc/87/55/07/1068875507.db2.gz BXPQMXVOBUCCEF-HXUWFJFHSA-N 1 0 471.558 0.172 20 0 JCADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC000515945825 1068876073 /nfs/dbraw/zinc/87/60/73/1068876073.db2.gz FWWODGQSHWJNGH-UHFFFAOYSA-N 1 0 499.612 0.919 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)CC1 ZINC000515949560 1068878699 /nfs/dbraw/zinc/87/86/99/1068878699.db2.gz QTDJQDYJWHNCMT-UHFFFAOYSA-N 1 0 467.526 0.900 20 0 JCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000515953951 1068873282 /nfs/dbraw/zinc/87/32/82/1068873282.db2.gz MLGVNVLJJQYFHD-UHFFFAOYSA-N 1 0 455.556 0.446 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)cnc2n(C)c1=O ZINC000515954360 1068873308 /nfs/dbraw/zinc/87/33/08/1068873308.db2.gz WHDIYEOAXOSULS-UHFFFAOYSA-N 1 0 493.568 0.289 20 0 JCADRO CCN(CCO)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](CC)CC1 ZINC000515955321 1068873672 /nfs/dbraw/zinc/87/36/72/1068873672.db2.gz NFYILBACMLXHAI-UHFFFAOYSA-N 1 0 483.635 0.638 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000515956642 1068874308 /nfs/dbraw/zinc/87/43/08/1068874308.db2.gz HOPZEXXNYLMHFX-UHFFFAOYSA-N 1 0 493.630 0.194 20 0 JCADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)c(C)c2)CC1 ZINC000515957618 1068874212 /nfs/dbraw/zinc/87/42/12/1068874212.db2.gz UQMXYXHUEQBEQD-UHFFFAOYSA-N 1 0 470.618 0.842 20 0 JCADRO O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000515957716 1068874441 /nfs/dbraw/zinc/87/44/41/1068874441.db2.gz XUNSGIHSWQQOBJ-UHFFFAOYSA-N 1 0 467.567 0.544 20 0 JCADRO CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000515959129 1068884274 /nfs/dbraw/zinc/88/42/74/1068884274.db2.gz PVXWTTNOROAQLY-UHFFFAOYSA-N 1 0 465.620 0.944 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000515960012 1068884295 /nfs/dbraw/zinc/88/42/95/1068884295.db2.gz JHCGBGAGOOUXNK-UHFFFAOYSA-N 1 0 495.646 0.904 20 0 JCADRO Cc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1S(=O)(=O)N(C)C ZINC000515960519 1068879416 /nfs/dbraw/zinc/87/94/16/1068879416.db2.gz UQKNZRTXLHSJCM-UHFFFAOYSA-N 1 0 451.593 0.424 20 0 JCADRO Cc1cc(CN2CCN(C(=O)C(=O)Nc3cccc(C[NH+]4CCC(C(N)=O)CC4)c3)CC2)no1 ZINC000515969390 1068881226 /nfs/dbraw/zinc/88/12/26/1068881226.db2.gz XOHZCPAAFGFGDI-UHFFFAOYSA-N 1 0 468.558 0.963 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2)CC1 ZINC000515971472 1068881839 /nfs/dbraw/zinc/88/18/39/1068881839.db2.gz ONDQMNSCSFFJBM-UHFFFAOYSA-N 1 0 484.601 0.056 20 0 JCADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000515974068 1068886069 /nfs/dbraw/zinc/88/60/69/1068886069.db2.gz LCMGSAWYBOYPBA-UHFFFAOYSA-N 1 0 481.619 0.572 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)c2)CC1 ZINC000516010978 1068887111 /nfs/dbraw/zinc/88/71/11/1068887111.db2.gz NTIOMHSTXYHJJY-UHFFFAOYSA-N 1 0 494.600 0.051 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000516012239 1068892711 /nfs/dbraw/zinc/89/27/11/1068892711.db2.gz JJUQJADWEXXIRO-KRWDZBQOSA-N 1 0 481.619 0.485 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000516012241 1068892442 /nfs/dbraw/zinc/89/24/42/1068892442.db2.gz JJUQJADWEXXIRO-QGZVFWFLSA-N 1 0 481.619 0.485 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000516013680 1068893195 /nfs/dbraw/zinc/89/31/95/1068893195.db2.gz BHTPQKAUFOERFT-UHFFFAOYSA-N 1 0 480.617 0.491 20 0 JCADRO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000516015406 1068894246 /nfs/dbraw/zinc/89/42/46/1068894246.db2.gz CKVUFVADTBLSAK-UHFFFAOYSA-N 1 0 450.561 0.733 20 0 JCADRO COc1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000516016771 1068895015 /nfs/dbraw/zinc/89/50/15/1068895015.db2.gz AYSBYTFQZGQBET-UHFFFAOYSA-N 1 0 468.576 0.455 20 0 JCADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000516017735 1068894938 /nfs/dbraw/zinc/89/49/38/1068894938.db2.gz OVLKZTDRCDIULX-UHFFFAOYSA-N 1 0 479.603 0.326 20 0 JCADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1C ZINC000516019896 1068894899 /nfs/dbraw/zinc/89/48/99/1068894899.db2.gz XGDBJTUGHYDNAS-UHFFFAOYSA-N 1 0 473.599 0.905 20 0 JCADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000516021165 1068895512 /nfs/dbraw/zinc/89/55/12/1068895512.db2.gz GWWSULPBMVPQQI-UHFFFAOYSA-N 1 0 468.576 0.455 20 0 JCADRO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000516021656 1068895556 /nfs/dbraw/zinc/89/55/56/1068895556.db2.gz WVGCNYWDZWSXEJ-UHFFFAOYSA-N 1 0 450.561 0.736 20 0 JCADRO O=C(Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1)N1CCOCC1 ZINC000516021777 1068895528 /nfs/dbraw/zinc/89/55/28/1068895528.db2.gz RGDXFPMTVDYQDY-UHFFFAOYSA-N 1 0 458.559 0.597 20 0 JCADRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1S(=O)(=O)N(C)C ZINC000516022026 1068895466 /nfs/dbraw/zinc/89/54/66/1068895466.db2.gz YDJUHPYUOZYCEJ-UHFFFAOYSA-N 1 0 452.577 0.755 20 0 JCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2O1 ZINC000516022683 1068895547 /nfs/dbraw/zinc/89/55/47/1068895547.db2.gz XJUDYGIQGOBZEL-NRFANRHFSA-N 1 0 485.585 0.367 20 0 JCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2O1 ZINC000516022684 1068895434 /nfs/dbraw/zinc/89/54/34/1068895434.db2.gz XJUDYGIQGOBZEL-OAQYLSRUSA-N 1 0 485.585 0.367 20 0 JCADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000516023268 1068896193 /nfs/dbraw/zinc/89/61/93/1068896193.db2.gz JPFAALLMRYCUFW-UHFFFAOYSA-N 1 0 456.540 0.585 20 0 JCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000516023344 1068896009 /nfs/dbraw/zinc/89/60/09/1068896009.db2.gz BJYLAYUXSDTNEK-UHFFFAOYSA-N 1 0 473.599 0.939 20 0 JCADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000516023431 1068895581 /nfs/dbraw/zinc/89/55/81/1068895581.db2.gz MCVKBIRYRCMTAB-UHFFFAOYSA-N 1 0 459.547 0.330 20 0 JCADRO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000516023796 1068895445 /nfs/dbraw/zinc/89/54/45/1068895445.db2.gz IKADCYKTYADDRK-UHFFFAOYSA-N 1 0 487.582 0.822 20 0 JCADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000516024442 1068895918 /nfs/dbraw/zinc/89/59/18/1068895918.db2.gz TYEKCLTVYCXHFM-UHFFFAOYSA-N 1 0 456.551 0.688 20 0 JCADRO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000516024911 1068895989 /nfs/dbraw/zinc/89/59/89/1068895989.db2.gz VZVYCEVISIZRBG-UHFFFAOYSA-N 1 0 499.612 0.938 20 0 JCADRO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000516024934 1068896153 /nfs/dbraw/zinc/89/61/53/1068896153.db2.gz XRPINSFIOPEJMV-UHFFFAOYSA-N 1 0 472.590 0.720 20 0 JCADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000516025456 1068895869 /nfs/dbraw/zinc/89/58/69/1068895869.db2.gz IWECIBFXIQNTIN-UHFFFAOYSA-N 1 0 490.582 0.903 20 0 JCADRO C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1)n1cncn1 ZINC000516026577 1068896604 /nfs/dbraw/zinc/89/66/04/1068896604.db2.gz RIHOIDTWNYHRQJ-KRWDZBQOSA-N 1 0 469.546 0.987 20 0 JCADRO C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1)n1cncn1 ZINC000516026578 1068896744 /nfs/dbraw/zinc/89/67/44/1068896744.db2.gz RIHOIDTWNYHRQJ-QGZVFWFLSA-N 1 0 469.546 0.987 20 0 JCADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000516027015 1068889050 /nfs/dbraw/zinc/88/90/50/1068889050.db2.gz ZRBFLOPCMRJYHS-UHFFFAOYSA-N 1 0 471.602 0.657 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc2)CC1 ZINC000516028685 1068890419 /nfs/dbraw/zinc/89/04/19/1068890419.db2.gz YRMQRUROSRBUFR-UHFFFAOYSA-N 1 0 491.600 0.788 20 0 JCADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000516029109 1068891453 /nfs/dbraw/zinc/89/14/53/1068891453.db2.gz ZEHSUJNOXOALNH-UHFFFAOYSA-N 1 0 452.519 0.721 20 0 JCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc2O1 ZINC000516034250 1068903334 /nfs/dbraw/zinc/90/33/34/1068903334.db2.gz QPBYVJGORXWITH-JOCHJYFZSA-N 1 0 465.554 0.590 20 0 JCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc2O1 ZINC000516034251 1068903448 /nfs/dbraw/zinc/90/34/48/1068903448.db2.gz QPBYVJGORXWITH-QFIPXVFZSA-N 1 0 465.554 0.590 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)cc2)CC1 ZINC000516038069 1068904612 /nfs/dbraw/zinc/90/46/12/1068904612.db2.gz OQPFMSWENMZIET-UHFFFAOYSA-N 1 0 469.590 0.664 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)c2)CC1 ZINC000516039189 1068905164 /nfs/dbraw/zinc/90/51/64/1068905164.db2.gz UPZDZOJOGMYHIA-UHFFFAOYSA-N 1 0 483.573 0.223 20 0 JCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000516040611 1070082516 /nfs/dbraw/zinc/08/25/16/1070082516.db2.gz AWDQHDSFNQONLP-HNNXBMFYSA-N 1 0 456.540 0.633 20 0 JCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000516040612 1068905822 /nfs/dbraw/zinc/90/58/22/1068905822.db2.gz AWDQHDSFNQONLP-OAHLLOKOSA-N 1 0 456.540 0.633 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(NS(=O)(=O)CC)CC3)cc2)CC1 ZINC000516041263 1068897230 /nfs/dbraw/zinc/89/72/30/1068897230.db2.gz JBFYVJJIECQPMH-UHFFFAOYSA-N 1 0 465.620 0.693 20 0 JCADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000516041899 1068905792 /nfs/dbraw/zinc/90/57/92/1068905792.db2.gz OAIQDOCEEMDUOU-UHFFFAOYSA-N 1 0 493.630 0.643 20 0 JCADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000516050241 1068907558 /nfs/dbraw/zinc/90/75/58/1068907558.db2.gz FENVJELOZLEGLT-UHFFFAOYSA-N 1 0 493.612 0.671 20 0 JCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000516050428 1068906960 /nfs/dbraw/zinc/90/69/60/1068906960.db2.gz GPSGZBSTXSLXRS-UHFFFAOYSA-N 1 0 461.544 0.494 20 0 JCADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000516051387 1068907965 /nfs/dbraw/zinc/90/79/65/1068907965.db2.gz QVXHONBHGKKSTH-NRFANRHFSA-N 1 0 456.543 0.630 20 0 JCADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000516051583 1068907440 /nfs/dbraw/zinc/90/74/40/1068907440.db2.gz QVXHONBHGKKSTH-OAQYLSRUSA-N 1 0 456.543 0.630 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000516054039 1068909559 /nfs/dbraw/zinc/90/95/59/1068909559.db2.gz RHEFBRGADGSVGF-UHFFFAOYSA-N 1 0 480.587 0.645 20 0 JCADRO CCN(CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)S(C)(=O)=O ZINC000516064684 1068913012 /nfs/dbraw/zinc/91/30/12/1068913012.db2.gz ZRZJAVDTXKDWEA-UHFFFAOYSA-N 1 0 467.592 0.110 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cnc2n(C)c1=O ZINC000516064774 1068912343 /nfs/dbraw/zinc/91/23/43/1068912343.db2.gz XKINLQDMAOYXRC-UHFFFAOYSA-N 1 0 456.547 0.685 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(=O)n(C)c2)CC1 ZINC000516072766 1068915885 /nfs/dbraw/zinc/91/58/85/1068915885.db2.gz BAODUDGAYQEHFF-UHFFFAOYSA-N 1 0 489.598 0.800 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C(=O)N(C)CCOC)c1 ZINC000516085845 1068915072 /nfs/dbraw/zinc/91/50/72/1068915072.db2.gz QSWCUVFCHUMQMD-UHFFFAOYSA-N 1 0 483.635 0.902 20 0 JCADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)cc2)CC1 ZINC000516087130 1068914824 /nfs/dbraw/zinc/91/48/24/1068914824.db2.gz YZRAPNWGFIHCGK-NRFANRHFSA-N 1 0 487.626 0.850 20 0 JCADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cc2)CC1 ZINC000516087131 1068914957 /nfs/dbraw/zinc/91/49/57/1068914957.db2.gz YZRAPNWGFIHCGK-OAQYLSRUSA-N 1 0 487.626 0.850 20 0 JCADRO COc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000516090352 1068918649 /nfs/dbraw/zinc/91/86/49/1068918649.db2.gz JOTTTXDOCMMEPT-UHFFFAOYSA-N 1 0 482.603 0.845 20 0 JCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000516090686 1068918011 /nfs/dbraw/zinc/91/80/11/1068918011.db2.gz ZDKBSELQYVEZHO-NFBKMPQASA-N 1 0 480.565 0.929 20 0 JCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000516090687 1068918030 /nfs/dbraw/zinc/91/80/30/1068918030.db2.gz ZDKBSELQYVEZHO-NZQKXSOJSA-N 1 0 480.565 0.929 20 0 JCADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000516090688 1068917789 /nfs/dbraw/zinc/91/77/89/1068917789.db2.gz ZDKBSELQYVEZHO-OFNKIYASSA-N 1 0 480.565 0.929 20 0 JCADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000516090689 1068917959 /nfs/dbraw/zinc/91/79/59/1068917959.db2.gz ZDKBSELQYVEZHO-REWPJTCUSA-N 1 0 480.565 0.929 20 0 JCADRO 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CC[N@@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 ZINC000518650209 1069276040 /nfs/dbraw/zinc/27/60/40/1069276040.db2.gz CCPKJZYMDCVGCT-GOSISDBHSA-N 1 0 466.604 0.616 20 0 JCADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 ZINC000518650210 1069275963 /nfs/dbraw/zinc/27/59/63/1069275963.db2.gz CCPKJZYMDCVGCT-SFHVURJKSA-N 1 0 466.604 0.616 20 0 JCADRO Cn1c2ncn(CCC(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)c2c(=O)n(C)c1=O ZINC000518653163 1069275851 /nfs/dbraw/zinc/27/58/51/1069275851.db2.gz UVYJISCTGYOJEC-UHFFFAOYSA-N 1 0 450.543 0.873 20 0 JCADRO CCS(=O)(=O)N(C)CCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000518655212 1069276069 /nfs/dbraw/zinc/27/60/69/1069276069.db2.gz FSNKKBWQMBLGDJ-IBGZPJMESA-N 1 0 453.609 0.855 20 0 JCADRO CCS(=O)(=O)N(C)CCCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000518655213 1069276011 /nfs/dbraw/zinc/27/60/11/1069276011.db2.gz FSNKKBWQMBLGDJ-LJQANCHMSA-N 1 0 453.609 0.855 20 0 JCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000518656990 1069599568 /nfs/dbraw/zinc/59/95/68/1069599568.db2.gz RXRLYHQFJORHJM-GOSISDBHSA-N 1 0 450.547 0.880 20 0 JCADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000518656991 1069599851 /nfs/dbraw/zinc/59/98/51/1069599851.db2.gz RXRLYHQFJORHJM-SFHVURJKSA-N 1 0 450.547 0.880 20 0 JCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)c2)C1 ZINC000518658931 1069277249 /nfs/dbraw/zinc/27/72/49/1069277249.db2.gz IZCPFLNZHKGDRF-IBGZPJMESA-N 1 0 489.598 0.663 20 0 JCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)c2)C1 ZINC000518658932 1069277412 /nfs/dbraw/zinc/27/74/12/1069277412.db2.gz IZCPFLNZHKGDRF-LJQANCHMSA-N 1 0 489.598 0.663 20 0 JCADRO COCCn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCC[N@H+](C)C1)c(=O)n2Cc1ccccc1 ZINC000518662348 1069277746 /nfs/dbraw/zinc/27/77/46/1069277746.db2.gz DBYXBEAZIGCQAL-IBGZPJMESA-N 1 0 468.558 0.512 20 0 JCADRO COCCn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCC[N@H+](C)C1)c(=O)n2Cc1ccccc1 ZINC000518662349 1069278048 /nfs/dbraw/zinc/27/80/48/1069278048.db2.gz DBYXBEAZIGCQAL-LJQANCHMSA-N 1 0 468.558 0.512 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000518665643 1069278473 /nfs/dbraw/zinc/27/84/73/1069278473.db2.gz QLGJYOICWYFCNM-IBGZPJMESA-N 1 0 451.593 0.303 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000518665644 1069278508 /nfs/dbraw/zinc/27/85/08/1069278508.db2.gz QLGJYOICWYFCNM-LJQANCHMSA-N 1 0 451.593 0.303 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000518667979 1069276548 /nfs/dbraw/zinc/27/65/48/1069276548.db2.gz PKGXDWMUOINHNO-GOSISDBHSA-N 1 0 467.592 0.237 20 0 JCADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000518667980 1069276463 /nfs/dbraw/zinc/27/64/63/1069276463.db2.gz PKGXDWMUOINHNO-SFHVURJKSA-N 1 0 467.592 0.237 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000518672933 1069280043 /nfs/dbraw/zinc/28/00/43/1069280043.db2.gz GGBQJJKTAJQIEI-UHFFFAOYSA-N 1 0 492.378 0.981 20 0 JCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000518675835 1069281186 /nfs/dbraw/zinc/28/11/86/1069281186.db2.gz RSNUSOSTCBTJLX-GOSISDBHSA-N 1 0 487.582 0.547 20 0 JCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000518675836 1069281027 /nfs/dbraw/zinc/28/10/27/1069281027.db2.gz RSNUSOSTCBTJLX-SFHVURJKSA-N 1 0 487.582 0.547 20 0 JCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000518676577 1069280447 /nfs/dbraw/zinc/28/04/47/1069280447.db2.gz JEODSXXTFXXGPT-IBGZPJMESA-N 1 0 451.527 0.667 20 0 JCADRO NC(=O)Cc1ccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000518676578 1069280376 /nfs/dbraw/zinc/28/03/76/1069280376.db2.gz JEODSXXTFXXGPT-LJQANCHMSA-N 1 0 451.527 0.667 20 0 JCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000518703422 1069284660 /nfs/dbraw/zinc/28/46/60/1069284660.db2.gz MNYGBCIRSKGNCC-FQEVSTJZSA-N 1 0 472.590 0.262 20 0 JCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000518703423 1069284376 /nfs/dbraw/zinc/28/43/76/1069284376.db2.gz MNYGBCIRSKGNCC-HXUWFJFHSA-N 1 0 472.590 0.262 20 0 JCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)c2)C1 ZINC000518704238 1069284410 /nfs/dbraw/zinc/28/44/10/1069284410.db2.gz BDQDYUXIOIWNOG-FQEVSTJZSA-N 1 0 456.591 0.490 20 0 JCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)c2)C1 ZINC000518704239 1069284562 /nfs/dbraw/zinc/28/45/62/1069284562.db2.gz BDQDYUXIOIWNOG-HXUWFJFHSA-N 1 0 456.591 0.490 20 0 JCADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000518708486 1069285076 /nfs/dbraw/zinc/28/50/76/1069285076.db2.gz YCRDMDDAIQUAGU-UHFFFAOYSA-N 1 0 454.593 0.614 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3([N@@H+]4CCOC(C)(C)C4)CCCCC3)cnc2n(C)c1=O ZINC000518719889 1069285534 /nfs/dbraw/zinc/28/55/34/1069285534.db2.gz LCHDQDRISHZWFP-UHFFFAOYSA-N 1 0 486.573 0.501 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000518732336 1069289841 /nfs/dbraw/zinc/28/98/41/1069289841.db2.gz GEQZEGWWFFINSI-UHFFFAOYSA-N 1 0 453.609 0.141 20 0 JCADRO C[NH+]1CCN(CCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000518732471 1069289881 /nfs/dbraw/zinc/28/98/81/1069289881.db2.gz VMXAHNJZXYBAKE-GOSISDBHSA-N 1 0 495.067 0.175 20 0 JCADRO C[NH+]1CCN(CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000518732472 1069290005 /nfs/dbraw/zinc/29/00/05/1069290005.db2.gz VMXAHNJZXYBAKE-SFHVURJKSA-N 1 0 495.067 0.175 20 0 JCADRO C[NH+]1CCN(CCCNC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000518733242 1069290394 /nfs/dbraw/zinc/29/03/94/1069290394.db2.gz BNZCQFQESCBPDJ-UHFFFAOYSA-N 1 0 475.409 0.556 20 0 JCADRO C[NH+]1CCN(CCCNC(=O)c2cc(I)ccc2-n2cnnn2)CC1 ZINC000518733306 1069290648 /nfs/dbraw/zinc/29/06/48/1069290648.db2.gz JNTIUJDFAVBHHI-UHFFFAOYSA-N 1 0 455.304 0.634 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000518734119 1069290604 /nfs/dbraw/zinc/29/06/04/1069290604.db2.gz GEPUWNXVJBFDMX-UHFFFAOYSA-N 1 0 481.663 0.921 20 0 JCADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCCN3CC[NH+](C)CC3)CC2)c1 ZINC000518735309 1069291215 /nfs/dbraw/zinc/29/12/15/1069291215.db2.gz JUQGVOJOHIOTTR-UHFFFAOYSA-N 1 0 493.674 0.670 20 0 JCADRO CN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000518736954 1069288770 /nfs/dbraw/zinc/28/87/70/1069288770.db2.gz BQYPJWJAUAHULH-UHFFFAOYSA-N 1 0 494.618 0.061 20 0 JCADRO CCN(C1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1)S(C)(=O)=O ZINC000518737945 1069289224 /nfs/dbraw/zinc/28/92/24/1069289224.db2.gz IDXZZVJXMNQXCU-UHFFFAOYSA-N 1 0 467.640 0.834 20 0 JCADRO NC(=O)C1(CNC(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCOCC1 ZINC000518747403 1069292212 /nfs/dbraw/zinc/29/22/12/1069292212.db2.gz FRKWZDGMESCMCO-UHFFFAOYSA-N 1 0 459.547 0.838 20 0 JCADRO CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000518748128 1069293461 /nfs/dbraw/zinc/29/34/61/1069293461.db2.gz GXCHBOOSVDBVOA-IBGZPJMESA-N 1 0 479.603 0.980 20 0 JCADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000518748129 1069293527 /nfs/dbraw/zinc/29/35/27/1069293527.db2.gz GXCHBOOSVDBVOA-LJQANCHMSA-N 1 0 479.603 0.980 20 0 JCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000518748198 1069292878 /nfs/dbraw/zinc/29/28/78/1069292878.db2.gz JFVUOTUFUQHOKA-GOSISDBHSA-N 1 0 453.561 0.805 20 0 JCADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000518748199 1069293436 /nfs/dbraw/zinc/29/34/36/1069293436.db2.gz JFVUOTUFUQHOKA-SFHVURJKSA-N 1 0 453.561 0.805 20 0 JCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000518749273 1069293632 /nfs/dbraw/zinc/29/36/32/1069293632.db2.gz XJXVEORJQPBBHO-HKUYNNGSSA-N 1 0 466.604 0.720 20 0 JCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000518749274 1069293558 /nfs/dbraw/zinc/29/35/58/1069293558.db2.gz XJXVEORJQPBBHO-IEBWSBKVSA-N 1 0 466.604 0.720 20 0 JCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000518749275 1069294010 /nfs/dbraw/zinc/29/40/10/1069294010.db2.gz XJXVEORJQPBBHO-MJGOQNOKSA-N 1 0 466.604 0.720 20 0 JCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000518749276 1069294155 /nfs/dbraw/zinc/29/41/55/1069294155.db2.gz XJXVEORJQPBBHO-PKOBYXMFSA-N 1 0 466.604 0.720 20 0 JCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCCC[NH+]3CCN(C)CC3)c2)CC1 ZINC000518749335 1069294281 /nfs/dbraw/zinc/29/42/81/1069294281.db2.gz CYYHBLQJJKXIFG-UHFFFAOYSA-N 1 0 465.620 0.297 20 0 JCADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000518750073 1067844751 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C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000519314933 1069334627 /nfs/dbraw/zinc/33/46/27/1069334627.db2.gz ILTNLDJNQSHEPV-QGZVFWFLSA-N 1 0 452.577 0.883 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000519315001 1069334578 /nfs/dbraw/zinc/33/45/78/1069334578.db2.gz LUUBDJUALAAWJC-GOSISDBHSA-N 1 0 495.646 0.806 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000519315002 1069334450 /nfs/dbraw/zinc/33/44/50/1069334450.db2.gz LUUBDJUALAAWJC-SFHVURJKSA-N 1 0 495.646 0.806 20 0 JCADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[NH+](C)C)cc1 ZINC000519316800 1069333298 /nfs/dbraw/zinc/33/32/98/1069333298.db2.gz GEOMIQMXJKNAHB-FQEVSTJZSA-N 1 0 487.582 0.473 20 0 JCADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[NH+](C)C)cc1 ZINC000519316801 1069333502 /nfs/dbraw/zinc/33/35/02/1069333502.db2.gz GEOMIQMXJKNAHB-HXUWFJFHSA-N 1 0 487.582 0.473 20 0 JCADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000519318122 1069333534 /nfs/dbraw/zinc/33/35/34/1069333534.db2.gz URLCMKULOGEFFK-INIZCTEOSA-N 1 0 468.576 0.501 20 0 JCADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000519318123 1069333377 /nfs/dbraw/zinc/33/33/77/1069333377.db2.gz URLCMKULOGEFFK-MRXNPFEDSA-N 1 0 468.576 0.501 20 0 JCADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000519318308 1069333427 /nfs/dbraw/zinc/33/34/27/1069333427.db2.gz FRCBHETVKZVCPC-KRWDZBQOSA-N 1 0 482.603 0.891 20 0 JCADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000519318310 1069333612 /nfs/dbraw/zinc/33/36/12/1069333612.db2.gz FRCBHETVKZVCPC-QGZVFWFLSA-N 1 0 482.603 0.891 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000519337673 1069337778 /nfs/dbraw/zinc/33/77/78/1069337778.db2.gz NUPJGMCNBXATLN-UHFFFAOYSA-N 1 0 473.599 0.987 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cccc(S(=O)(=O)NC)c3)cc2)CC1 ZINC000519337847 1069338020 /nfs/dbraw/zinc/33/80/20/1069338020.db2.gz XXEWDMVLXFBZRN-UHFFFAOYSA-N 1 0 473.599 0.987 20 0 JCADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000519340562 1069336160 /nfs/dbraw/zinc/33/61/60/1069336160.db2.gz MBTPXFIITGWGDS-UHFFFAOYSA-N 1 0 486.617 0.261 20 0 JCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000519341424 1069336936 /nfs/dbraw/zinc/33/69/36/1069336936.db2.gz CEKIIIVOYUMUDS-UHFFFAOYSA-N 1 0 479.603 0.374 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000519355038 1069339488 /nfs/dbraw/zinc/33/94/88/1069339488.db2.gz HBIIDOCXYKJOAL-UHFFFAOYSA-N 1 0 458.607 0.704 20 0 JCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000519364712 1069340576 /nfs/dbraw/zinc/34/05/76/1069340576.db2.gz AYMPRTDURLIUIC-AWEZNQCLSA-N 1 0 468.484 0.816 20 0 JCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000519364713 1069340500 /nfs/dbraw/zinc/34/05/00/1069340500.db2.gz AYMPRTDURLIUIC-CQSZACIVSA-N 1 0 468.484 0.816 20 0 JCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000519365043 1069340620 /nfs/dbraw/zinc/34/06/20/1069340620.db2.gz ONPOFVVTUOALNY-HNNXBMFYSA-N 1 0 461.382 0.574 20 0 JCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000519365044 1069340720 /nfs/dbraw/zinc/34/07/20/1069340720.db2.gz ONPOFVVTUOALNY-OAHLLOKOSA-N 1 0 461.382 0.574 20 0 JCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000519368510 1069339346 /nfs/dbraw/zinc/33/93/46/1069339346.db2.gz SNSSAABYRMUGLZ-INIZCTEOSA-N 1 0 499.590 0.039 20 0 JCADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000519368511 1069339405 /nfs/dbraw/zinc/33/94/05/1069339405.db2.gz SNSSAABYRMUGLZ-MRXNPFEDSA-N 1 0 499.590 0.039 20 0 JCADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000519372707 1069339687 /nfs/dbraw/zinc/33/96/87/1069339687.db2.gz DRGBCMYFMSVTAY-GOSISDBHSA-N 1 0 455.556 0.618 20 0 JCADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000519372768 1069339298 /nfs/dbraw/zinc/33/92/98/1069339298.db2.gz DRGBCMYFMSVTAY-SFHVURJKSA-N 1 0 455.556 0.618 20 0 JCADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000519387164 1069341266 /nfs/dbraw/zinc/34/12/66/1069341266.db2.gz RXSPUUPDNIUIPE-UHFFFAOYSA-N 1 0 489.617 0.693 20 0 JCADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000519388269 1069341293 /nfs/dbraw/zinc/34/12/93/1069341293.db2.gz HBQVJZCEBOCSAI-UHFFFAOYSA-N 1 0 493.008 0.617 20 0 JCADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408320 1069342472 /nfs/dbraw/zinc/34/24/72/1069342472.db2.gz NHVOXCDMGHPVFZ-PBHICJAKSA-N 1 0 466.025 0.880 20 0 JCADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408321 1069342168 /nfs/dbraw/zinc/34/21/68/1069342168.db2.gz NHVOXCDMGHPVFZ-RHSMWYFYSA-N 1 0 466.025 0.880 20 0 JCADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408322 1069342322 /nfs/dbraw/zinc/34/23/22/1069342322.db2.gz NHVOXCDMGHPVFZ-WMLDXEAASA-N 1 0 466.025 0.880 20 0 JCADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408323 1069342421 /nfs/dbraw/zinc/34/24/21/1069342421.db2.gz NHVOXCDMGHPVFZ-YOEHRIQHSA-N 1 0 466.025 0.880 20 0 JCADRO Cn1c2ncc(C(=O)NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519418398 1069343528 /nfs/dbraw/zinc/34/35/28/1069343528.db2.gz UADDZUNWQJQQOJ-KRWDZBQOSA-N 1 0 464.526 0.260 20 0 JCADRO Cn1c2ncc(C(=O)NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519418399 1069342072 /nfs/dbraw/zinc/34/20/72/1069342072.db2.gz UADDZUNWQJQQOJ-QGZVFWFLSA-N 1 0 464.526 0.260 20 0 JCADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519426092 1069342967 /nfs/dbraw/zinc/34/29/67/1069342967.db2.gz DRVHRAKXDPKFIJ-CABCVRRESA-N 1 0 452.353 0.398 20 0 JCADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519426093 1069343031 /nfs/dbraw/zinc/34/30/31/1069343031.db2.gz DRVHRAKXDPKFIJ-GJZGRUSLSA-N 1 0 452.353 0.398 20 0 JCADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519426094 1069342828 /nfs/dbraw/zinc/34/28/28/1069342828.db2.gz DRVHRAKXDPKFIJ-HUUCEWRRSA-N 1 0 452.353 0.398 20 0 JCADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519426095 1069343097 /nfs/dbraw/zinc/34/30/97/1069343097.db2.gz DRVHRAKXDPKFIJ-LSDHHAIUSA-N 1 0 452.353 0.398 20 0 JCADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)s3)c2)C1 ZINC000519427639 1069342689 /nfs/dbraw/zinc/34/26/89/1069342689.db2.gz RBKKLPFXEKJKFO-INIZCTEOSA-N 1 0 450.586 0.952 20 0 JCADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)s3)c2)C1 ZINC000519427673 1069343133 /nfs/dbraw/zinc/34/31/33/1069343133.db2.gz RBKKLPFXEKJKFO-MRXNPFEDSA-N 1 0 450.586 0.952 20 0 JCADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000519431915 1069344646 /nfs/dbraw/zinc/34/46/46/1069344646.db2.gz WKVRIOYRSGSQCD-GOSISDBHSA-N 1 0 480.612 0.771 20 0 JCADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000519431916 1069344983 /nfs/dbraw/zinc/34/49/83/1069344983.db2.gz WKVRIOYRSGSQCD-SFHVURJKSA-N 1 0 480.612 0.771 20 0 JCADRO Cc1nc(COc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)no1 ZINC000519436386 1069344765 /nfs/dbraw/zinc/34/47/65/1069344765.db2.gz MCRGLGMCZQOHDI-GOSISDBHSA-N 1 0 458.519 0.954 20 0 JCADRO Cc1nc(COc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2)no1 ZINC000519436387 1069344819 /nfs/dbraw/zinc/34/48/19/1069344819.db2.gz MCRGLGMCZQOHDI-SFHVURJKSA-N 1 0 458.519 0.954 20 0 JCADRO Cc1c(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cccc1-n1cnnn1 ZINC000519438262 1069343434 /nfs/dbraw/zinc/34/34/34/1069343434.db2.gz BCLKISWIWJSTOE-IBGZPJMESA-N 1 0 476.541 0.923 20 0 JCADRO Cc1c(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cccc1-n1cnnn1 ZINC000519438263 1069343723 /nfs/dbraw/zinc/34/37/23/1069343723.db2.gz BCLKISWIWJSTOE-LJQANCHMSA-N 1 0 476.541 0.923 20 0 JCADRO NC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000519438547 1069343502 /nfs/dbraw/zinc/34/35/02/1069343502.db2.gz OVUXTNYARSEKKV-INIZCTEOSA-N 1 0 455.490 0.877 20 0 JCADRO NC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000519438548 1069343551 /nfs/dbraw/zinc/34/35/51/1069343551.db2.gz OVUXTNYARSEKKV-MRXNPFEDSA-N 1 0 455.490 0.877 20 0 JCADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000519438614 1069343407 /nfs/dbraw/zinc/34/34/07/1069343407.db2.gz SEHLZLQWDDQZDY-UHFFFAOYSA-N 1 0 458.519 0.908 20 0 JCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000519440506 1069343984 /nfs/dbraw/zinc/34/39/84/1069343984.db2.gz JOYFLSODWQKORI-UHFFFAOYSA-N 1 0 450.341 0.722 20 0 JCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cn1 ZINC000519442352 1069344227 /nfs/dbraw/zinc/34/42/27/1069344227.db2.gz HJKJVLGBZMFAPL-KRWDZBQOSA-N 1 0 473.555 0.437 20 0 JCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cn1 ZINC000519442353 1069344121 /nfs/dbraw/zinc/34/41/21/1069344121.db2.gz HJKJVLGBZMFAPL-QGZVFWFLSA-N 1 0 473.555 0.437 20 0 JCADRO Cn1c2ncc(NC(=O)NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519447891 1069346465 /nfs/dbraw/zinc/34/64/65/1069346465.db2.gz MICCZXARJBKWDF-KRWDZBQOSA-N 1 0 479.541 0.651 20 0 JCADRO Cn1c2ncc(NC(=O)NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519447892 1069346867 /nfs/dbraw/zinc/34/68/67/1069346867.db2.gz MICCZXARJBKWDF-QGZVFWFLSA-N 1 0 479.541 0.651 20 0 JCADRO 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1070501356 /nfs/dbraw/zinc/50/13/56/1070501356.db2.gz BWPNVLYQFKGWCR-IAGOWNOFSA-N 1 0 465.576 0.052 20 0 JCADRO COc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000570463657 1070502161 /nfs/dbraw/zinc/50/21/61/1070502161.db2.gz BWPNVLYQFKGWCR-IRXDYDNUSA-N 1 0 465.576 0.052 20 0 JCADRO COc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000570463658 1070501968 /nfs/dbraw/zinc/50/19/68/1070501968.db2.gz BWPNVLYQFKGWCR-SJORKVTESA-N 1 0 465.576 0.052 20 0 JCADRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000570463750 1070502184 /nfs/dbraw/zinc/50/21/84/1070502184.db2.gz FKJQQWNAIPKXFI-MOPGFXCFSA-N 1 0 472.567 0.900 20 0 JCADRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000570463751 1070501714 /nfs/dbraw/zinc/50/17/14/1070501714.db2.gz FKJQQWNAIPKXFI-OALUTQOASA-N 1 0 472.567 0.900 20 0 JCADRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000570463752 1070501225 /nfs/dbraw/zinc/50/12/25/1070501225.db2.gz FKJQQWNAIPKXFI-RBUKOAKNSA-N 1 0 472.567 0.900 20 0 JCADRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000570463753 1070501279 /nfs/dbraw/zinc/50/12/79/1070501279.db2.gz FKJQQWNAIPKXFI-RTBURBONSA-N 1 0 472.567 0.900 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)n2CC ZINC000570464242 1070502094 /nfs/dbraw/zinc/50/20/94/1070502094.db2.gz NRPUQHSEQJAJDD-AEFFLSMTSA-N 1 0 490.630 0.790 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)n2CC ZINC000570464244 1067900096 /nfs/dbraw/zinc/90/00/96/1067900096.db2.gz NRPUQHSEQJAJDD-FUHWJXTLSA-N 1 0 490.630 0.790 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)n2CC ZINC000570464246 1070501879 /nfs/dbraw/zinc/50/18/79/1070501879.db2.gz NRPUQHSEQJAJDD-SJLPKXTDSA-N 1 0 490.630 0.790 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)n2CC ZINC000570464247 1070501781 /nfs/dbraw/zinc/50/17/81/1070501781.db2.gz NRPUQHSEQJAJDD-WMZOPIPTSA-N 1 0 490.630 0.790 20 0 JCADRO COCCCN(C(=O)CN1CCC[N@H+](C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000570686892 1070502134 /nfs/dbraw/zinc/50/21/34/1070502134.db2.gz DOSYZFYGQFPPAR-UHFFFAOYSA-N 1 0 458.563 0.586 20 0 JCADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000570740825 1070502689 /nfs/dbraw/zinc/50/26/89/1070502689.db2.gz QBJDRRSBFZVYFN-MOPGFXCFSA-N 1 0 463.604 0.742 20 0 JCADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000570740826 1070502544 /nfs/dbraw/zinc/50/25/44/1070502544.db2.gz QBJDRRSBFZVYFN-OALUTQOASA-N 1 0 463.604 0.742 20 0 JCADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000570740827 1070502789 /nfs/dbraw/zinc/50/27/89/1070502789.db2.gz QBJDRRSBFZVYFN-RBUKOAKNSA-N 1 0 463.604 0.742 20 0 JCADRO Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000570740828 1070502477 /nfs/dbraw/zinc/50/24/77/1070502477.db2.gz QBJDRRSBFZVYFN-RTBURBONSA-N 1 0 463.604 0.742 20 0 JCADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3Cc3ccccc3)CCN2C1=O ZINC000570816937 1070502817 /nfs/dbraw/zinc/50/28/17/1070502817.db2.gz XTHCSAMIXDXWTB-NQSCKRDGSA-N 1 0 461.522 0.270 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3Cc3ccccc3)CCN2C1=O ZINC000570816940 1070502773 /nfs/dbraw/zinc/50/27/73/1070502773.db2.gz XTHCSAMIXDXWTB-UCNVEGJOSA-N 1 0 461.522 0.270 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3)CCN2C1=O ZINC000570816941 1070502806 /nfs/dbraw/zinc/50/28/06/1070502806.db2.gz XTHCSAMIXDXWTB-WEYGHZABSA-N 1 0 461.522 0.270 20 0 JCADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3)CCN2C1=O ZINC000570816942 1070502743 /nfs/dbraw/zinc/50/27/43/1070502743.db2.gz XTHCSAMIXDXWTB-ZNLUXHQJSA-N 1 0 461.522 0.270 20 0 JCADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000571060208 1070438580 /nfs/dbraw/zinc/43/85/80/1070438580.db2.gz COEVRXDKGVQIGL-BXUZGUMPSA-N 1 0 450.439 0.024 20 0 JCADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000571060209 1070438608 /nfs/dbraw/zinc/43/86/08/1070438608.db2.gz COEVRXDKGVQIGL-FZMZJTMJSA-N 1 0 450.439 0.024 20 0 JCADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000571060210 1070438695 /nfs/dbraw/zinc/43/86/95/1070438695.db2.gz COEVRXDKGVQIGL-RISCZKNCSA-N 1 0 450.439 0.024 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000571060211 1070438706 /nfs/dbraw/zinc/43/87/06/1070438706.db2.gz COEVRXDKGVQIGL-SMDDNHRTSA-N 1 0 450.439 0.024 20 0 JCADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571179568 1070438636 /nfs/dbraw/zinc/43/86/36/1070438636.db2.gz SPJCWNPIPYHTFV-AZUAARDMSA-N 1 0 457.556 0.694 20 0 JCADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571179569 1070438431 /nfs/dbraw/zinc/43/84/31/1070438431.db2.gz SPJCWNPIPYHTFV-ICSRJNTNSA-N 1 0 457.556 0.694 20 0 JCADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571179570 1070438668 /nfs/dbraw/zinc/43/86/68/1070438668.db2.gz SPJCWNPIPYHTFV-QUCCMNQESA-N 1 0 457.556 0.694 20 0 JCADRO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000571179571 1070438527 /nfs/dbraw/zinc/43/85/27/1070438527.db2.gz SPJCWNPIPYHTFV-UYAOXDASSA-N 1 0 457.556 0.694 20 0 JCADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CN3CCN(Cc4ccc(Br)cc4F)CC3)CCN2C1=O ZINC000571225978 1070439482 /nfs/dbraw/zinc/43/94/82/1070439482.db2.gz GGSOUXIVFYIGMH-AEFFLSMTSA-N 1 0 468.371 0.476 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CN3CCN(Cc4ccc(Br)cc4F)CC3)CCN2C1=O ZINC000571225979 1070439553 /nfs/dbraw/zinc/43/95/53/1070439553.db2.gz GGSOUXIVFYIGMH-FUHWJXTLSA-N 1 0 468.371 0.476 20 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1067755235 /nfs/dbraw/zinc/75/52/35/1067755235.db2.gz FTQUIAWZTFTFQC-NVXWUHKLSA-N 1 0 476.603 0.307 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)n2C ZINC000580571822 1067755070 /nfs/dbraw/zinc/75/50/70/1067755070.db2.gz FTQUIAWZTFTFQC-RDJZCZTQSA-N 1 0 476.603 0.307 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)n2C ZINC000580571823 1067755127 /nfs/dbraw/zinc/75/51/27/1067755127.db2.gz FTQUIAWZTFTFQC-WBVHZDCISA-N 1 0 476.603 0.307 20 0 JCADRO COc1ccc(NC(=O)CCN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380938 1067765957 /nfs/dbraw/zinc/76/59/57/1067765957.db2.gz KADKWIDHLGJDGO-MSOLQXFVSA-N 1 0 479.603 0.442 20 0 JCADRO COc1ccc(NC(=O)CCN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1CCCCC1 ZINC000581380939 1067766225 /nfs/dbraw/zinc/76/62/25/1067766225.db2.gz KADKWIDHLGJDGO-QZTJIDSGSA-N 1 0 479.603 0.442 20 0 JCADRO COc1ccc(NC(=O)CCN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N1CCCCC1 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COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000581618947 1067771115 /nfs/dbraw/zinc/77/11/15/1067771115.db2.gz SYAIAOPPSDKWED-JOCBIADPSA-N 1 0 464.588 0.746 20 0 JCADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CCN2C1=O ZINC000581619148 1067771147 /nfs/dbraw/zinc/77/11/47/1067771147.db2.gz ZIFJRFRMGIEEMZ-GDBMZVCRSA-N 1 0 474.505 0.877 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CCN2C1=O ZINC000581619149 1067771024 /nfs/dbraw/zinc/77/10/24/1067771024.db2.gz ZIFJRFRMGIEEMZ-GOEBONIOSA-N 1 0 474.505 0.877 20 0 JCADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CCN2C1=O ZINC000581619150 1067771008 /nfs/dbraw/zinc/77/10/08/1067771008.db2.gz ZIFJRFRMGIEEMZ-HOCLYGCPSA-N 1 0 474.505 0.877 20 0 JCADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CCN2C1=O ZINC000581619151 1067770937 /nfs/dbraw/zinc/77/09/37/1067770937.db2.gz ZIFJRFRMGIEEMZ-ZBFHGGJFSA-N 1 0 474.505 0.877 20 0 JCADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000581961575 1067781982 /nfs/dbraw/zinc/78/19/82/1067781982.db2.gz GAPZPLPHEKJWIO-INIZCTEOSA-N 1 0 479.646 0.257 20 0 JCADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000581961576 1067781929 /nfs/dbraw/zinc/78/19/29/1067781929.db2.gz GAPZPLPHEKJWIO-MRXNPFEDSA-N 1 0 479.646 0.257 20 0 JCADRO CCCCCn1c(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000582133479 1067809423 /nfs/dbraw/zinc/80/94/23/1067809423.db2.gz YEZDEHQPOBNHPS-DLBZAZTESA-N 1 0 487.605 0.992 20 0 JCADRO CCCCCn1c(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000582133480 1067809608 /nfs/dbraw/zinc/80/96/08/1067809608.db2.gz YEZDEHQPOBNHPS-IAGOWNOFSA-N 1 0 487.605 0.992 20 0 JCADRO CCCCCn1c(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000582133481 1067809568 /nfs/dbraw/zinc/80/95/68/1067809568.db2.gz 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UTWNTUNPUVBDQR-IAGOWNOFSA-N 1 0 461.563 0.503 20 0 JCADRO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582557816 1067819456 /nfs/dbraw/zinc/81/94/56/1067819456.db2.gz UTWNTUNPUVBDQR-IRXDYDNUSA-N 1 0 461.563 0.503 20 0 JCADRO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582557817 1067819378 /nfs/dbraw/zinc/81/93/78/1067819378.db2.gz UTWNTUNPUVBDQR-SJORKVTESA-N 1 0 461.563 0.503 20 0 JCADRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N(CC)CC ZINC000582736742 1067826313 /nfs/dbraw/zinc/82/63/13/1067826313.db2.gz HMMSOFIIIDSVSP-DLBZAZTESA-N 1 0 467.592 0.298 20 0 JCADRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N(CC)CC ZINC000582736743 1067826129 /nfs/dbraw/zinc/82/61/29/1067826129.db2.gz HMMSOFIIIDSVSP-IAGOWNOFSA-N 1 0 467.592 0.298 20 0 JCADRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1S(=O)(=O)N(CC)CC ZINC000582736744 1067826068 /nfs/dbraw/zinc/82/60/68/1067826068.db2.gz HMMSOFIIIDSVSP-IRXDYDNUSA-N 1 0 467.592 0.298 20 0 JCADRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(=O)(=O)N(CC)CC ZINC000582736745 1067826241 /nfs/dbraw/zinc/82/62/41/1067826241.db2.gz HMMSOFIIIDSVSP-SJORKVTESA-N 1 0 467.592 0.298 20 0 JCADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000582861543 1067832850 /nfs/dbraw/zinc/83/28/50/1067832850.db2.gz JUEYAXPDBCAHDT-UHFFFAOYSA-N 1 0 462.494 0.750 20 0 JCADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000582982768 1067839365 /nfs/dbraw/zinc/83/93/65/1067839365.db2.gz YNUNPEFDQCNCAZ-UHFFFAOYSA-N 1 0 466.542 0.561 20 0 JCADRO C[N@H+](CCN1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1)Cc1ccccc1 ZINC000583102635 1067842686 /nfs/dbraw/zinc/84/26/86/1067842686.db2.gz MBNLGZXIXVCTNN-UHFFFAOYSA-N 1 0 487.582 0.518 20 0 JCADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583452146 1067860912 /nfs/dbraw/zinc/86/09/12/1067860912.db2.gz ULNPTZNWATUICY-DFBGVHRSSA-N 1 0 454.314 0.969 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583452147 1067848326 /nfs/dbraw/zinc/84/83/26/1067848326.db2.gz ULNPTZNWATUICY-GLQYFDAESA-N 1 0 454.314 0.969 20 0 JCADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583452148 1067848355 /nfs/dbraw/zinc/84/83/55/1067848355.db2.gz ULNPTZNWATUICY-KCPJHIHWSA-N 1 0 454.314 0.969 20 0 JCADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583452149 1067863021 /nfs/dbraw/zinc/86/30/21/1067863021.db2.gz ULNPTZNWATUICY-NILFDRSVSA-N 1 0 454.314 0.969 20 0 JCADRO CC[NH+]1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000583705798 1067850546 /nfs/dbraw/zinc/85/05/46/1067850546.db2.gz ZIYGKLWZMROFLF-UHFFFAOYSA-N 1 0 473.621 0.082 20 0 JCADRO C[NH+](C)CCCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000583710771 1067851283 /nfs/dbraw/zinc/85/12/83/1067851283.db2.gz 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C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 ZINC000589554437 1070534805 /nfs/dbraw/zinc/53/48/05/1070534805.db2.gz YOKRYWKRCPTSRY-UHFFFAOYSA-N 1 0 489.598 0.392 20 0 JCADRO CN1CCN(S(=O)(=O)c2ccc(NCc3cccc(C(=O)NCC[NH+](C)C)c3)nc2)CC1 ZINC000589594060 1070538036 /nfs/dbraw/zinc/53/80/36/1070538036.db2.gz UZFOZMILDALWQQ-UHFFFAOYSA-N 1 0 460.604 0.921 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000589624873 1070537168 /nfs/dbraw/zinc/53/71/68/1070537168.db2.gz PTOQTZXZBGSBEO-UHFFFAOYSA-N 1 0 468.601 0.707 20 0 JCADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000589625399 1070537272 /nfs/dbraw/zinc/53/72/72/1070537272.db2.gz YYJHTSCFQCUIIB-UHFFFAOYSA-N 1 0 480.612 0.897 20 0 JCADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000589625536 1070537450 /nfs/dbraw/zinc/53/74/50/1070537450.db2.gz NLHPIEFRDCLVHI-UHFFFAOYSA-N 1 0 468.601 0.707 20 0 JCADRO 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CS(=O)(=O)Nc1cccc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000589642922 1070538436 /nfs/dbraw/zinc/53/84/36/1070538436.db2.gz QMVSJAUJDUQVPA-UHFFFAOYSA-N 1 0 453.590 0.695 20 0 JCADRO CCCS(=O)(=O)N1CCC(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589674549 1070539031 /nfs/dbraw/zinc/53/90/31/1070539031.db2.gz IAZIVPXXOMMHNU-UHFFFAOYSA-N 1 0 453.609 0.981 20 0 JCADRO CCCS(=O)(=O)NC1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000589674555 1070539062 /nfs/dbraw/zinc/53/90/62/1070539062.db2.gz IMAICFFUNJRNIX-UHFFFAOYSA-N 1 0 453.609 0.981 20 0 JCADRO Cc1cc(NC(=O)CN2CCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)no1 ZINC000589675772 1070539002 /nfs/dbraw/zinc/53/90/02/1070539002.db2.gz BTXSHMTXNMTPAF-UHFFFAOYSA-N 1 0 471.562 0.740 20 0 JCADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000589675927 1070538923 /nfs/dbraw/zinc/53/89/23/1070538923.db2.gz DELMGRKRSNNMGJ-UHFFFAOYSA-N 1 0 474.587 0.589 20 0 JCADRO 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ZINC000591751705 1070692883 /nfs/dbraw/zinc/69/28/83/1070692883.db2.gz FHVSGYNSZCCAPO-UHFFFAOYSA-N 1 0 460.560 0.537 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000591751806 1070692962 /nfs/dbraw/zinc/69/29/62/1070692962.db2.gz IBUQAXOYQRGFOQ-UHFFFAOYSA-N 1 0 466.546 0.663 20 0 JCADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000591751864 1070692858 /nfs/dbraw/zinc/69/28/58/1070692858.db2.gz JJXLRXWNVQQCKH-UHFFFAOYSA-N 1 0 468.558 0.979 20 0 JCADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)cc2NC1=O ZINC000591752201 1070693381 /nfs/dbraw/zinc/69/33/81/1070693381.db2.gz IUDQLFGGSFKCOZ-INIZCTEOSA-N 1 0 467.530 0.853 20 0 JCADRO C[C@H]1Oc2ccc(NC(=O)C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)cc2NC1=O ZINC000591752202 1070693486 /nfs/dbraw/zinc/69/34/86/1070693486.db2.gz IUDQLFGGSFKCOZ-MRXNPFEDSA-N 1 0 467.530 0.853 20 0 JCADRO CCNC(=O)c1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000591752216 1070693434 /nfs/dbraw/zinc/69/34/34/1070693434.db2.gz JKEOZGWYWRRFNP-UHFFFAOYSA-N 1 0 453.547 0.883 20 0 JCADRO Cn1c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)cc2n(C)c1=O ZINC000591752231 1070693271 /nfs/dbraw/zinc/69/32/71/1070693271.db2.gz KAZMOGXPSNEWAV-UHFFFAOYSA-N 1 0 466.546 0.324 20 0 JCADRO CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591752234 1070693639 /nfs/dbraw/zinc/69/36/39/1070693639.db2.gz KGAFXTDJFNBKST-UHFFFAOYSA-N 1 0 460.560 0.537 20 0 JCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000591752236 1070693463 /nfs/dbraw/zinc/69/34/63/1070693463.db2.gz KGQIMQLEWMGRJL-UHFFFAOYSA-N 1 0 475.575 0.042 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000591752342 1070693650 /nfs/dbraw/zinc/69/36/50/1070693650.db2.gz NDXWRAAVJCEBNX-UHFFFAOYSA-N 1 0 463.546 0.774 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000591752371 1070693516 /nfs/dbraw/zinc/69/35/16/1070693516.db2.gz OSOCAJSIYPTJAA-UHFFFAOYSA-N 1 0 450.507 0.109 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000591752466 1070693592 /nfs/dbraw/zinc/69/35/92/1070693592.db2.gz ADNHXDOTNLHXEE-UHFFFAOYSA-N 1 0 495.584 0.606 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000591752493 1070693553 /nfs/dbraw/zinc/69/35/53/1070693553.db2.gz BKHMVJMMIDBMNO-UHFFFAOYSA-N 1 0 463.546 0.774 20 0 JCADRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000591752504 1070693617 /nfs/dbraw/zinc/69/36/17/1070693617.db2.gz CWDXUUPVETZIEK-UHFFFAOYSA-N 1 0 467.574 0.764 20 0 JCADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)cc2C1=O ZINC000591752539 1070694353 /nfs/dbraw/zinc/69/43/53/1070694353.db2.gz GHQOJKLOHFXGGV-UHFFFAOYSA-N 1 0 465.514 0.360 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000591752590 1070694383 /nfs/dbraw/zinc/69/43/83/1070694383.db2.gz QOMUMSUHDVCCEG-UHFFFAOYSA-N 1 0 493.568 0.783 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000591752699 1070694203 /nfs/dbraw/zinc/69/42/03/1070694203.db2.gz VLIAFVCJFNBBRD-UHFFFAOYSA-N 1 0 466.546 0.663 20 0 JCADRO COc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1-n1nnnc1C ZINC000591752771 1070694303 /nfs/dbraw/zinc/69/43/03/1070694303.db2.gz WUIKLKJOGXKOEL-UHFFFAOYSA-N 1 0 494.560 0.426 20 0 JCADRO CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1F ZINC000591752792 1070694266 /nfs/dbraw/zinc/69/42/66/1070694266.db2.gz XRGDRKPEFFLDKY-UHFFFAOYSA-N 1 0 496.540 0.815 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000591752827 1070693670 /nfs/dbraw/zinc/69/36/70/1070693670.db2.gz ISAAXKXUHUQTOO-UHFFFAOYSA-N 1 0 495.584 0.606 20 0 JCADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1C ZINC000591752845 1070693301 /nfs/dbraw/zinc/69/33/01/1070693301.db2.gz JHMJRYMROUDQBX-UHFFFAOYSA-N 1 0 453.547 0.802 20 0 JCADRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1-n1cnnn1 ZINC000591752854 1070693406 /nfs/dbraw/zinc/69/34/06/1070693406.db2.gz JKVVTCHYHZZLNR-UHFFFAOYSA-N 1 0 464.534 0.418 20 0 JCADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000591752862 1070693325 /nfs/dbraw/zinc/69/33/25/1070693325.db2.gz YBMAWCDJPZVDQQ-UHFFFAOYSA-N 1 0 490.568 0.739 20 0 JCADRO Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)ccc1-n1cnnn1 ZINC000591752890 1070693352 /nfs/dbraw/zinc/69/33/52/1070693352.db2.gz KVYXOGNTEHQAHR-UHFFFAOYSA-N 1 0 464.534 0.418 20 0 JCADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000591752960 1070694395 /nfs/dbraw/zinc/69/43/95/1070694395.db2.gz LWJPDEQOXMZABC-UHFFFAOYSA-N 1 0 453.547 0.422 20 0 JCADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000591753283 1070693577 /nfs/dbraw/zinc/69/35/77/1070693577.db2.gz PZYDERWAYYWYMY-UHFFFAOYSA-N 1 0 489.602 0.384 20 0 JCADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000591753295 1070693527 /nfs/dbraw/zinc/69/35/27/1070693527.db2.gz QPIPSCFHZDNIMI-UHFFFAOYSA-N 1 0 464.534 0.418 20 0 JCADRO NC(=O)c1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)ccc1Cl ZINC000591753314 1070693658 /nfs/dbraw/zinc/69/36/58/1070693658.db2.gz RRJKQDMSVXPLFY-UHFFFAOYSA-N 1 0 459.938 0.886 20 0 JCADRO C[N@H+](CCN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1)Cc1ccccc1 ZINC000591759726 1070688534 /nfs/dbraw/zinc/68/85/34/1070688534.db2.gz CMKAPNVQCCNNQJ-UHFFFAOYSA-N 1 0 459.572 0.700 20 0 JCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c2ccccc2O1 ZINC000591759868 1070688114 /nfs/dbraw/zinc/68/81/14/1070688114.db2.gz GVPXZPZYNJRPEV-HSZRJFAPSA-N 1 0 479.581 0.803 20 0 JCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c2ccccc2O1 ZINC000591759869 1070688438 /nfs/dbraw/zinc/68/84/38/1070688438.db2.gz GVPXZPZYNJRPEV-QHCPKHFHSA-N 1 0 479.581 0.803 20 0 JCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000591759966 1070688503 /nfs/dbraw/zinc/68/85/03/1070688503.db2.gz LJOCXEVUZHVSBS-UHFFFAOYSA-N 1 0 473.599 0.809 20 0 JCADRO C[N@H+](CCN1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1)Cc1ccccc1 ZINC000591760502 1070689166 /nfs/dbraw/zinc/68/91/66/1070689166.db2.gz USSUCIKJQVYDCT-UHFFFAOYSA-N 1 0 479.585 0.233 20 0 JCADRO C[N@H+](CCN1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1)Cc1ccccc1 ZINC000591761638 1070688977 /nfs/dbraw/zinc/68/89/77/1070688977.db2.gz BWIZEIYFHXTEMF-UHFFFAOYSA-N 1 0 453.543 0.765 20 0 JCADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 ZINC000591766236 1070696445 /nfs/dbraw/zinc/69/64/45/1070696445.db2.gz OPRZHMZGRXDPHD-UHFFFAOYSA-N 1 0 454.531 0.256 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1 ZINC000591850861 1070699475 /nfs/dbraw/zinc/69/94/75/1070699475.db2.gz CRSVKEGDMPYDHA-UHFFFAOYSA-N 1 0 489.554 0.398 20 0 JCADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000591850864 1070699358 /nfs/dbraw/zinc/69/93/58/1070699358.db2.gz CUVKFMOQRPIVGH-INIZCTEOSA-N 1 0 491.570 0.691 20 0 JCADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000591850865 1070699297 /nfs/dbraw/zinc/69/92/97/1070699297.db2.gz CUVKFMOQRPIVGH-MRXNPFEDSA-N 1 0 491.570 0.691 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)c1 ZINC000591850883 1070699444 /nfs/dbraw/zinc/69/94/44/1070699444.db2.gz GFQQNSXINZDYRM-UHFFFAOYSA-N 1 0 467.526 0.779 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)c1 ZINC000591850895 1070699241 /nfs/dbraw/zinc/69/92/41/1070699241.db2.gz IFTHLEONNRDJJZ-UHFFFAOYSA-N 1 0 459.528 0.917 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)CC2)c1 ZINC000591851119 1070698889 /nfs/dbraw/zinc/69/88/89/1070698889.db2.gz UOXACEUZUCLSRO-UHFFFAOYSA-N 1 0 466.542 0.765 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cc(C(=O)N4CCN(C)CC4)ccc3OC)CC2)c1 ZINC000591851201 1070698643 /nfs/dbraw/zinc/69/86/43/1070698643.db2.gz HKVUHXKYRQJZBL-UHFFFAOYSA-N 1 0 496.568 0.774 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)CC2)c1 ZINC000591851221 1070698734 /nfs/dbraw/zinc/69/87/34/1070698734.db2.gz JWARDRYYUGWWPS-UHFFFAOYSA-N 1 0 466.542 0.765 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(N4CCN(C(=O)C5CC5)CC4)nc3)CC2)c1 ZINC000591851225 1070698780 /nfs/dbraw/zinc/69/87/80/1070698780.db2.gz KASANWQAPMLEBO-UHFFFAOYSA-N 1 0 493.568 0.831 20 0 JCADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)CC2)c1 ZINC000591851226 1070698879 /nfs/dbraw/zinc/69/88/79/1070698879.db2.gz KFMFZOPSLOYOGH-UHFFFAOYSA-N 1 0 452.471 0.776 20 0 JCADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000591851578 1070700179 /nfs/dbraw/zinc/70/01/79/1070700179.db2.gz VEVMNYQXLCWVLA-UHFFFAOYSA-N 1 0 460.556 0.806 20 0 JCADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000591851962 1070699329 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C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000616192460 1069010669 /nfs/dbraw/zinc/01/06/69/1069010669.db2.gz CAZBJOQWBPCMGJ-IBGZPJMESA-N 1 0 473.555 0.165 20 0 JCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000616192461 1069010522 /nfs/dbraw/zinc/01/05/22/1069010522.db2.gz CAZBJOQWBPCMGJ-LJQANCHMSA-N 1 0 473.555 0.165 20 0 JCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[NH+]2CCCC2)cc1 ZINC000616198742 1069013282 /nfs/dbraw/zinc/01/32/82/1069013282.db2.gz FSLPOGBGBTUILA-FQEVSTJZSA-N 1 0 466.542 0.918 20 0 JCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[NH+]2CCCC2)cc1 ZINC000616198744 1069013189 /nfs/dbraw/zinc/01/31/89/1069013189.db2.gz FSLPOGBGBTUILA-HXUWFJFHSA-N 1 0 466.542 0.918 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cnc2n(C)c1=O ZINC000616199219 1069013221 /nfs/dbraw/zinc/01/32/21/1069013221.db2.gz RBNCWHFINSKFSI-UHFFFAOYSA-N 1 0 456.547 0.876 20 0 JCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+]2CCCC2)cc1 ZINC000616199354 1069458829 /nfs/dbraw/zinc/45/88/29/1069458829.db2.gz YQRHEGIGZVZAJT-IBGZPJMESA-N 1 0 480.525 0.533 20 0 JCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+]2CCCC2)cc1 ZINC000616199355 1069458793 /nfs/dbraw/zinc/45/87/93/1069458793.db2.gz YQRHEGIGZVZAJT-LJQANCHMSA-N 1 0 480.525 0.533 20 0 JCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCCC1 ZINC000616199367 1069013414 /nfs/dbraw/zinc/01/34/14/1069013414.db2.gz ZYMQDGYCYQHIOR-UHFFFAOYSA-N 1 0 465.576 0.126 20 0 JCADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccs1 ZINC000616205412 1069011948 /nfs/dbraw/zinc/01/19/48/1069011948.db2.gz GFXZEDFSTGPHDY-INIZCTEOSA-N 1 0 479.584 0.226 20 0 JCADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccs1 ZINC000616205415 1069012050 /nfs/dbraw/zinc/01/20/50/1069012050.db2.gz GFXZEDFSTGPHDY-MRXNPFEDSA-N 1 0 479.584 0.226 20 0 JCADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 ZINC000616205784 1069012076 /nfs/dbraw/zinc/01/20/76/1069012076.db2.gz PMCBOGLNSKMGQZ-UHFFFAOYSA-N 1 0 456.540 0.776 20 0 JCADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[NH+](C)C)cc1OC ZINC000616205800 1069011981 /nfs/dbraw/zinc/01/19/81/1069011981.db2.gz QRJSTKKOCXSDHL-HNNXBMFYSA-N 1 0 450.517 0.860 20 0 JCADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[NH+](C)C)cc1OC ZINC000616205801 1069011794 /nfs/dbraw/zinc/01/17/94/1069011794.db2.gz QRJSTKKOCXSDHL-OAHLLOKOSA-N 1 0 450.517 0.860 20 0 JCADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000616209489 1069012735 /nfs/dbraw/zinc/01/27/35/1069012735.db2.gz ZZWXIXCXQRDMLB-UHFFFAOYSA-N 1 0 456.540 0.774 20 0 JCADRO CC(C)(CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCCCC1 ZINC000616212686 1069012315 /nfs/dbraw/zinc/01/23/15/1069012315.db2.gz XVGVNOIDQHQRKI-UHFFFAOYSA-N 1 0 465.576 0.126 20 0 JCADRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+]1CCCC1 ZINC000616217088 1069012365 /nfs/dbraw/zinc/01/23/65/1069012365.db2.gz GNQJXERLCUFRFT-IBGZPJMESA-N 1 0 466.542 0.918 20 0 JCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+]1CCCC1 ZINC000616217089 1069012691 /nfs/dbraw/zinc/01/26/91/1069012691.db2.gz GNQJXERLCUFRFT-LJQANCHMSA-N 1 0 466.542 0.918 20 0 JCADRO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCC1 ZINC000616217766 1067917919 /nfs/dbraw/zinc/91/79/19/1067917919.db2.gz WCIQAFQKZAZQBY-GOSISDBHSA-N 1 0 480.525 0.533 20 0 JCADRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCCC1 ZINC000616217767 1069012435 /nfs/dbraw/zinc/01/24/35/1069012435.db2.gz WCIQAFQKZAZQBY-SFHVURJKSA-N 1 0 480.525 0.533 20 0 JCADRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000616221391 1069012752 /nfs/dbraw/zinc/01/27/52/1069012752.db2.gz FLYKSYIQSMRYQU-GOSISDBHSA-N 1 0 452.515 0.552 20 0 JCADRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000616221394 1069012601 /nfs/dbraw/zinc/01/26/01/1069012601.db2.gz FLYKSYIQSMRYQU-SFHVURJKSA-N 1 0 452.515 0.552 20 0 JCADRO CN1CC(=O)N(c2cccc(NC(=O)C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2)C1=O ZINC000616222958 1069012469 /nfs/dbraw/zinc/01/24/69/1069012469.db2.gz CEAUBANSKVOPDF-UHFFFAOYSA-N 1 0 478.553 0.958 20 0 JCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000616223165 1069012565 /nfs/dbraw/zinc/01/25/65/1069012565.db2.gz HWFVYXDNWPORRY-GOSISDBHSA-N 1 0 452.515 0.770 20 0 JCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000616223166 1069012826 /nfs/dbraw/zinc/01/28/26/1069012826.db2.gz HWFVYXDNWPORRY-SFHVURJKSA-N 1 0 452.515 0.770 20 0 JCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000616223878 1069012806 /nfs/dbraw/zinc/01/28/06/1069012806.db2.gz ZIRWEUKXZYWCEI-JOCHJYFZSA-N 1 0 465.554 0.461 20 0 JCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000616223879 1068012151 /nfs/dbraw/zinc/01/21/51/1068012151.db2.gz ZIRWEUKXZYWCEI-QFIPXVFZSA-N 1 0 465.554 0.461 20 0 JCADRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616223888 1069012720 /nfs/dbraw/zinc/01/27/20/1069012720.db2.gz ZSQRLIVGYHJVJS-UHFFFAOYSA-N 1 0 465.576 0.128 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cnc2n(C)c1=O ZINC000616224593 1069013106 /nfs/dbraw/zinc/01/31/06/1069013106.db2.gz GIRHNYQMDXTKHM-GOSISDBHSA-N 1 0 450.499 0.524 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cnc2n(C)c1=O ZINC000616224594 1069013355 /nfs/dbraw/zinc/01/33/55/1069013355.db2.gz GIRHNYQMDXTKHM-SFHVURJKSA-N 1 0 450.499 0.524 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cnc2n(C)c1=O ZINC000616224876 1069012521 /nfs/dbraw/zinc/01/25/21/1069012521.db2.gz RFFIICWCFYHEAT-HNNXBMFYSA-N 1 0 456.528 0.586 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cnc2n(C)c1=O ZINC000616224877 1069012794 /nfs/dbraw/zinc/01/27/94/1069012794.db2.gz RFFIICWCFYHEAT-OAHLLOKOSA-N 1 0 456.528 0.586 20 0 JCADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000616225939 1069013380 /nfs/dbraw/zinc/01/33/80/1069013380.db2.gz IKMZTFGEXBOROS-IBGZPJMESA-N 1 0 485.566 0.136 20 0 JCADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000616225946 1069013058 /nfs/dbraw/zinc/01/30/58/1069013058.db2.gz IKMZTFGEXBOROS-LJQANCHMSA-N 1 0 485.566 0.136 20 0 JCADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000616246487 1069014526 /nfs/dbraw/zinc/01/45/26/1069014526.db2.gz NPBNVDBIQWGWGT-UHFFFAOYSA-N 1 0 490.582 0.903 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1 ZINC000616247240 1069014364 /nfs/dbraw/zinc/01/43/64/1069014364.db2.gz DWSOIIQYEFHJJX-INIZCTEOSA-N 1 0 456.540 0.777 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1 ZINC000616247243 1069014546 /nfs/dbraw/zinc/01/45/46/1069014546.db2.gz DWSOIIQYEFHJJX-MRXNPFEDSA-N 1 0 456.540 0.777 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)C1 ZINC000616247357 1069014634 /nfs/dbraw/zinc/01/46/34/1069014634.db2.gz IWAPCNGFBANBKZ-APWZRJJASA-N 1 0 457.535 0.889 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C1 ZINC000616247358 1069014684 /nfs/dbraw/zinc/01/46/84/1069014684.db2.gz IWAPCNGFBANBKZ-LPHOPBHVSA-N 1 0 457.535 0.889 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C1 ZINC000616247359 1069014411 /nfs/dbraw/zinc/01/44/11/1069014411.db2.gz IWAPCNGFBANBKZ-QFBILLFUSA-N 1 0 457.535 0.889 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)C1 ZINC000616247360 1069014455 /nfs/dbraw/zinc/01/44/55/1069014455.db2.gz IWAPCNGFBANBKZ-VQIMIIECSA-N 1 0 457.535 0.889 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000616248077 1069014783 /nfs/dbraw/zinc/01/47/83/1069014783.db2.gz ZXKKAEBQFAFUCG-GHTZIAJQSA-N 1 0 474.558 0.112 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000616248078 1069014816 /nfs/dbraw/zinc/01/48/16/1069014816.db2.gz ZXKKAEBQFAFUCG-NQIIRXRSSA-N 1 0 474.558 0.112 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000616248079 1069014740 /nfs/dbraw/zinc/01/47/40/1069014740.db2.gz ZXKKAEBQFAFUCG-RXVVDRJESA-N 1 0 474.558 0.112 20 0 JCADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000616248080 1069014907 /nfs/dbraw/zinc/01/49/07/1069014907.db2.gz ZXKKAEBQFAFUCG-WIYYLYMNSA-N 1 0 474.558 0.112 20 0 JCADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616251800 1069015378 /nfs/dbraw/zinc/01/53/78/1069015378.db2.gz IMRYJGUKGSTMPG-INIZCTEOSA-N 1 0 465.576 0.126 20 0 JCADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616251801 1068013643 /nfs/dbraw/zinc/01/36/43/1068013643.db2.gz IMRYJGUKGSTMPG-MRXNPFEDSA-N 1 0 465.576 0.126 20 0 JCADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000616258320 1069013817 /nfs/dbraw/zinc/01/38/17/1069013817.db2.gz MVVBSQUKFVQDCY-UHFFFAOYSA-N 1 0 473.555 0.124 20 0 JCADRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)Cc1ccccc1 ZINC000616266640 1069017276 /nfs/dbraw/zinc/01/72/76/1069017276.db2.gz LNAIBUWRXRGVIV-UHFFFAOYSA-N 1 0 487.582 0.384 20 0 JCADRO CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000616266925 1069017306 /nfs/dbraw/zinc/01/73/06/1069017306.db2.gz XZDZETGFOYDFJT-NRFANRHFSA-N 1 0 458.559 0.878 20 0 JCADRO CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000616266926 1069017126 /nfs/dbraw/zinc/01/71/26/1069017126.db2.gz XZDZETGFOYDFJT-OAQYLSRUSA-N 1 0 458.559 0.878 20 0 JCADRO 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C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2)C[C@@H](C)O1 ZINC000616335365 1069022592 /nfs/dbraw/zinc/02/25/92/1069022592.db2.gz IBUYAYFETFNDLK-HZPDHXFCSA-N 1 0 494.552 0.496 20 0 JCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2)C[C@H](C)O1 ZINC000616335366 1069022660 /nfs/dbraw/zinc/02/26/60/1069022660.db2.gz IBUYAYFETFNDLK-IYBDPMFKSA-N 1 0 494.552 0.496 20 0 JCADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000616337215 1069022707 /nfs/dbraw/zinc/02/27/07/1069022707.db2.gz IEOHOFNDZCRLRS-UHFFFAOYSA-N 1 0 452.515 0.727 20 0 JCADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2)CC1 ZINC000616342536 1069023727 /nfs/dbraw/zinc/02/37/27/1069023727.db2.gz BSDPNWINSJWHTD-UHFFFAOYSA-N 1 0 493.612 0.405 20 0 JCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2O1 ZINC000616342597 1069023274 /nfs/dbraw/zinc/02/32/74/1069023274.db2.gz DZABRMKCJOEOEI-NRFANRHFSA-N 1 0 480.569 0.770 20 0 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Cn1c(=O)c2cc(NC(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cnc2n(C)c1=O ZINC000616351324 1069024530 /nfs/dbraw/zinc/02/45/30/1069024530.db2.gz IZXRFIAQTITSIT-UHFFFAOYSA-N 1 0 450.499 0.483 20 0 JCADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616351473 1069027282 /nfs/dbraw/zinc/02/72/82/1069027282.db2.gz RCGHOFHKPLXPFU-UHFFFAOYSA-N 1 0 499.593 0.658 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)cc2)CC1 ZINC000616357200 1069025164 /nfs/dbraw/zinc/02/51/64/1069025164.db2.gz FHWUDEWMZZTQBH-UHFFFAOYSA-N 1 0 459.572 0.878 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2)CC1 ZINC000616357215 1069025196 /nfs/dbraw/zinc/02/51/96/1069025196.db2.gz HIENDFSLTXHTOY-UHFFFAOYSA-N 1 0 493.568 0.025 20 0 JCADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000616357216 1069025067 /nfs/dbraw/zinc/02/50/67/1069025067.db2.gz HIUSLPZCGKSGAA-UHFFFAOYSA-N 1 0 482.541 0.608 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3C[C@H](C(=O)NC)Oc4ccccc43)cc2)CC1 ZINC000616357246 1069025246 /nfs/dbraw/zinc/02/52/46/1069025246.db2.gz KLARTBHSSFJPIJ-HSZRJFAPSA-N 1 0 479.581 0.981 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3C[C@@H](C(=O)NC)Oc4ccccc43)cc2)CC1 ZINC000616357247 1069025222 /nfs/dbraw/zinc/02/52/22/1069025222.db2.gz KLARTBHSSFJPIJ-QHCPKHFHSA-N 1 0 479.581 0.981 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H](C(=O)NC)Oc4ccccc43)cn2)CC1 ZINC000616357257 1069025107 /nfs/dbraw/zinc/02/51/07/1069025107.db2.gz LMQXIGGBXQBJCM-FQEVSTJZSA-N 1 0 466.542 0.380 20 0 JCADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H](C(=O)NC)Oc4ccccc43)cn2)CC1 ZINC000616357258 1069024820 /nfs/dbraw/zinc/02/48/20/1069024820.db2.gz LMQXIGGBXQBJCM-HXUWFJFHSA-N 1 0 466.542 0.380 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)CC1 ZINC000616357284 1069024995 /nfs/dbraw/zinc/02/49/95/1069024995.db2.gz OZOCJKSRGRFTSK-HSZRJFAPSA-N 1 0 479.581 0.981 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)CC1 ZINC000616357285 1067643973 /nfs/dbraw/zinc/64/39/73/1067643973.db2.gz OZOCJKSRGRFTSK-QHCPKHFHSA-N 1 0 479.581 0.981 20 0 JCADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)CC1 ZINC000616357304 1069024945 /nfs/dbraw/zinc/02/49/45/1069024945.db2.gz PZDCNONDGXSDID-UHFFFAOYSA-N 1 0 479.585 0.410 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000616357346 1067644099 /nfs/dbraw/zinc/64/40/99/1067644099.db2.gz UEIXSJAIGBGWQE-UHFFFAOYSA-N 1 0 493.568 0.025 20 0 JCADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000616357355 1067643965 /nfs/dbraw/zinc/64/39/65/1067643965.db2.gz UNQSKPRVKBPBKU-UHFFFAOYSA-N 1 0 482.541 0.608 20 0 JCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccsc1 ZINC000616364008 1069025510 /nfs/dbraw/zinc/02/55/10/1069025510.db2.gz WZZATWWKOXDANE-INIZCTEOSA-N 1 0 458.544 0.832 20 0 JCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccsc1 ZINC000616364009 1069025688 /nfs/dbraw/zinc/02/56/88/1069025688.db2.gz WZZATWWKOXDANE-MRXNPFEDSA-N 1 0 458.544 0.832 20 0 JCADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000616365423 1069026016 /nfs/dbraw/zinc/02/60/16/1069026016.db2.gz HZJAYMSVYNQJGF-GOSISDBHSA-N 1 0 466.542 0.640 20 0 JCADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000616365424 1069025742 /nfs/dbraw/zinc/02/57/42/1069025742.db2.gz HZJAYMSVYNQJGF-SFHVURJKSA-N 1 0 466.542 0.640 20 0 JCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CC1 ZINC000616366271 1067646009 /nfs/dbraw/zinc/64/60/09/1067646009.db2.gz CDSOQLRLOZMABA-GOSISDBHSA-N 1 0 492.596 0.567 20 0 JCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CC1 ZINC000616366275 1067645898 /nfs/dbraw/zinc/64/58/98/1067645898.db2.gz CDSOQLRLOZMABA-SFHVURJKSA-N 1 0 492.596 0.567 20 0 JCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)CC1 ZINC000616366337 1067645325 /nfs/dbraw/zinc/64/53/25/1067645325.db2.gz FTVVCKHJDLTCTJ-HNNXBMFYSA-N 1 0 453.971 0.797 20 0 JCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NCCOC)c(Cl)c2)CC1 ZINC000616366338 1067645229 /nfs/dbraw/zinc/64/52/29/1067645229.db2.gz FTVVCKHJDLTCTJ-OAHLLOKOSA-N 1 0 453.971 0.797 20 0 JCADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000616366366 1067645882 /nfs/dbraw/zinc/64/58/82/1067645882.db2.gz ISBGBYPEKOTLGG-HNNXBMFYSA-N 1 0 455.556 0.446 20 0 JCADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000616366367 1067645846 /nfs/dbraw/zinc/64/58/46/1067645846.db2.gz ISBGBYPEKOTLGG-OAHLLOKOSA-N 1 0 455.556 0.446 20 0 JCADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNC(=O)c3cccnc3)c2)CC1 ZINC000616366702 1069025994 /nfs/dbraw/zinc/02/59/94/1069025994.db2.gz UTOAAZOWBZKJBF-UHFFFAOYSA-N 1 0 452.515 0.264 20 0 JCADRO CC[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCc2ccccc2C1 ZINC000616367658 1069025443 /nfs/dbraw/zinc/02/54/43/1069025443.db2.gz CVVJKVFYQQAAJT-GOSISDBHSA-N 1 0 464.526 0.524 20 0 JCADRO CC[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1CCc2ccccc2C1 ZINC000616367661 1067645993 /nfs/dbraw/zinc/64/59/93/1067645993.db2.gz CVVJKVFYQQAAJT-SFHVURJKSA-N 1 0 464.526 0.524 20 0 JCADRO CC[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000616368140 1069025814 /nfs/dbraw/zinc/02/58/14/1069025814.db2.gz NDSVELJDEQZFDR-FQEVSTJZSA-N 1 0 450.543 0.909 20 0 JCADRO CC[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000616368141 1067646487 /nfs/dbraw/zinc/64/64/87/1067646487.db2.gz NDSVELJDEQZFDR-HXUWFJFHSA-N 1 0 450.543 0.909 20 0 JCADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000616372083 1069025760 /nfs/dbraw/zinc/02/57/60/1069025760.db2.gz JNPCMEOEFJSNJZ-DBXWQHBBSA-N 1 0 458.559 0.876 20 0 JCADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000616372084 1069025847 /nfs/dbraw/zinc/02/58/47/1069025847.db2.gz JNPCMEOEFJSNJZ-LQWHRVPQSA-N 1 0 458.559 0.876 20 0 JCADRO C[C@@H](CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000616372085 1069025552 /nfs/dbraw/zinc/02/55/52/1069025552.db2.gz JNPCMEOEFJSNJZ-LVCYWYKZSA-N 1 0 458.559 0.876 20 0 JCADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000616372087 1069025607 /nfs/dbraw/zinc/02/56/07/1069025607.db2.gz JNPCMEOEFJSNJZ-OPYAIIAOSA-N 1 0 458.559 0.876 20 0 JCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000616374626 1069026273 /nfs/dbraw/zinc/02/62/73/1069026273.db2.gz ICPLZSFDBBCCDQ-UHFFFAOYSA-N 1 0 455.556 0.448 20 0 JCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)CC1 ZINC000616374672 1067646973 /nfs/dbraw/zinc/64/69/73/1067646973.db2.gz LQEZVLKXSJANLA-UHFFFAOYSA-N 1 0 453.609 0.716 20 0 JCADRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CCCCC1 ZINC000616374690 1069026512 /nfs/dbraw/zinc/02/65/12/1069026512.db2.gz NRUGYZAUHQCFJI-UHFFFAOYSA-N 1 0 479.603 0.516 20 0 JCADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CC1 ZINC000616374761 1069026553 /nfs/dbraw/zinc/02/65/53/1069026553.db2.gz VOTFHTOZBTYWNC-UHFFFAOYSA-N 1 0 458.607 0.085 20 0 JCADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000616374777 1067646997 /nfs/dbraw/zinc/64/69/97/1067646997.db2.gz WRPYHPBPDOHEQI-UHFFFAOYSA-N 1 0 468.396 0.978 20 0 JCADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cnc2n(C)c1=O ZINC000616376019 1069026440 /nfs/dbraw/zinc/02/64/40/1069026440.db2.gz MMZVEMQDJGTOSI-UHFFFAOYSA-N 1 0 450.499 0.135 20 0 JCADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616376171 1067648124 /nfs/dbraw/zinc/64/81/24/1067648124.db2.gz RFDCTRJUUHZRNJ-UHFFFAOYSA-N 1 0 499.593 0.310 20 0 JCADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616378829 1069026595 /nfs/dbraw/zinc/02/65/95/1069026595.db2.gz VVNNUVMITNFCAA-NRFANRHFSA-N 1 0 499.593 0.699 20 0 JCADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616378830 1069026392 /nfs/dbraw/zinc/02/63/92/1069026392.db2.gz VVNNUVMITNFCAA-OAQYLSRUSA-N 1 0 499.593 0.699 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](c2ccccc2)C1 ZINC000616384401 1067650451 /nfs/dbraw/zinc/65/04/51/1067650451.db2.gz ISSYJYLXCGMFSC-FQEVSTJZSA-N 1 0 493.568 0.066 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](c2ccccc2)C1 ZINC000616384404 1069026641 /nfs/dbraw/zinc/02/66/41/1069026641.db2.gz ISSYJYLXCGMFSC-HXUWFJFHSA-N 1 0 493.568 0.066 20 0 JCADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000616384617 1067650366 /nfs/dbraw/zinc/65/03/66/1067650366.db2.gz MHOZWJVNZHQBLE-UHFFFAOYSA-N 1 0 459.572 0.748 20 0 JCADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000616384648 1069027005 /nfs/dbraw/zinc/02/70/05/1069027005.db2.gz ONANTBBNAATGIS-HSZRJFAPSA-N 1 0 479.581 0.851 20 0 JCADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000616384649 1069027077 /nfs/dbraw/zinc/02/70/77/1069027077.db2.gz ONANTBBNAATGIS-QHCPKHFHSA-N 1 0 479.581 0.851 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[C@H](c2ccccc2)C1 ZINC000616384732 1067650506 /nfs/dbraw/zinc/65/05/06/1067650506.db2.gz QUXAOARJACVGLU-NRFANRHFSA-N 1 0 479.585 0.451 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)[C@@H](c2ccccc2)C1 ZINC000616384736 1067650294 /nfs/dbraw/zinc/65/02/94/1067650294.db2.gz QUXAOARJACVGLU-OAQYLSRUSA-N 1 0 479.585 0.451 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](c2ccccc2)C1 ZINC000616384754 1069027108 /nfs/dbraw/zinc/02/71/08/1069027108.db2.gz RGPOCDRZQGASKD-IBGZPJMESA-N 1 0 459.572 0.919 20 0 JCADRO CN1CC[N@H+](CCCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H](c2ccccc2)C1 ZINC000616384760 1069027224 /nfs/dbraw/zinc/02/72/24/1069027224.db2.gz RGPOCDRZQGASKD-LJQANCHMSA-N 1 0 459.572 0.919 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000616390174 1067652201 /nfs/dbraw/zinc/65/22/01/1067652201.db2.gz MYDHGOJRAZWQQW-UHFFFAOYSA-N 1 0 466.604 0.835 20 0 JCADRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000616390349 1067652170 /nfs/dbraw/zinc/65/21/70/1067652170.db2.gz ZCLKZFBIIZOXJM-UHFFFAOYSA-N 1 0 479.603 0.374 20 0 JCADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)c2ccccc2O1 ZINC000616392064 1067652533 /nfs/dbraw/zinc/65/25/33/1067652533.db2.gz UQAOPTINCUDBCR-NRFANRHFSA-N 1 0 459.591 0.841 20 0 JCADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)c2ccccc2O1 ZINC000616392065 1069028929 /nfs/dbraw/zinc/02/89/29/1069028929.db2.gz UQAOPTINCUDBCR-OAQYLSRUSA-N 1 0 459.591 0.841 20 0 JCADRO NC(=O)C1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000616392869 1069029199 /nfs/dbraw/zinc/02/91/99/1069029199.db2.gz RGAGFDMKFTZMMU-JOCHJYFZSA-N 1 0 499.612 0.887 20 0 JCADRO NC(=O)C1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 ZINC000616392870 1069029215 /nfs/dbraw/zinc/02/92/15/1069029215.db2.gz RGAGFDMKFTZMMU-QFIPXVFZSA-N 1 0 499.612 0.887 20 0 JCADRO NC(=O)Cn1cc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000616398069 1069029547 /nfs/dbraw/zinc/02/95/47/1069029547.db2.gz LHHPVIXTPDJQHB-UHFFFAOYSA-N 1 0 475.553 0.946 20 0 JCADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 ZINC000616399135 1069029750 /nfs/dbraw/zinc/02/97/50/1069029750.db2.gz PRUYPGLPZRGYPU-UHFFFAOYSA-N 1 0 493.612 0.983 20 0 JCADRO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000616409545 1069026934 /nfs/dbraw/zinc/02/69/34/1069026934.db2.gz MZNLZZVCSLCOGR-CVEARBPZSA-N 1 0 454.524 0.528 20 0 JCADRO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000616409546 1069026879 /nfs/dbraw/zinc/02/68/79/1069026879.db2.gz MZNLZZVCSLCOGR-HOTGVXAUSA-N 1 0 454.524 0.528 20 0 JCADRO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000616409547 1069027757 /nfs/dbraw/zinc/02/77/57/1069027757.db2.gz MZNLZZVCSLCOGR-HZPDHXFCSA-N 1 0 454.524 0.528 20 0 JCADRO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000616409548 1069027789 /nfs/dbraw/zinc/02/77/89/1069027789.db2.gz MZNLZZVCSLCOGR-JKSUJKDBSA-N 1 0 454.524 0.528 20 0 JCADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000616415328 1069028101 /nfs/dbraw/zinc/02/81/01/1069028101.db2.gz GXOBIIFQGCIDIM-UHFFFAOYSA-N 1 0 466.604 0.835 20 0 JCADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000616415449 1069028144 /nfs/dbraw/zinc/02/81/44/1069028144.db2.gz KZXNTMONZRUNKB-UHFFFAOYSA-N 1 0 467.592 0.110 20 0 JCADRO 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CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(OC)c1 ZINC000642084678 1070556166 /nfs/dbraw/zinc/55/61/66/1070556166.db2.gz YXOQOSKMDDRVEB-OAQYLSRUSA-N 1 0 483.635 0.982 20 0 JCADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@H](C)O1 ZINC000642086734 1070556490 /nfs/dbraw/zinc/55/64/90/1070556490.db2.gz RWZNQCZDLLZNCE-HDICACEKSA-N 1 0 482.603 0.973 20 0 JCADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@@H](C)O1 ZINC000642086735 1070556258 /nfs/dbraw/zinc/55/62/58/1070556258.db2.gz RWZNQCZDLLZNCE-QZTJIDSGSA-N 1 0 482.603 0.973 20 0 JCADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@H](C)O1 ZINC000642086736 1070556208 /nfs/dbraw/zinc/55/62/08/1070556208.db2.gz RWZNQCZDLLZNCE-ROUUACIJSA-N 1 0 482.603 0.973 20 0 JCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(S(=O)(=O)N(C)C)CC3)CC2)cc1 ZINC000642097143 1070558376 /nfs/dbraw/zinc/55/83/76/1070558376.db2.gz LPFYXUYZQSOLHJ-UHFFFAOYSA-N 1 0 453.609 0.154 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000642120001 1070562608 /nfs/dbraw/zinc/56/26/08/1070562608.db2.gz NMYRTVFXHOYZDR-GOSISDBHSA-N 1 0 454.593 0.592 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000642120002 1070562561 /nfs/dbraw/zinc/56/25/61/1070562561.db2.gz NMYRTVFXHOYZDR-SFHVURJKSA-N 1 0 454.593 0.592 20 0 JCADRO CCN1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)CC1=O ZINC000642126561 1070563047 /nfs/dbraw/zinc/56/30/47/1070563047.db2.gz DSAASUQRQOIQKT-GOSISDBHSA-N 1 0 493.630 0.656 20 0 JCADRO CCN1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)CC1=O ZINC000642126562 1070563093 /nfs/dbraw/zinc/56/30/93/1070563093.db2.gz DSAASUQRQOIQKT-SFHVURJKSA-N 1 0 493.630 0.656 20 0 JCADRO CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000642152775 1070564283 /nfs/dbraw/zinc/56/42/83/1070564283.db2.gz PWMPQPUOIJABIN-APWZRJJASA-N 1 0 454.593 0.528 20 0 JCADRO CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000642152777 1070564361 /nfs/dbraw/zinc/56/43/61/1070564361.db2.gz PWMPQPUOIJABIN-LPHOPBHVSA-N 1 0 454.593 0.528 20 0 JCADRO CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000642152778 1070564215 /nfs/dbraw/zinc/56/42/15/1070564215.db2.gz PWMPQPUOIJABIN-QFBILLFUSA-N 1 0 454.593 0.528 20 0 JCADRO CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000642152779 1070564193 /nfs/dbraw/zinc/56/41/93/1070564193.db2.gz PWMPQPUOIJABIN-VQIMIIECSA-N 1 0 454.593 0.528 20 0 JCADRO CCn1c(CCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000642177964 1070567326 /nfs/dbraw/zinc/56/73/26/1070567326.db2.gz GQNFKEOPFOIARB-UHFFFAOYSA-N 1 0 478.619 0.472 20 0 JCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000642202815 1070571652 /nfs/dbraw/zinc/57/16/52/1070571652.db2.gz DRCDZXXVFLXXAG-HDICACEKSA-N 1 0 466.604 0.769 20 0 JCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000642202816 1070571597 /nfs/dbraw/zinc/57/15/97/1070571597.db2.gz DRCDZXXVFLXXAG-QZTJIDSGSA-N 1 0 466.604 0.769 20 0 JCADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000642202817 1070571911 /nfs/dbraw/zinc/57/19/11/1070571911.db2.gz DRCDZXXVFLXXAG-ROUUACIJSA-N 1 0 466.604 0.769 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000642203026 1070571790 /nfs/dbraw/zinc/57/17/90/1070571790.db2.gz INRAWSHNBFUSAU-CALCHBBNSA-N 1 0 455.577 0.945 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000642203032 1070571835 /nfs/dbraw/zinc/57/18/35/1070571835.db2.gz INRAWSHNBFUSAU-IAGOWNOFSA-N 1 0 455.577 0.945 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000642203035 1070571968 /nfs/dbraw/zinc/57/19/68/1070571968.db2.gz INRAWSHNBFUSAU-IRXDYDNUSA-N 1 0 455.577 0.945 20 0 JCADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000642203139 1070571753 /nfs/dbraw/zinc/57/17/53/1070571753.db2.gz QLEBJKKGKBBLGQ-BGYRXZFFSA-N 1 0 480.631 0.915 20 0 JCADRO C[C@H]1C[NH+](CCCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000642203140 1070571694 /nfs/dbraw/zinc/57/16/94/1070571694.db2.gz QLEBJKKGKBBLGQ-PMACEKPBSA-N 1 0 480.631 0.915 20 0 JCADRO C[C@@H]1C[NH+](CCCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000642203141 1070571864 /nfs/dbraw/zinc/57/18/64/1070571864.db2.gz QLEBJKKGKBBLGQ-WOJBJXKFSA-N 1 0 480.631 0.915 20 0 JCADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000642207124 1070572331 /nfs/dbraw/zinc/57/23/31/1070572331.db2.gz YOEDMDCWZWJDBX-CALCHBBNSA-N 1 0 485.603 0.954 20 0 JCADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1OC ZINC000642207127 1067783584 /nfs/dbraw/zinc/78/35/84/1067783584.db2.gz YOEDMDCWZWJDBX-IAGOWNOFSA-N 1 0 485.603 0.954 20 0 JCADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000642207129 1070572297 /nfs/dbraw/zinc/57/22/97/1070572297.db2.gz YOEDMDCWZWJDBX-IRXDYDNUSA-N 1 0 485.603 0.954 20 0 JCADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)cc1 ZINC000642216303 1070573083 /nfs/dbraw/zinc/57/30/83/1070573083.db2.gz YAJYWNIYTRRVOR-UHFFFAOYSA-N 1 0 474.539 0.985 20 0 JCADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000642219138 1070573697 /nfs/dbraw/zinc/57/36/97/1070573697.db2.gz BQDCCTSPRQDPAY-UHFFFAOYSA-N 1 0 486.554 0.915 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c2c1 ZINC000642219145 1070573396 /nfs/dbraw/zinc/57/33/96/1070573396.db2.gz CBUIOEWSAFQGJR-UHFFFAOYSA-N 1 0 477.587 0.817 20 0 JCADRO CCCCn1c2nc(CCC(=O)N3CCN(C(=O)C[NH+](C)C)CC3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000642219167 1070573659 /nfs/dbraw/zinc/57/36/59/1070573659.db2.gz FEYHQLDEPRRGGT-UHFFFAOYSA-N 1 0 489.621 0.920 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2=O)cc1 ZINC000642219231 1070573636 /nfs/dbraw/zinc/57/36/36/1070573636.db2.gz OLHRVOLJWANEKV-GOSISDBHSA-N 1 0 493.630 0.302 20 0 JCADRO CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2=O)cc1 ZINC000642219232 1070573544 /nfs/dbraw/zinc/57/35/44/1070573544.db2.gz OLHRVOLJWANEKV-SFHVURJKSA-N 1 0 493.630 0.302 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2)c(C)c1 ZINC000642219254 1070573612 /nfs/dbraw/zinc/57/36/12/1070573612.db2.gz RQPXJUOEMBOUFW-UHFFFAOYSA-N 1 0 450.605 0.937 20 0 JCADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000642219302 1067787148 /nfs/dbraw/zinc/78/71/48/1067787148.db2.gz ZXKCTHWGEXTGKB-UHFFFAOYSA-N 1 0 480.587 0.091 20 0 JCADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)C[C@H](C)O1 ZINC000642231436 1070574108 /nfs/dbraw/zinc/57/41/08/1070574108.db2.gz RYYORCLBKHTFJS-HOTGVXAUSA-N 1 0 454.531 0.359 20 0 JCADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)C[C@@H](C)O1 ZINC000642231437 1070574170 /nfs/dbraw/zinc/57/41/70/1070574170.db2.gz RYYORCLBKHTFJS-HZPDHXFCSA-N 1 0 454.531 0.359 20 0 JCADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)C[C@H](C)O1 ZINC000642231438 1070574936 /nfs/dbraw/zinc/57/49/36/1070574936.db2.gz RYYORCLBKHTFJS-IYBDPMFKSA-N 1 0 454.531 0.359 20 0 JCADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000642243597 1070574820 /nfs/dbraw/zinc/57/48/20/1070574820.db2.gz HGJFLKGMQFVFNB-GOSISDBHSA-N 1 0 450.561 0.134 20 0 JCADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000642243598 1070574720 /nfs/dbraw/zinc/57/47/20/1070574720.db2.gz HGJFLKGMQFVFNB-SFHVURJKSA-N 1 0 450.561 0.134 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000642285038 1070577848 /nfs/dbraw/zinc/57/78/48/1070577848.db2.gz CZQCIHQOTOBBIQ-UHFFFAOYSA-N 1 0 450.543 0.700 20 0 JCADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000642285276 1067845724 /nfs/dbraw/zinc/84/57/24/1067845724.db2.gz NWFBNSQTIDBSQP-UHFFFAOYSA-N 1 0 499.637 0.875 20 0 JCADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000642325008 1070580637 /nfs/dbraw/zinc/58/06/37/1070580637.db2.gz MJNOFFTUESJNDE-UHFFFAOYSA-N 1 0 465.620 0.297 20 0 JCADRO CN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000642344726 1070581335 /nfs/dbraw/zinc/58/13/35/1070581335.db2.gz SUFCMBOVYKEGRM-UHFFFAOYSA-N 1 0 481.619 0.501 20 0 JCADRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)c1 ZINC000642354962 1070582189 /nfs/dbraw/zinc/58/21/89/1070582189.db2.gz BVYCBTPCHHLHLS-IBGZPJMESA-N 1 0 450.605 0.997 20 0 JCADRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)c1 ZINC000642354963 1070582223 /nfs/dbraw/zinc/58/22/23/1070582223.db2.gz BVYCBTPCHHLHLS-LJQANCHMSA-N 1 0 450.605 0.997 20 0 JCADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000642354993 1070582025 /nfs/dbraw/zinc/58/20/25/1070582025.db2.gz JICQSSUPBNZUCS-UHFFFAOYSA-N 1 0 450.337 0.782 20 0 JCADRO C[NH+]1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 ZINC000642394984 1070587056 /nfs/dbraw/zinc/58/70/56/1070587056.db2.gz AGMPFEPFYTUJSX-UHFFFAOYSA-N 1 0 467.592 0.760 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000642412400 1070587622 /nfs/dbraw/zinc/58/76/22/1070587622.db2.gz PZHRKCLZFZMGMV-UHFFFAOYSA-N 1 0 469.608 0.864 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NC[C@H](C)O)CC1 ZINC000642426694 1070588751 /nfs/dbraw/zinc/58/87/51/1070588751.db2.gz DAFIRXQGMSJHAV-INIZCTEOSA-N 1 0 455.581 0.352 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NC[C@@H](C)O)CC1 ZINC000642426695 1070589276 /nfs/dbraw/zinc/58/92/76/1070589276.db2.gz DAFIRXQGMSJHAV-MRXNPFEDSA-N 1 0 455.581 0.352 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NCCCO)CC1 ZINC000642426727 1070589403 /nfs/dbraw/zinc/58/94/03/1070589403.db2.gz HPESMRDTBKMNKN-UHFFFAOYSA-N 1 0 455.581 0.353 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NCCn2ccnc2)CC1 ZINC000642426739 1070588951 /nfs/dbraw/zinc/58/89/51/1070588951.db2.gz JDUKYLRNKCXTSM-UHFFFAOYSA-N 1 0 491.618 0.868 20 0 JCADRO CCCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](CC)CC1 ZINC000642426759 1070588526 /nfs/dbraw/zinc/58/85/26/1070588526.db2.gz LNZDKENENIAPPH-UHFFFAOYSA-N 1 0 496.634 0.497 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)NCC(=O)N(C)C)CC1 ZINC000642426774 1070588912 /nfs/dbraw/zinc/58/89/12/1070588912.db2.gz MTMPXAKWVGKMIB-UHFFFAOYSA-N 1 0 482.607 0.059 20 0 JCADRO CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](CC)CC1 ZINC000642426812 1070588933 /nfs/dbraw/zinc/58/89/33/1070588933.db2.gz QISWFOSPWCMBNE-KRWDZBQOSA-N 1 0 469.608 0.742 20 0 JCADRO CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](CC)CC1 ZINC000642426813 1070588885 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C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000728309973 1067757540 /nfs/dbraw/zinc/75/75/40/1067757540.db2.gz XKVHLEMHESRQCC-MRXNPFEDSA-N 1 0 464.592 0.086 20 0 JCADRO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728399167 1067787841 /nfs/dbraw/zinc/78/78/41/1067787841.db2.gz BORZBWFLZITGGC-UHFFFAOYSA-N 1 0 462.570 0.575 20 0 JCADRO CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728401699 1067788457 /nfs/dbraw/zinc/78/84/57/1067788457.db2.gz BWQUGUYETYTNEP-UHFFFAOYSA-N 1 0 462.570 0.621 20 0 JCADRO CN(CCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)S(C)(=O)=O ZINC000728402466 1067788885 /nfs/dbraw/zinc/78/88/85/1067788885.db2.gz QRRDHHXESAKQLH-UHFFFAOYSA-N 1 0 457.572 0.692 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2F)CC1 ZINC000728402681 1067788878 /nfs/dbraw/zinc/78/88/78/1067788878.db2.gz ZAQNWSNKEKEVFV-UHFFFAOYSA-N 1 0 488.564 0.244 20 0 JCADRO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728402864 1067788935 /nfs/dbraw/zinc/78/89/35/1067788935.db2.gz CNFMGVNJBIRIMY-UHFFFAOYSA-N 1 0 462.570 0.575 20 0 JCADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728402897 1067788966 /nfs/dbraw/zinc/78/89/66/1067788966.db2.gz DSGLWWOCUIBWES-UHFFFAOYSA-N 1 0 484.598 0.245 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2F)CC1 ZINC000728403028 1067789067 /nfs/dbraw/zinc/78/90/67/1067789067.db2.gz GCKXACHRZMIEJS-UHFFFAOYSA-N 1 0 469.583 0.789 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)cc2F)CC1 ZINC000728403045 1069700164 /nfs/dbraw/zinc/70/01/64/1069700164.db2.gz GVBPWHYCRRUOKP-UHFFFAOYSA-N 1 0 498.559 0.826 20 0 JCADRO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728403202 1067788852 /nfs/dbraw/zinc/78/88/52/1067788852.db2.gz NOZCBQFJGFRPBH-UHFFFAOYSA-N 1 0 462.570 0.575 20 0 JCADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728403272 1067789754 /nfs/dbraw/zinc/78/97/54/1067789754.db2.gz LHCBOIFQXCYPNJ-UHFFFAOYSA-N 1 0 476.597 0.963 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2F)CC1 ZINC000728403283 1067789837 /nfs/dbraw/zinc/78/98/37/1067789837.db2.gz LVYXJXPAYRJEED-UHFFFAOYSA-N 1 0 474.581 0.717 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2F)CC1 ZINC000728403419 1067789792 /nfs/dbraw/zinc/78/97/92/1067789792.db2.gz NISBNBSXFVWFTB-UHFFFAOYSA-N 1 0 455.556 0.398 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cc2F)CC1 ZINC000728403677 1067789825 /nfs/dbraw/zinc/78/98/25/1067789825.db2.gz CBGPXOKHDLRGTO-UHFFFAOYSA-N 1 0 485.582 0.073 20 0 JCADRO CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000728403704 1067789744 /nfs/dbraw/zinc/78/97/44/1067789744.db2.gz CFOZEMHMYSLACC-UHFFFAOYSA-N 1 0 457.572 0.740 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2F)CC1 ZINC000728403771 1067789954 /nfs/dbraw/zinc/78/99/54/1067789954.db2.gz ZGFOSEKBYJWDRG-INIZCTEOSA-N 1 0 469.583 0.835 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2F)CC1 ZINC000728403772 1067789850 /nfs/dbraw/zinc/78/98/50/1067789850.db2.gz ZGFOSEKBYJWDRG-MRXNPFEDSA-N 1 0 469.583 0.835 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCC(NS(C)(=O)=O)CC3)cc2F)CC1 ZINC000728403834 1069700229 /nfs/dbraw/zinc/70/02/29/1069700229.db2.gz SBYKSZKSWFXBIN-UHFFFAOYSA-N 1 0 469.583 0.835 20 0 JCADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)[NH+]1CCCCC1 ZINC000728403921 1067789431 /nfs/dbraw/zinc/78/94/31/1067789431.db2.gz ATBJZRCZYWEZLK-GOSISDBHSA-N 1 0 465.620 0.942 20 0 JCADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)[NH+]1CCCCC1 ZINC000728403922 1067789325 /nfs/dbraw/zinc/78/93/25/1067789325.db2.gz ATBJZRCZYWEZLK-SFHVURJKSA-N 1 0 465.620 0.942 20 0 JCADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 ZINC000728404042 1067789020 /nfs/dbraw/zinc/78/90/20/1067789020.db2.gz FSRKOIDBUUPRAO-UHFFFAOYSA-N 1 0 489.436 0.789 20 0 JCADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000728404069 1067789288 /nfs/dbraw/zinc/78/92/88/1067789288.db2.gz GRJOQRDDKFWWEB-UHFFFAOYSA-N 1 0 489.436 0.789 20 0 JCADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000728404128 1067789392 /nfs/dbraw/zinc/78/93/92/1067789392.db2.gz XHLQTOQDGRZSPY-UHFFFAOYSA-N 1 0 490.580 0.490 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2F)CC1 ZINC000728404345 1067790857 /nfs/dbraw/zinc/79/08/57/1067790857.db2.gz IWRCCEGZMKDXFQ-UHFFFAOYSA-N 1 0 455.556 0.446 20 0 JCADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000728404413 1067790667 /nfs/dbraw/zinc/79/06/67/1067790667.db2.gz KIIXUAKOFJMRDE-UHFFFAOYSA-N 1 0 457.572 0.739 20 0 JCADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[NH+]1CCCCC1 ZINC000728404519 1067790701 /nfs/dbraw/zinc/79/07/01/1067790701.db2.gz JNGCQYWMYHRMEF-IBGZPJMESA-N 1 0 458.607 0.826 20 0 JCADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[NH+]1CCCCC1 ZINC000728404520 1067790820 /nfs/dbraw/zinc/79/08/20/1067790820.db2.gz JNGCQYWMYHRMEF-LJQANCHMSA-N 1 0 458.607 0.826 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)cc2F)CC1 ZINC000728404822 1067790788 /nfs/dbraw/zinc/79/07/88/1067790788.db2.gz MPTJNRWKGPKCMP-INIZCTEOSA-N 1 0 469.583 0.835 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)cc2F)CC1 ZINC000728404824 1067790231 /nfs/dbraw/zinc/79/02/31/1067790231.db2.gz MPTJNRWKGPKCMP-MRXNPFEDSA-N 1 0 469.583 0.835 20 0 JCADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)cc2F)CC1 ZINC000728406080 1067791707 /nfs/dbraw/zinc/79/17/07/1067791707.db2.gz UUVXVJDILMRUIS-UHFFFAOYSA-N 1 0 469.583 0.836 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000728452124 1067803409 /nfs/dbraw/zinc/80/34/09/1067803409.db2.gz WUFUWSNMRVNGSL-UHFFFAOYSA-N 1 0 481.644 0.644 20 0 JCADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000728551144 1067843644 /nfs/dbraw/zinc/84/36/44/1067843644.db2.gz BPUZOOMVVLHLAR-HSZRJFAPSA-N 1 0 457.531 0.229 20 0 JCADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000728551145 1067843781 /nfs/dbraw/zinc/84/37/81/1067843781.db2.gz BPUZOOMVVLHLAR-QHCPKHFHSA-N 1 0 457.531 0.229 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000728551201 1067843088 /nfs/dbraw/zinc/84/30/88/1067843088.db2.gz DXNUPVPNWBKYBS-UHFFFAOYSA-N 1 0 473.599 0.614 20 0 JCADRO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728551316 1067843190 /nfs/dbraw/zinc/84/31/90/1067843190.db2.gz FTFWNABFAIRZNP-IBGZPJMESA-N 1 0 459.547 0.314 20 0 JCADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1Cl ZINC000728551333 1067843347 /nfs/dbraw/zinc/84/33/47/1067843347.db2.gz HGPWFDIVZUZCFC-UHFFFAOYSA-N 1 0 458.968 0.902 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000728551351 1067843109 /nfs/dbraw/zinc/84/31/09/1067843109.db2.gz HZNSUEORYUJQIZ-UHFFFAOYSA-N 1 0 485.006 0.741 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 ZINC000728551398 1067843221 /nfs/dbraw/zinc/84/32/21/1067843221.db2.gz JTANLXFWIPUFSD-UHFFFAOYSA-N 1 0 468.551 0.227 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 ZINC000728551419 1067843844 /nfs/dbraw/zinc/84/38/44/1067843844.db2.gz ATWNNPHKJPCZHT-UHFFFAOYSA-N 1 0 484.022 0.902 20 0 JCADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000728551794 1067843743 /nfs/dbraw/zinc/84/37/43/1067843743.db2.gz PJRYKDLISARKNX-UHFFFAOYSA-N 1 0 452.552 0.990 20 0 JCADRO CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728551954 1067843763 /nfs/dbraw/zinc/84/37/63/1067843763.db2.gz UKHMZNQAQTYFDH-FQEVSTJZSA-N 1 0 494.614 0.483 20 0 JCADRO CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728551956 1067843898 /nfs/dbraw/zinc/84/38/98/1067843898.db2.gz UKHMZNQAQTYFDH-HXUWFJFHSA-N 1 0 494.614 0.483 20 0 JCADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000728552027 1067843669 /nfs/dbraw/zinc/84/36/69/1067843669.db2.gz RENBWIYWDKQDED-UHFFFAOYSA-N 1 0 459.366 0.477 20 0 JCADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000728552122 1067843718 /nfs/dbraw/zinc/84/37/18/1067843718.db2.gz VEWSBWSVHBQPEW-UHFFFAOYSA-N 1 0 472.995 0.645 20 0 JCADRO C[NH+](C)CCCOc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000728552430 1067843830 /nfs/dbraw/zinc/84/38/30/1067843830.db2.gz CUCPOHVJIWLDLU-KRWDZBQOSA-N 1 0 450.561 0.799 20 0 JCADRO 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479.599 0.948 20 0 JCADRO CC(C)(CO)[NH+]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC001137936356 1071289869 /nfs/dbraw/zinc/28/98/69/1071289869.db2.gz HHPIIBYFWGAEJF-UHFFFAOYSA-N 1 0 455.577 0.822 20 0 JCADRO COc1ccc(CC(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001137936435 1071289914 /nfs/dbraw/zinc/28/99/14/1071289914.db2.gz JYHAWEHGEMIFAS-UHFFFAOYSA-N 1 0 455.577 0.174 20 0 JCADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C[C@H]1[NH+](C)C ZINC001137945180 1071289978 /nfs/dbraw/zinc/28/99/78/1071289978.db2.gz MRIQPOXZKGLLGF-MOPGFXCFSA-N 1 0 454.618 0.657 20 0 JCADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C[C@@H]1[NH+](C)C ZINC001137945181 1071289816 /nfs/dbraw/zinc/28/98/16/1071289816.db2.gz MRIQPOXZKGLLGF-OALUTQOASA-N 1 0 454.618 0.657 20 0 JCADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C[C@@H]1[NH+](C)C ZINC001137945182 1071289775 /nfs/dbraw/zinc/28/97/75/1071289775.db2.gz MRIQPOXZKGLLGF-RBUKOAKNSA-N 1 0 454.618 0.657 20 0 JCADRO 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20 0 JCADRO CSCC[C@H](NC(C)=O)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001144866243 1070450231 /nfs/dbraw/zinc/45/02/31/1070450231.db2.gz UCSBEWMVPBGTRZ-LBPRGKRZSA-N 1 0 458.566 0.023 20 0 JCADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c1 ZINC001144868291 1070450193 /nfs/dbraw/zinc/45/01/93/1070450193.db2.gz WDRHZQJIKAXRGU-UHFFFAOYSA-N 1 0 450.565 0.353 20 0 JCADRO Cc1ccc(C(=O)NCC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001144875821 1070451290 /nfs/dbraw/zinc/45/12/90/1070451290.db2.gz JMRGSCDUWJVHTJ-RBUKOAKNSA-N 1 0 469.567 0.556 20 0 JCADRO Cc1ccc(C(=O)NCC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)cc1 ZINC001144882964 1070451136 /nfs/dbraw/zinc/45/11/36/1070451136.db2.gz TUESCBNFCNAUQW-UHFFFAOYSA-N 1 0 460.516 0.503 20 0 JCADRO CC(=O)Nc1ccc(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)cc1 ZINC001144890917 1070452023 /nfs/dbraw/zinc/45/20/23/1070452023.db2.gz JMLCFDWLDLGOJE-UHFFFAOYSA-N 1 0 460.516 0.966 20 0 JCADRO 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KONZTIYVRIXCHM-NJDAHSKKSA-N 1 0 482.574 0.718 20 0 JCADRO CCCC[NH+](CCCC)CCCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 ZINC001144903448 1070454126 /nfs/dbraw/zinc/45/41/26/1070454126.db2.gz KONZTIYVRIXCHM-PCCBWWKXSA-N 1 0 482.574 0.718 20 0 JCADRO CCCC[NH+](CCCC)CCCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1 ZINC001144903449 1070454178 /nfs/dbraw/zinc/45/41/78/1070454178.db2.gz KONZTIYVRIXCHM-PWRODBHTSA-N 1 0 482.574 0.718 20 0 JCADRO CCCC[NH+](CCCC)CCCOC(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144903450 1070454237 /nfs/dbraw/zinc/45/42/37/1070454237.db2.gz KONZTIYVRIXCHM-QHAWAJNXSA-N 1 0 482.574 0.718 20 0 JCADRO CN(CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC001144932250 1070457269 /nfs/dbraw/zinc/45/72/69/1070457269.db2.gz XTMMTSIEDSIMOD-UHFFFAOYSA-N 1 0 457.556 0.675 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)c1 ZINC001144932576 1070457545 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/nfs/dbraw/zinc/45/81/88/1070458188.db2.gz FDGKZZGGCCJSRA-TZIWHRDSSA-N 1 0 457.575 0.773 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001144933689 1070458054 /nfs/dbraw/zinc/45/80/54/1070458054.db2.gz PGYUDXQWMQDGCQ-SLFFLAALSA-N 1 0 487.582 0.115 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001144933690 1070458292 /nfs/dbraw/zinc/45/82/92/1070458292.db2.gz PGYUDXQWMQDGCQ-XUVXKRRUSA-N 1 0 487.582 0.115 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)c1 ZINC001144933847 1070458162 /nfs/dbraw/zinc/45/81/62/1070458162.db2.gz QCACDTRHTBZGGF-QPPBQGQZSA-N 1 0 451.527 0.826 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)c1 ZINC001144933848 1070458271 /nfs/dbraw/zinc/45/82/71/1070458271.db2.gz QCACDTRHTBZGGF-URXFXBBRSA-N 1 0 451.527 0.826 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)c1 ZINC001144933849 1070458031 /nfs/dbraw/zinc/45/80/31/1070458031.db2.gz QCACDTRHTBZGGF-XUZZJYLKSA-N 1 0 451.527 0.826 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)c1 ZINC001144933850 1070457929 /nfs/dbraw/zinc/45/79/29/1070457929.db2.gz QCACDTRHTBZGGF-ZJSXRUAMSA-N 1 0 451.527 0.826 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)c1 ZINC001144934133 1070457886 /nfs/dbraw/zinc/45/78/86/1070457886.db2.gz TZVKPYLMWOTHTH-IBGZPJMESA-N 1 0 456.547 0.728 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)c1 ZINC001144934134 1070458108 /nfs/dbraw/zinc/45/81/08/1070458108.db2.gz TZVKPYLMWOTHTH-LJQANCHMSA-N 1 0 456.547 0.728 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC001144934267 1070458139 /nfs/dbraw/zinc/45/81/39/1070458139.db2.gz WKWAUHOJRHHCLI-AUSIDOKSSA-N 1 0 478.615 0.298 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)c1 ZINC001144934268 1070458307 /nfs/dbraw/zinc/45/83/07/1070458307.db2.gz WKWAUHOJRHHCLI-CVDCTZTESA-N 1 0 478.615 0.298 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC001144934269 1070458082 /nfs/dbraw/zinc/45/80/82/1070458082.db2.gz WKWAUHOJRHHCLI-WMZHIEFXSA-N 1 0 478.615 0.298 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)c1 ZINC001144934270 1070458350 /nfs/dbraw/zinc/45/83/50/1070458350.db2.gz WKWAUHOJRHHCLI-XXBNENTESA-N 1 0 478.615 0.298 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001144936646 1070460629 /nfs/dbraw/zinc/46/06/29/1070460629.db2.gz XPJJOOPIZATEFQ-IBGZPJMESA-N 1 0 451.531 0.510 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001144936647 1070460476 /nfs/dbraw/zinc/46/04/76/1070460476.db2.gz XPJJOOPIZATEFQ-LJQANCHMSA-N 1 0 451.531 0.510 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)c1 ZINC001144936770 1070460698 /nfs/dbraw/zinc/46/06/98/1070460698.db2.gz AVFKHHTVBVUEIV-GFCCVEGCSA-N 1 0 462.937 0.152 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)c1 ZINC001144936771 1070460596 /nfs/dbraw/zinc/46/05/96/1070460596.db2.gz AVFKHHTVBVUEIV-LBPRGKRZSA-N 1 0 462.937 0.152 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)c1 ZINC001144937608 1070460711 /nfs/dbraw/zinc/46/07/11/1070460711.db2.gz WABPJNSJFZHIFB-KRWDZBQOSA-N 1 0 488.570 0.700 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)c1 ZINC001144937609 1070460726 /nfs/dbraw/zinc/46/07/26/1070460726.db2.gz WABPJNSJFZHIFB-QGZVFWFLSA-N 1 0 488.570 0.700 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)n2ccnc(OC)c2=NS(=O)(=O)c2ccc(N)cc2)c1 ZINC001144937804 1070460615 /nfs/dbraw/zinc/46/06/15/1070460615.db2.gz ZKDFDNCLAPUDDO-GOSISDBHSA-N 1 0 457.512 0.982 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)n2ccnc(OC)c2=NS(=O)(=O)c2ccc(N)cc2)c1 ZINC001144937805 1070460689 /nfs/dbraw/zinc/46/06/89/1070460689.db2.gz ZKDFDNCLAPUDDO-SFHVURJKSA-N 1 0 457.512 0.982 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001144942230 1070459824 /nfs/dbraw/zinc/45/98/24/1070459824.db2.gz VWUIERKWKPIAJC-GOSISDBHSA-N 1 0 470.592 0.564 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001144942231 1070459659 /nfs/dbraw/zinc/45/96/59/1070459659.db2.gz VWUIERKWKPIAJC-SFHVURJKSA-N 1 0 470.592 0.564 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC001144942833 1070459842 /nfs/dbraw/zinc/45/98/42/1070459842.db2.gz CEIRNXXBMIMPML-HBMCJLEFSA-N 1 0 456.543 0.624 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC001144942834 1070459711 /nfs/dbraw/zinc/45/97/11/1070459711.db2.gz CEIRNXXBMIMPML-NJYVYQBISA-N 1 0 456.543 0.624 20 0 JCADRO CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001144942887 1070459860 /nfs/dbraw/zinc/45/98/60/1070459860.db2.gz NCJFXHGYWDVWMJ-AQNXPRMDSA-N 1 0 464.540 0.750 20 0 JCADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001144942888 1070459636 /nfs/dbraw/zinc/45/96/36/1070459636.db2.gz NCJFXHGYWDVWMJ-ZCNNSNEGSA-N 1 0 464.540 0.750 20 0 JCADRO COc1cccc(C[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 ZINC001144943905 1070459679 /nfs/dbraw/zinc/45/96/79/1070459679.db2.gz KMLKWOOPTJPUMN-IBGZPJMESA-N 1 0 466.494 0.851 20 0 JCADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 ZINC001144943906 1070459808 /nfs/dbraw/zinc/45/98/08/1070459808.db2.gz KMLKWOOPTJPUMN-LJQANCHMSA-N 1 0 466.494 0.851 20 0 JCADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001144947478 1070460642 /nfs/dbraw/zinc/46/06/42/1070460642.db2.gz HAISVHYXWLIYMW-GOSISDBHSA-N 1 0 453.609 0.977 20 0 JCADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001144947479 1070460427 /nfs/dbraw/zinc/46/04/27/1070460427.db2.gz HAISVHYXWLIYMW-SFHVURJKSA-N 1 0 453.609 0.977 20 0 JCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)C2)CC1 ZINC001144947514 1070460723 /nfs/dbraw/zinc/46/07/23/1070460723.db2.gz IDZCPEMZUNFYKF-AEFFLSMTSA-N 1 0 458.625 0.695 20 0 JCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)C2)CC1 ZINC001144947515 1070460550 /nfs/dbraw/zinc/46/05/50/1070460550.db2.gz IDZCPEMZUNFYKF-FUHWJXTLSA-N 1 0 458.625 0.695 20 0 JCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)C2)CC1 ZINC001144947516 1070460736 /nfs/dbraw/zinc/46/07/36/1070460736.db2.gz IDZCPEMZUNFYKF-SJLPKXTDSA-N 1 0 458.625 0.695 20 0 JCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H]3CN(C(=O)OC(C)(C)C)CCS3(=O)=O)C2)CC1 ZINC001144947517 1070460520 /nfs/dbraw/zinc/46/05/20/1070460520.db2.gz IDZCPEMZUNFYKF-WMZOPIPTSA-N 1 0 458.625 0.695 20 0 JCADRO Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001144947721 1070460668 /nfs/dbraw/zinc/46/06/68/1070460668.db2.gz OFTXPQBIRMZGKX-IBGZPJMESA-N 1 0 450.605 0.914 20 0 JCADRO Cc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001144947722 1070460560 /nfs/dbraw/zinc/46/05/60/1070460560.db2.gz OFTXPQBIRMZGKX-LJQANCHMSA-N 1 0 450.605 0.914 20 0 JCADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccccc3S(=O)(=O)CCS(C)(=O)=O)C2)CC1 ZINC001144947776 1070460610 /nfs/dbraw/zinc/46/06/10/1070460610.db2.gz QEOHYZGYSZAGBM-INIZCTEOSA-N 1 0 457.618 0.403 20 0 JCADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccccc3S(=O)(=O)CCS(C)(=O)=O)C2)CC1 ZINC001144947777 1070460720 /nfs/dbraw/zinc/46/07/20/1070460720.db2.gz QEOHYZGYSZAGBM-MRXNPFEDSA-N 1 0 457.618 0.403 20 0 JCADRO COC(=O)[C@H](CCC(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C)NC(C)=O ZINC001144956886 1070462917 /nfs/dbraw/zinc/46/29/17/1070462917.db2.gz DZYVVBPSNOKMAO-IBGZPJMESA-N 1 0 476.578 0.201 20 0 JCADRO COC(=O)[C@H](CCC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)NC(C)=O ZINC001144957237 1070460504 /nfs/dbraw/zinc/46/05/04/1070460504.db2.gz ISJMEPMDHPDNAW-SFHVURJKSA-N 1 0 454.531 0.824 20 0 JCADRO COC(=O)[C@H](CCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)NC(C)=O ZINC001144961901 1070462759 /nfs/dbraw/zinc/46/27/59/1070462759.db2.gz LZZDGVZLCZSZJQ-KRWDZBQOSA-N 1 0 452.533 0.290 20 0 JCADRO COC(=O)[C@H](CCC(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N)NC(C)=O ZINC001144963958 1070463545 /nfs/dbraw/zinc/46/35/45/1070463545.db2.gz QZCSGWZUWZHGRN-HNNXBMFYSA-N 1 0 455.475 0.375 20 0 JCADRO COC(=O)[C@H](CCC(=O)N([C@@H](CCCC[NH3+])C(=O)OC)S(=O)(=O)c1ccc(C)cc1)NC(C)=O ZINC001144965884 1070463651 /nfs/dbraw/zinc/46/36/51/1070463651.db2.gz BZNLZQOKYZEUDI-OALUTQOASA-N 1 0 499.586 0.641 20 0 JCADRO COC(=O)[C@H](CCC(=O)N(CC1([NH3+])CCCCC1)S(=O)(=O)c1c(C)noc1C)NC(C)=O ZINC001144965915 1070464712 /nfs/dbraw/zinc/46/47/12/1070464712.db2.gz COKKAEZWOCPNRF-INIZCTEOSA-N 1 0 472.564 0.928 20 0 JCADRO O=C([C@H]1CC(=O)N(C2CCCCC2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144984941 1070464449 /nfs/dbraw/zinc/46/44/49/1070464449.db2.gz JEEDQIPYQZSVQO-FFZOFVMBSA-N 1 0 487.626 0.999 20 0 JCADRO O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001144984946 1070464589 /nfs/dbraw/zinc/46/45/89/1070464589.db2.gz JEEDQIPYQZSVQO-LSTHTHJFSA-N 1 0 487.626 0.999 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c2nonc21 ZINC001145004745 1070465213 /nfs/dbraw/zinc/46/52/13/1070465213.db2.gz KTTCAKDMQLNECJ-AWEZNQCLSA-N 1 0 478.575 0.946 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c2nonc21 ZINC001145004755 1070465342 /nfs/dbraw/zinc/46/53/42/1070465342.db2.gz KTTCAKDMQLNECJ-CQSZACIVSA-N 1 0 478.575 0.946 20 0 JCADRO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001145096026 1070469681 /nfs/dbraw/zinc/46/96/81/1070469681.db2.gz KBZITQUPQHIXPB-NJAFHUGGSA-N 1 0 466.583 0.627 20 0 JCADRO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001145096028 1070469676 /nfs/dbraw/zinc/46/96/76/1070469676.db2.gz KBZITQUPQHIXPB-NXHRZFHOSA-N 1 0 466.583 0.627 20 0 JCADRO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001145105924 1070471011 /nfs/dbraw/zinc/47/10/11/1070471011.db2.gz JHEQERGBVXYTPQ-RISCZKNCSA-N 1 0 486.551 0.039 20 0 JCADRO CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001145109932 1070472511 /nfs/dbraw/zinc/47/25/11/1070472511.db2.gz MTNCEZCCOOEWRF-DMPWYTOCSA-N 1 0 495.602 0.094 20 0 JCADRO Cn1nnc2c1CCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001145111652 1070473498 /nfs/dbraw/zinc/47/34/98/1070473498.db2.gz UBJJIKHOTFUZIO-JTSKRJEESA-N 1 0 466.583 0.629 20 0 JCADRO Cn1nnc2c1CCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001145111659 1070473246 /nfs/dbraw/zinc/47/32/46/1070473246.db2.gz UBJJIKHOTFUZIO-VGSWGCGISA-N 1 0 466.583 0.629 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)c2nonc21 ZINC001146195005 1070475787 /nfs/dbraw/zinc/47/57/87/1070475787.db2.gz FQCOUWNLNLXXFA-IBGZPJMESA-N 1 0 486.551 0.041 20 0 JCADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001146196026 1070475634 /nfs/dbraw/zinc/47/56/34/1070475634.db2.gz GZEDJMUTAUPVKG-KRWDZBQOSA-N 1 0 456.634 0.598 20 0 JCADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001146196027 1070475766 /nfs/dbraw/zinc/47/57/66/1070475766.db2.gz GZEDJMUTAUPVKG-QGZVFWFLSA-N 1 0 456.634 0.598 20 0 JCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC001146196169 1070476468 /nfs/dbraw/zinc/47/64/68/1070476468.db2.gz HQQNLCZOFCZJNR-GOSISDBHSA-N 1 0 454.593 0.056 20 0 JCADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC001146196170 1070476461 /nfs/dbraw/zinc/47/64/61/1070476461.db2.gz HQQNLCZOFCZJNR-SFHVURJKSA-N 1 0 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459.609 0.884 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3ncnn3C)nc2C(N)=O)nc1C ZINC001147002199 1070533071 /nfs/dbraw/zinc/53/30/71/1070533071.db2.gz UOHPKHNOAQXSBZ-LSDHHAIUSA-N 1 0 464.534 0.725 20 0 JCADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2cccc(Br)c2)cn1 ZINC001147112838 1070534636 /nfs/dbraw/zinc/53/46/36/1070534636.db2.gz MMAKXVHKZDLLCQ-UHFFFAOYSA-N 1 0 451.325 0.692 20 0 JCADRO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2=O)cc1 ZINC001147112926 1070534679 /nfs/dbraw/zinc/53/46/79/1070534679.db2.gz NKFURBDQMYLRNP-JOCHJYFZSA-N 1 0 455.519 0.275 20 0 JCADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2=O)cc1 ZINC001147112930 1070534733 /nfs/dbraw/zinc/53/47/33/1070534733.db2.gz NKFURBDQMYLRNP-QFIPXVFZSA-N 1 0 455.519 0.275 20 0 JCADRO CC(C)NS(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1F ZINC001147113254 1070534578 /nfs/dbraw/zinc/53/45/78/1070534578.db2.gz OPLHCDIONTWVCG-UHFFFAOYSA-N 1 0 454.528 0.639 20 0 JCADRO 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COc1cccc(N=c2ncn(C(=O)c3ccnnc3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147202458 1070535245 /nfs/dbraw/zinc/53/52/45/1070535245.db2.gz OLYYVYQUHFDKDK-NHCUHLMSSA-N 1 0 474.525 0.749 20 0 JCADRO Cc1cccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001147222583 1070535628 /nfs/dbraw/zinc/53/56/28/1070535628.db2.gz MXARHZHQKQODFR-FHWLQOOXSA-N 1 0 460.579 0.235 20 0 JCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001147226519 1070535865 /nfs/dbraw/zinc/53/58/65/1070535865.db2.gz MLHLQWIMRJYZJV-KRWDZBQOSA-N 1 0 452.577 0.883 20 0 JCADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001147226520 1070535806 /nfs/dbraw/zinc/53/58/06/1070535806.db2.gz MLHLQWIMRJYZJV-QGZVFWFLSA-N 1 0 452.577 0.883 20 0 JCADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001147227145 1070536355 /nfs/dbraw/zinc/53/63/55/1070536355.db2.gz QLSDQIMPGLFXLU-INIZCTEOSA-N 1 0 450.561 0.038 20 0 JCADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001147227146 1070536411 /nfs/dbraw/zinc/53/64/11/1070536411.db2.gz QLSDQIMPGLFXLU-MRXNPFEDSA-N 1 0 450.561 0.038 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccc(=O)[nH]n3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147229865 1070536105 /nfs/dbraw/zinc/53/61/05/1070536105.db2.gz SSILWFLATQOYEJ-UYAOXDASSA-N 1 0 490.524 0.455 20 0 JCADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC001147235575 1070536161 /nfs/dbraw/zinc/53/61/61/1070536161.db2.gz QVIZMKLRCMKGSZ-HNNXBMFYSA-N 1 0 458.606 0.280 20 0 JCADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC001147235576 1070536273 /nfs/dbraw/zinc/53/62/73/1070536273.db2.gz QVIZMKLRCMKGSZ-OAHLLOKOSA-N 1 0 458.606 0.280 20 0 JCADRO Cc1nc(C)c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)s1 ZINC001147247222 1070535741 /nfs/dbraw/zinc/53/57/41/1070535741.db2.gz VJBRXXUNFZBNIF-ULQDDVLXSA-N 1 0 480.635 0.604 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3c[nH]cn3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147259971 1070536766 /nfs/dbraw/zinc/53/67/66/1070536766.db2.gz VSMFSROMGQQSNG-UYAOXDASSA-N 1 0 462.514 0.682 20 0 JCADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1OC ZINC001147270417 1070537438 /nfs/dbraw/zinc/53/74/38/1070537438.db2.gz LCPUAEVVCVFQNZ-UHFFFAOYSA-N 1 0 455.577 0.943 20 0 JCADRO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[NH+](CC2CCOCC2)CC1 ZINC001147271127 1070537540 /nfs/dbraw/zinc/53/75/40/1070537540.db2.gz UEUFUILRNWZUNS-UHFFFAOYSA-N 1 0 453.561 0.697 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3cnn(C)c3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147286554 1070537639 /nfs/dbraw/zinc/53/76/39/1070537639.db2.gz XSDRNXJOTDNASO-NHCUHLMSSA-N 1 0 476.541 0.693 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccnn3C)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147336857 1070538133 /nfs/dbraw/zinc/53/81/33/1070538133.db2.gz HLLDZJKIILAAAL-TZIWHRDSSA-N 1 0 476.541 0.693 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccn(C)n3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147352888 1070538603 /nfs/dbraw/zinc/53/86/03/1070538603.db2.gz BPZKFCKTMHGDCM-TZIWHRDSSA-N 1 0 476.541 0.693 20 0 JCADRO Cc1ncsc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001147391062 1070539547 /nfs/dbraw/zinc/53/95/47/1070539547.db2.gz KVDPWEUWRMVWGR-JYJNAYRXSA-N 1 0 466.608 0.296 20 0 JCADRO Cc1cncc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC001147408856 1070540377 /nfs/dbraw/zinc/54/03/77/1070540377.db2.gz VJYSLFSEMDZZRJ-FHWLQOOXSA-N 1 0 460.579 0.235 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ncccn3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147418772 1070540169 /nfs/dbraw/zinc/54/01/69/1070540169.db2.gz CTWZGFRCMBSZOZ-WOJBJXKFSA-N 1 0 474.525 0.749 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3cncnc3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147433962 1070539812 /nfs/dbraw/zinc/53/98/12/1070539812.db2.gz LHKNEPDGOMUYLJ-NHCUHLMSSA-N 1 0 474.525 0.749 20 0 JCADRO Cc1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)nc1 ZINC001147456797 1070541523 /nfs/dbraw/zinc/54/15/23/1070541523.db2.gz HJQRPXCACZXULU-FHWLQOOXSA-N 1 0 460.579 0.235 20 0 JCADRO CC(C)c1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)no1 ZINC001147492360 1070541621 /nfs/dbraw/zinc/54/16/21/1070541621.db2.gz PBTGJRYHBDDDDI-IEZWGBDMSA-N 1 0 478.594 0.643 20 0 JCADRO CCc1oncc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001147512303 1070541429 /nfs/dbraw/zinc/54/14/29/1070541429.db2.gz NZAXDDSAEKZYQI-BQFCYCMXSA-N 1 0 464.567 0.082 20 0 JCADRO Cc1scc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)c1C ZINC001147531751 1070543404 /nfs/dbraw/zinc/54/34/04/1070543404.db2.gz ZNUJNRWSMLSHHV-DZGCQCFKSA-N 1 0 492.558 0.404 20 0 JCADRO Cc1scc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1C ZINC001147531752 1070543273 /nfs/dbraw/zinc/54/32/73/1070543273.db2.gz ZNUJNRWSMLSHHV-ZFWWWQNUSA-N 1 0 492.558 0.404 20 0 JCADRO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)c1cc3n(n1)CCNC3=O)C2 ZINC001147546197 1070542165 /nfs/dbraw/zinc/54/21/65/1070542165.db2.gz VWCZXIYOSZEUAM-UHFFFAOYSA-N 1 0 453.499 0.947 20 0 JCADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)c3cc4n(n3)CCNC4=O)ccc12 ZINC001147554023 1070542453 /nfs/dbraw/zinc/54/24/53/1070542453.db2.gz BGGRWFAMZHOKSY-INIZCTEOSA-N 1 0 475.465 0.744 20 0 JCADRO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)c1cc2n(n1)CCNC2=O ZINC001147554117 1070542821 /nfs/dbraw/zinc/54/28/21/1070542821.db2.gz GOAHVXYDSNODJD-UHFFFAOYSA-N 1 0 450.521 0.724 20 0 JCADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)c1cc2n(n1)CCNC2=O)S(=O)(=O)c1ccc(C)cc1 ZINC001147554508 1070542722 /nfs/dbraw/zinc/54/27/22/1070542722.db2.gz RZHGKCGDMOWWBO-KRWDZBQOSA-N 1 0 477.543 0.437 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccc(=O)oc3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147594703 1070543734 /nfs/dbraw/zinc/54/37/34/1070543734.db2.gz CEPLWKFWNYLOHU-NHCUHLMSSA-N 1 0 490.520 0.912 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3cc(=O)cco3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147613562 1070545114 /nfs/dbraw/zinc/54/51/14/1070545114.db2.gz QNAPWUNMQWLWMV-NHCUHLMSSA-N 1 0 490.520 0.912 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3c[nH]c(=O)cn3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001147629296 1070544436 /nfs/dbraw/zinc/54/44/36/1070544436.db2.gz CUNPKGKOICLRFE-UYAOXDASSA-N 1 0 490.524 0.043 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3c[nH]c(=O)cn3)nc2C(N)=O)nc1C ZINC001147629572 1070544353 /nfs/dbraw/zinc/54/43/53/1070544353.db2.gz CADQEYZFQUFRIY-LSDHHAIUSA-N 1 0 477.529 0.680 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cnoc1C1CC1)C(N)=O ZINC001147667252 1070545295 /nfs/dbraw/zinc/54/52/95/1070545295.db2.gz VGVBQSXFSBQYHS-BZSNNMDCSA-N 1 0 476.578 0.397 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc[nH]c1=S)C(N)=O ZINC001147689166 1070545914 /nfs/dbraw/zinc/54/59/14/1070545914.db2.gz AXUAZBUOFODFAP-ULQDDVLXSA-N 1 0 478.619 0.215 20 0 JCADRO CCc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)cs1 ZINC001147714773 1070546451 /nfs/dbraw/zinc/54/64/51/1070546451.db2.gz XYKAIVCMNBIIBH-DZGCQCFKSA-N 1 0 492.558 0.349 20 0 JCADRO CCc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cs1 ZINC001147714775 1070546344 /nfs/dbraw/zinc/54/63/44/1070546344.db2.gz XYKAIVCMNBIIBH-ZFWWWQNUSA-N 1 0 492.558 0.349 20 0 JCADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)c1nccnc1C(N)=O)S(=O)(=O)c1ccc(C)cc1 ZINC001147760549 1070546797 /nfs/dbraw/zinc/54/67/97/1070546797.db2.gz UDXCUXHNBRMXDS-HNNXBMFYSA-N 1 0 463.516 0.386 20 0 JCADRO COc1ccc(F)c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001147784296 1070550038 /nfs/dbraw/zinc/55/00/38/1070550038.db2.gz BNEISDQOJGYWMF-BQFCYCMXSA-N 1 0 494.568 0.074 20 0 JCADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC001147791007 1070549971 /nfs/dbraw/zinc/54/99/71/1070549971.db2.gz UJOMKOJJCUKZQD-UHFFFAOYSA-N 1 0 459.012 0.877 20 0 JCADRO CC(=O)Nc1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)ccn1 ZINC001147817418 1070550912 /nfs/dbraw/zinc/55/09/12/1070550912.db2.gz ZCTXGRWIPAWQFW-DLBZAZTESA-N 1 0 456.528 0.220 20 0 JCADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)Cc2ccccc2C1 ZINC001147820307 1070550767 /nfs/dbraw/zinc/55/07/67/1070550767.db2.gz AJCIIHWGJUOJKK-UHFFFAOYSA-N 1 0 456.568 0.636 20 0 JCADRO Cc1ncc(CO)c(C(=O)N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)c1O ZINC001147835923 1070551626 /nfs/dbraw/zinc/55/16/26/1070551626.db2.gz GQOHRIMCDMCYGA-UHFFFAOYSA-N 1 0 456.547 0.958 20 0 JCADRO Cc1ncc(CO)c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1[O-] ZINC001147843947 1070552511 /nfs/dbraw/zinc/55/25/11/1070552511.db2.gz JJJRNGWLFHUKES-GLMBBGGXSA-N 1 0 454.568 0.497 20 0 JCADRO Cc1ncc(CO)c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1[O-] ZINC001147843948 1070552147 /nfs/dbraw/zinc/55/21/47/1070552147.db2.gz JJJRNGWLFHUKES-GLTASUDUSA-N 1 0 454.568 0.497 20 0 JCADRO Cc1ncc(CO)c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1[O-] ZINC001147843949 1070552310 /nfs/dbraw/zinc/55/23/10/1070552310.db2.gz JJJRNGWLFHUKES-LEMNDHKUSA-N 1 0 454.568 0.497 20 0 JCADRO Cc1ncc(CO)c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1[O-] ZINC001147843950 1070552344 /nfs/dbraw/zinc/55/23/44/1070552344.db2.gz JJJRNGWLFHUKES-MCMGAVPUSA-N 1 0 454.568 0.497 20 0 JCADRO O=C(c1cncc(Br)n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147868712 1070553432 /nfs/dbraw/zinc/55/34/32/1070553432.db2.gz SWSRHTJYJROKGA-GXTWGEPZSA-N 1 0 479.360 0.419 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cncc(Br)n2)c2nonc21 ZINC001147876509 1070554191 /nfs/dbraw/zinc/55/41/91/1070554191.db2.gz CJMORIVKHKSKKC-UHFFFAOYSA-N 1 0 470.309 0.631 20 0 JCADRO O=C(c1ccc(CC[NH+]2CCCC2)nc1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001147967129 1070555293 /nfs/dbraw/zinc/55/52/93/1070555293.db2.gz DSPXEQPYSRNAMQ-BHDDXSALSA-N 1 0 490.626 0.454 20 0 JCADRO O=C(c1ccc(CC[NH+]2CCCC2)nc1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001147967132 1070555247 /nfs/dbraw/zinc/55/52/47/1070555247.db2.gz DSPXEQPYSRNAMQ-YPAWHYETSA-N 1 0 490.626 0.454 20 0 JCADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(CC[NH+]2CCCC2)nc1)C(=O)NCC(N)=O ZINC001147969212 1070555145 /nfs/dbraw/zinc/55/51/45/1070555145.db2.gz SNPRNSPZDVUPSZ-SFTDATJTSA-N 1 0 486.617 0.457 20 0 JCADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)cc1Cl ZINC001147973038 1070555856 /nfs/dbraw/zinc/55/58/56/1070555856.db2.gz DEJQZLVOJWTSON-UHFFFAOYSA-N 1 0 487.991 0.920 20 0 JCADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147974486 1070555844 /nfs/dbraw/zinc/55/58/44/1070555844.db2.gz FFSFNLVSYRITDZ-BBUKYQEGSA-N 1 0 489.594 0.864 20 0 JCADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147974487 1070555698 /nfs/dbraw/zinc/55/56/98/1070555698.db2.gz FFSFNLVSYRITDZ-COIJTRFSSA-N 1 0 489.594 0.864 20 0 JCADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147974488 1070555849 /nfs/dbraw/zinc/55/58/49/1070555849.db2.gz FFSFNLVSYRITDZ-NBTNLBJRSA-N 1 0 489.594 0.864 20 0 JCADRO O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147974489 1070555756 /nfs/dbraw/zinc/55/57/56/1070555756.db2.gz FFSFNLVSYRITDZ-WGNYYXNJSA-N 1 0 489.594 0.864 20 0 JCADRO CCn1c(CCC(=O)NCC2(O)CC[NH+](C)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001147977502 1070555734 /nfs/dbraw/zinc/55/57/34/1070555734.db2.gz LCMHVWICAHWPGF-UHFFFAOYSA-N 1 0 451.593 0.812 20 0 JCADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147979421 1070555939 /nfs/dbraw/zinc/55/59/39/1070555939.db2.gz AFMYHZWBIUUUHH-PMACEKPBSA-N 1 0 453.547 0.260 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1sc2cc(F)ccc2c1Cl ZINC001147993343 1070558669 /nfs/dbraw/zinc/55/86/69/1070558669.db2.gz OZBLSAKQMWUPAH-KPZXJGSASA-N 1 0 494.892 0.449 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1=CN3C(=CC=C[C@H]3C(F)(F)F)N1)CC2 ZINC001148001442 1070555783 /nfs/dbraw/zinc/55/57/83/1070555783.db2.gz FAWWSDRTANMUFR-HNNXBMFYSA-N 1 0 452.437 0.939 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1=CN3C(=CC=C[C@@H]3C(F)(F)F)N1)CC2 ZINC001148001443 1070555835 /nfs/dbraw/zinc/55/58/35/1070555835.db2.gz FAWWSDRTANMUFR-OAHLLOKOSA-N 1 0 452.437 0.939 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1=CN3C(=CC=C[C@H]3C(F)(F)F)N1)CC2 ZINC001148001842 1070556467 /nfs/dbraw/zinc/55/64/67/1070556467.db2.gz HVFNREYBWKTCGS-KRWDZBQOSA-N 1 0 468.524 0.772 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1=CN3C(=CC=C[C@@H]3C(F)(F)F)N1)CC2 ZINC001148001849 1070556424 /nfs/dbraw/zinc/55/64/24/1070556424.db2.gz HVFNREYBWKTCGS-QGZVFWFLSA-N 1 0 468.524 0.772 20 0 JCADRO CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC001148024593 1070558494 /nfs/dbraw/zinc/55/84/94/1070558494.db2.gz YLZQGXXGNBXLIO-GOSISDBHSA-N 1 0 451.568 0.524 20 0 JCADRO CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC001148024595 1070558201 /nfs/dbraw/zinc/55/82/01/1070558201.db2.gz YLZQGXXGNBXLIO-SFHVURJKSA-N 1 0 451.568 0.524 20 0 JCADRO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001148072227 1070559177 /nfs/dbraw/zinc/55/91/77/1070559177.db2.gz LCVYXCLWOBOOIP-KRWDZBQOSA-N 1 0 453.561 0.574 20 0 JCADRO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001148072228 1070559273 /nfs/dbraw/zinc/55/92/73/1070559273.db2.gz LCVYXCLWOBOOIP-QGZVFWFLSA-N 1 0 453.561 0.574 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)cc1 ZINC001148072268 1070559318 /nfs/dbraw/zinc/55/93/18/1070559318.db2.gz MHNWKWVHTQMLDC-FQEVSTJZSA-N 1 0 450.605 0.359 20 0 JCADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2)cc1 ZINC001148072269 1070559135 /nfs/dbraw/zinc/55/91/35/1070559135.db2.gz MHNWKWVHTQMLDC-HXUWFJFHSA-N 1 0 450.605 0.359 20 0 JCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)c1 ZINC001148078875 1070560021 /nfs/dbraw/zinc/56/00/21/1070560021.db2.gz LMONQAOOSJOZIW-NRFANRHFSA-N 1 0 450.605 0.504 20 0 JCADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2)c1 ZINC001148078876 1070560800 /nfs/dbraw/zinc/56/08/00/1070560800.db2.gz LMONQAOOSJOZIW-OAQYLSRUSA-N 1 0 450.605 0.504 20 0 JCADRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cn2c3c(cc(F)c(N4CCN(C)CC4)c3OC[C@H]2C)c1=O ZINC001148153972 1070562392 /nfs/dbraw/zinc/56/23/92/1070562392.db2.gz BGOIWFXAMWGGOE-CYBMUJFWSA-N 1 0 481.532 0.977 20 0 JCADRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cn2c3c(cc(F)c(N4CCN(C)CC4)c3OC[C@@H]2C)c1=O ZINC001148153973 1070562407 /nfs/dbraw/zinc/56/24/07/1070562407.db2.gz BGOIWFXAMWGGOE-ZDUSSCGKSA-N 1 0 481.532 0.977 20 0 JCADRO C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N(CC[NH3+])S(C)(=O)=O)cn1c32 ZINC001148155295 1070563550 /nfs/dbraw/zinc/56/35/50/1070563550.db2.gz MURKKEOHOVHGFD-CYBMUJFWSA-N 1 0 481.550 0.206 20 0 JCADRO C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N(CC[NH3+])S(C)(=O)=O)cn1c32 ZINC001148155296 1070563514 /nfs/dbraw/zinc/56/35/14/1070563514.db2.gz MURKKEOHOVHGFD-ZDUSSCGKSA-N 1 0 481.550 0.206 20 0 JCADRO C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)n1cnc(C[NH3+])cc1=N)c3=O ZINC001148156515 1070564541 /nfs/dbraw/zinc/56/45/41/1070564541.db2.gz PTRKIORRWZGPDY-CYBMUJFWSA-N 1 0 467.505 0.669 20 0 JCADRO C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)n1cnc(C[NH3+])cc1=N)c3=O ZINC001148156518 1070564508 /nfs/dbraw/zinc/56/45/08/1070564508.db2.gz PTRKIORRWZGPDY-ZDUSSCGKSA-N 1 0 467.505 0.669 20 0 JCADRO C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N(CCCC[NH3+])C(=N)N)c3=O ZINC001148157388 1070565327 /nfs/dbraw/zinc/56/53/27/1070565327.db2.gz VYXWPKVUQMVPOM-AWEZNQCLSA-N 1 0 473.553 0.920 20 0 JCADRO C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N(CCCC[NH3+])C(=N)N)c3=O ZINC001148157389 1070565062 /nfs/dbraw/zinc/56/50/62/1070565062.db2.gz VYXWPKVUQMVPOM-CQSZACIVSA-N 1 0 473.553 0.920 20 0 JCADRO CCOC(=O)CN(CC[NH3+])C(=O)c1cn2c3c(cc(F)c(N4CCN(C)CC4)c3OC[C@@H]2C)c1=O ZINC001148162471 1070565698 /nfs/dbraw/zinc/56/56/98/1070565698.db2.gz FXGVAJYUPDRVFN-HNNXBMFYSA-N 1 0 489.548 0.810 20 0 JCADRO CCOC(=O)CN(CC[NH3+])C(=O)c1cn2c3c(cc(F)c(N4CCN(C)CC4)c3OC[C@H]2C)c1=O ZINC001148162472 1070565717 /nfs/dbraw/zinc/56/57/17/1070565717.db2.gz FXGVAJYUPDRVFN-OAHLLOKOSA-N 1 0 489.548 0.810 20 0 JCADRO C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)n1cc(C[NH3+])cnc1=N)c3=O ZINC001148163238 1070566341 /nfs/dbraw/zinc/56/63/41/1070566341.db2.gz OWGCTPWHWLOGNK-CYBMUJFWSA-N 1 0 467.505 0.669 20 0 JCADRO C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)n1cc(C[NH3+])cnc1=N)c3=O ZINC001148163239 1070566125 /nfs/dbraw/zinc/56/61/25/1070566125.db2.gz OWGCTPWHWLOGNK-ZDUSSCGKSA-N 1 0 467.505 0.669 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccncn3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001148175291 1070566839 /nfs/dbraw/zinc/56/68/39/1070566839.db2.gz GPOOXEDCKCGZEQ-TZIWHRDSSA-N 1 0 474.525 0.749 20 0 JCADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001148187891 1070567524 /nfs/dbraw/zinc/56/75/24/1070567524.db2.gz RQVMQCAFMVWGHX-AOIWGVFYSA-N 1 0 457.980 0.833 20 0 JCADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001148187893 1070567264 /nfs/dbraw/zinc/56/72/64/1070567264.db2.gz RQVMQCAFMVWGHX-LMMKCTJWSA-N 1 0 457.980 0.833 20 0 JCADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001148187896 1070567235 /nfs/dbraw/zinc/56/72/35/1070567235.db2.gz RQVMQCAFMVWGHX-LNLFQRSKSA-N 1 0 457.980 0.833 20 0 JCADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC001148187898 1070567494 /nfs/dbraw/zinc/56/74/94/1070567494.db2.gz RQVMQCAFMVWGHX-SCTDSRPQSA-N 1 0 457.980 0.833 20 0 JCADRO Cn1c2[nH]c(CCC(=O)Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)nc2c(=O)[nH]c1=O ZINC001148198900 1070565138 /nfs/dbraw/zinc/56/51/38/1070565138.db2.gz NZYBZHHCXULISP-UHFFFAOYSA-N 1 0 455.519 0.560 20 0 JCADRO COc1cccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1O ZINC001148212524 1070567367 /nfs/dbraw/zinc/56/73/67/1070567367.db2.gz BNMVWBXTMXNEAL-LNLFQRSKSA-N 1 0 491.589 0.245 20 0 JCADRO COC(=O)c1ccccc1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001148231605 1070567903 /nfs/dbraw/zinc/56/79/03/1070567903.db2.gz KYYHOTFRWRQZMZ-ZWKOTPCHSA-N 1 0 456.524 0.653 20 0 JCADRO Cc1ccc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)c(C)c1 ZINC001148252820 1070568119 /nfs/dbraw/zinc/56/81/19/1070568119.db2.gz GRIUCQGTCFMSSH-DOTOQJQBSA-N 1 0 486.529 0.342 20 0 JCADRO Cc1ccc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c(C)c1 ZINC001148252821 1070567972 /nfs/dbraw/zinc/56/79/72/1070567972.db2.gz GRIUCQGTCFMSSH-RDJZCZTQSA-N 1 0 486.529 0.342 20 0 JCADRO COc1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)cc1O ZINC001148271683 1070569143 /nfs/dbraw/zinc/56/91/43/1070569143.db2.gz YJLIAIXHUBSUGN-ZWOKBUDYSA-N 1 0 491.589 0.245 20 0 JCADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC001148274655 1070569354 /nfs/dbraw/zinc/56/93/54/1070569354.db2.gz AMHMPUFTVLHSTH-UHFFFAOYSA-N 1 0 452.577 0.474 20 0 JCADRO COc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1S(=O)(=O)NC1CC1 ZINC001148274736 1070569320 /nfs/dbraw/zinc/56/93/20/1070569320.db2.gz FEBLCAVBOCWTDV-UHFFFAOYSA-N 1 0 452.577 0.666 20 0 JCADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1OC ZINC001148275730 1070569338 /nfs/dbraw/zinc/56/93/38/1070569338.db2.gz RQNBXEFJPFSYOU-UHFFFAOYSA-N 1 0 455.577 0.784 20 0 JCADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC001148276275 1070569574 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719425970 /nfs/dbraw/zinc/42/59/70/719425970.db2.gz BBVWPTLMCCUOSW-UXHICEINSA-N 1 0 473.647 0.795 20 0 JCADRO CN1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666078 719426889 /nfs/dbraw/zinc/42/68/89/719426889.db2.gz BBVWPTLMCCUOSW-VQTJNVASSA-N 1 0 473.647 0.795 20 0 JCADRO CN1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666079 719426153 /nfs/dbraw/zinc/42/61/53/719426153.db2.gz BBVWPTLMCCUOSW-WOJBJXKFSA-N 1 0 473.647 0.795 20 0 JCADRO COC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164679451 719643240 /nfs/dbraw/zinc/64/32/40/719643240.db2.gz AWCQEQFIXXIQBJ-UHFFFAOYSA-N 1 0 492.602 0.561 20 0 JCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001164684177 719705200 /nfs/dbraw/zinc/70/52/00/719705200.db2.gz NNQWLGUKMNPVIO-UHFFFAOYSA-N 1 0 459.595 0.331 20 0 JCADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164690025 719745688 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0.702 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[C@@H]1C(F)(F)F ZINC001168526634 1069211975 /nfs/dbraw/zinc/21/19/75/1069211975.db2.gz CWSOKTGKAHUSOO-KTOKRVLESA-N 1 0 494.467 0.488 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[C@H]1C(F)(F)F ZINC001168526635 1069211901 /nfs/dbraw/zinc/21/19/01/1069211901.db2.gz CWSOKTGKAHUSOO-MORDUDPPSA-N 1 0 494.467 0.488 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[C@@H]1C(F)(F)F ZINC001168526636 1069212036 /nfs/dbraw/zinc/21/20/36/1069212036.db2.gz CWSOKTGKAHUSOO-UVYKZELPSA-N 1 0 494.467 0.488 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)C[C@H]1C(F)(F)F ZINC001168526638 1069211765 /nfs/dbraw/zinc/21/17/65/1069211765.db2.gz CWSOKTGKAHUSOO-YZRJEHAMSA-N 1 0 494.467 0.488 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@@H]1C(F)(F)F ZINC001168543276 1069283597 /nfs/dbraw/zinc/28/35/97/1069283597.db2.gz YODWJHQOHDFGFY-HZSPNIEDSA-N 1 0 479.500 0.499 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(F)(F)F ZINC001168543285 1069283392 /nfs/dbraw/zinc/28/33/92/1069283392.db2.gz YODWJHQOHDFGFY-IHRRRGAJSA-N 1 0 479.500 0.499 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@@H]1C(F)(F)F ZINC001168543286 1069283571 /nfs/dbraw/zinc/28/35/71/1069283571.db2.gz YODWJHQOHDFGFY-MELADBBJSA-N 1 0 479.500 0.499 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(F)(F)F ZINC001168543288 1069283496 /nfs/dbraw/zinc/28/34/96/1069283496.db2.gz YODWJHQOHDFGFY-RDBSUJKOSA-N 1 0 479.500 0.499 20 0 JCADRO C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001168550365 1069325205 /nfs/dbraw/zinc/32/52/05/1069325205.db2.gz CRXSPUZNLWQMBF-DVYSLKTASA-N 1 0 458.474 0.751 20 0 JCADRO C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001168550370 1069325366 /nfs/dbraw/zinc/32/53/66/1069325366.db2.gz CRXSPUZNLWQMBF-RVWUJTDLSA-N 1 0 458.474 0.751 20 0 JCADRO C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001168550376 1069325355 /nfs/dbraw/zinc/32/53/55/1069325355.db2.gz CRXSPUZNLWQMBF-VDHOWQJKSA-N 1 0 458.474 0.751 20 0 JCADRO C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001168550378 1069325249 /nfs/dbraw/zinc/32/52/49/1069325249.db2.gz CRXSPUZNLWQMBF-ZDSWLMBUSA-N 1 0 458.474 0.751 20 0 JCADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC001168581235 1069434934 /nfs/dbraw/zinc/43/49/34/1069434934.db2.gz SVMFKLYTDQOAHE-GOSISDBHSA-N 1 0 458.606 0.813 20 0 JCADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC001168581237 1069434871 /nfs/dbraw/zinc/43/48/71/1069434871.db2.gz SVMFKLYTDQOAHE-SFHVURJKSA-N 1 0 458.606 0.813 20 0 JCADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001168611730 1069451441 /nfs/dbraw/zinc/45/14/41/1069451441.db2.gz FBZHENVSWXZNML-UHFFFAOYSA-N 1 0 450.624 0.787 20 0 JCADRO COc1ccc([C@@H]2C[C@@H](n3c4c(ncn4[C@H]4C[C@H]([NH3+])[C@@H](CO)O4)c(=O)nc3N)CCO2)cc1 ZINC001168619980 1069459312 /nfs/dbraw/zinc/45/93/12/1069459312.db2.gz XGALLLGMATUJSP-OGCZYDBJSA-N 1 0 456.503 0.884 20 0 JCADRO COc1ccc([C@H]2C[C@@H](n3c4c(ncn4[C@H]4C[C@H]([NH3+])[C@@H](CO)O4)c(=O)nc3N)CCO2)cc1 ZINC001168619981 1069459405 /nfs/dbraw/zinc/45/94/05/1069459405.db2.gz XGALLLGMATUJSP-PFPDTZPXSA-N 1 0 456.503 0.884 20 0 JCADRO COc1ccc([C@@H]2C[C@H](n3c4c(ncn4[C@H]4C[C@H]([NH3+])[C@@H](CO)O4)c(=O)nc3N)CCO2)cc1 ZINC001168619982 1069459217 /nfs/dbraw/zinc/45/92/17/1069459217.db2.gz XGALLLGMATUJSP-PLLDYVMSSA-N 1 0 456.503 0.884 20 0 JCADRO COc1ccc([C@H]2C[C@H](n3c4c(ncn4[C@H]4C[C@H]([NH3+])[C@@H](CO)O4)c(=O)nc3N)CCO2)cc1 ZINC001168619983 1069459301 /nfs/dbraw/zinc/45/93/01/1069459301.db2.gz XGALLLGMATUJSP-REEYDVFISA-N 1 0 456.503 0.884 20 0 JCADRO COc1ccc([C@H]2C[C@@H]([NH2+][C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CO)C(N)=O)CCO2)cc1 ZINC001168629470 1069461938 /nfs/dbraw/zinc/46/19/38/1069461938.db2.gz JDRRBSUUKRAGEW-AGOPTVSRSA-N 1 0 457.527 0.784 20 0 JCADRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CO)C(N)=O)CCO2)cc1 ZINC001168629474 1069461643 /nfs/dbraw/zinc/46/16/43/1069461643.db2.gz JDRRBSUUKRAGEW-KDXIVRHGSA-N 1 0 457.527 0.784 20 0 JCADRO COc1ccc([C@@H]2C[C@H]([NH2+][C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CO)C(N)=O)CCO2)cc1 ZINC001168629476 1069461686 /nfs/dbraw/zinc/46/16/86/1069461686.db2.gz JDRRBSUUKRAGEW-MNAPGUCWSA-N 1 0 457.527 0.784 20 0 JCADRO COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CO)C(N)=O)CCO2)cc1 ZINC001168629478 1069461969 /nfs/dbraw/zinc/46/19/69/1069461969.db2.gz JDRRBSUUKRAGEW-MQGJPIDWSA-N 1 0 457.527 0.784 20 0 JCADRO COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)CCO2)cc1 ZINC001168629989 1069461843 /nfs/dbraw/zinc/46/18/43/1069461843.db2.gz MUHHOOSPVMORCF-CQOCVSQPSA-N 1 0 498.580 0.928 20 0 JCADRO COc1ccc([C@H]2C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)CCO2)cc1 ZINC001168629990 1069461697 /nfs/dbraw/zinc/46/16/97/1069461697.db2.gz MUHHOOSPVMORCF-GJYWDZNJSA-N 1 0 498.580 0.928 20 0 JCADRO COc1ccc([C@@H]2C[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)CCO2)cc1 ZINC001168629991 1069461892 /nfs/dbraw/zinc/46/18/92/1069461892.db2.gz MUHHOOSPVMORCF-IHJXWSBQSA-N 1 0 498.580 0.928 20 0 JCADRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)CCO2)cc1 ZINC001168629992 1069461943 /nfs/dbraw/zinc/46/19/43/1069461943.db2.gz MUHHOOSPVMORCF-IUEYZOOKSA-N 1 0 498.580 0.928 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)[C@H]3C)CC2)cc1OC 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1069488095 /nfs/dbraw/zinc/48/80/95/1069488095.db2.gz XDCZLHUHSVWOIS-OAHLLOKOSA-N 1 0 452.577 0.535 20 0 JCADRO C[C@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168714908 1069516618 /nfs/dbraw/zinc/51/66/18/1069516618.db2.gz DSXXCSNXJDZFNC-OWZDWXTDSA-N 1 0 458.946 0.820 20 0 JCADRO C[C@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168714909 1069516812 /nfs/dbraw/zinc/51/68/12/1069516812.db2.gz DSXXCSNXJDZFNC-RISOHXOYSA-N 1 0 458.946 0.820 20 0 JCADRO CNC(=O)Nc1ccc(-c2nc(NC(=N)N3CC[NH+](C)CC3)nc(N3CCOCC3)n2)cc1 ZINC001168735115 1069535818 /nfs/dbraw/zinc/53/58/18/1069535818.db2.gz IUXIHAQKLKDNMG-UHFFFAOYSA-N 1 0 454.539 0.721 20 0 JCADRO CCOC(=O)c1cc2c(ncnc2NC(=N)N2CC[NH+](C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001168735464 1069537248 /nfs/dbraw/zinc/53/72/48/1069537248.db2.gz QCGKJWRSTOFMTA-UHFFFAOYSA-N 1 0 471.543 0.861 20 0 JCADRO NCc1ncn(-c2nc3cc(C[NH+]4CCC(N5CCOC5=O)CC4)sc3c(N3CCOCC3)n2)n1 ZINC001168750978 1069559404 /nfs/dbraw/zinc/55/94/04/1069559404.db2.gz WDERYTQKFGSXCN-UHFFFAOYSA-N 1 0 499.601 0.984 20 0 JCADRO COC(=O)C1(C)CCC(n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001168758190 1069572415 /nfs/dbraw/zinc/57/24/15/1069572415.db2.gz FDXAEXQSEYYNCA-HVPFBLEYSA-N 1 0 478.550 0.970 20 0 JCADRO CC(=O)OC[C@H]1O[C@@H](n2cc(NCC(C)(C)C[NH+](C)C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001168769385 1069861688 /nfs/dbraw/zinc/86/16/88/1069861688.db2.gz QJMOEZVDXWJWTI-SOAMZJECSA-N 1 0 498.533 0.273 20 0 JCADRO COC(=O)C1(C)CCC([NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1 ZINC001168770219 1069861833 /nfs/dbraw/zinc/86/18/33/1069861833.db2.gz BWQJOXHRUIPLDP-JBLFJGJOSA-N 1 0 472.652 0.952 20 0 JCADRO COC(=O)C1(C)CCC([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001168772186 1069863052 /nfs/dbraw/zinc/86/30/52/1069863052.db2.gz FUZIBEPQKWEYKK-LJRHVKPKSA-N 1 0 462.547 0.121 20 0 JCADRO COC(=O)C1(C)CCC(n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CC1 ZINC001168772717 1069864178 /nfs/dbraw/zinc/86/41/78/1069864178.db2.gz NRYYCUBKLBPPPX-VXEBSTKISA-N 1 0 471.558 0.966 20 0 JCADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001168791385 1069930790 /nfs/dbraw/zinc/93/07/90/1069930790.db2.gz JFJFUCAKLWPKBY-NRFANRHFSA-N 1 0 450.561 0.648 20 0 JCADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001168791386 1069930854 /nfs/dbraw/zinc/93/08/54/1069930854.db2.gz JFJFUCAKLWPKBY-OAQYLSRUSA-N 1 0 450.561 0.648 20 0 JCADRO NS(=O)(=O)c1c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc(I)c1-c1nn[nH]n1 ZINC001168816139 1069933532 /nfs/dbraw/zinc/93/35/32/1069933532.db2.gz NWLGQQYTYSPUPR-MRVPVSSYSA-N 1 0 486.299 0.120 20 0 JCADRO NS(=O)(=O)c1c(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc(I)c1-c1nn[nH]n1 ZINC001168816140 1069933403 /nfs/dbraw/zinc/93/34/03/1069933403.db2.gz NWLGQQYTYSPUPR-QMMMGPOBSA-N 1 0 486.299 0.120 20 0 JCADRO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CN1C(=O)OC(C)(C)C 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NS(=O)(=O)c1c(-n2cnc3ccc(C[NH3+])cc32)ccc(I)c1-c1nn[nH]n1 ZINC001168842589 1069934094 /nfs/dbraw/zinc/93/40/94/1069934094.db2.gz YQDZLAUZFKMGCD-UHFFFAOYSA-N 1 0 496.294 0.916 20 0 JCADRO C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001168845735 1069935611 /nfs/dbraw/zinc/93/56/11/1069935611.db2.gz NKXVPYGPXJEGLE-DHXZDTOLSA-N 1 0 450.536 0.253 20 0 JCADRO C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001168845736 1069935444 /nfs/dbraw/zinc/93/54/44/1069935444.db2.gz NKXVPYGPXJEGLE-IKICRFKJSA-N 1 0 450.536 0.253 20 0 JCADRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001168845737 1069935420 /nfs/dbraw/zinc/93/54/20/1069935420.db2.gz NKXVPYGPXJEGLE-KCMWZYNZSA-N 1 0 450.536 0.253 20 0 JCADRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001168845738 1069935298 /nfs/dbraw/zinc/93/52/98/1069935298.db2.gz NKXVPYGPXJEGLE-WCZJQEMASA-N 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KNVLPFFZWVMNBF-GOSISDBHSA-N 1 0 455.577 0.631 20 0 JCADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 ZINC001169031186 1069941567 /nfs/dbraw/zinc/94/15/67/1069941567.db2.gz KNVLPFFZWVMNBF-SFHVURJKSA-N 1 0 455.577 0.631 20 0 JCADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 ZINC001169031459 1069941675 /nfs/dbraw/zinc/94/16/75/1069941675.db2.gz WTHXYVWLVLMBFR-KRWDZBQOSA-N 1 0 459.996 0.788 20 0 JCADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 ZINC001169031460 1069941788 /nfs/dbraw/zinc/94/17/88/1069941788.db2.gz WTHXYVWLVLMBFR-QGZVFWFLSA-N 1 0 459.996 0.788 20 0 JCADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C)(CO)CC3)CC2)c1 ZINC001169033691 1069941529 /nfs/dbraw/zinc/94/15/29/1069941529.db2.gz SJKWNEDLLCQXTL-UHFFFAOYSA-N 1 0 455.577 0.631 20 0 JCADRO CCOC(=O)[C@H](Nc1ccc(N2CC[NH2+][C@@H](C)C2)nn1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169039294 1069941641 /nfs/dbraw/zinc/94/16/41/1069941641.db2.gz PUNKZGGLELYSCP-KPOBHBOGSA-N 1 0 463.560 0.755 20 0 JCADRO CCOC(=O)[C@H](Nc1ccc(N2CC[NH2+][C@H](C)C2)nn1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169039296 1069941624 /nfs/dbraw/zinc/94/16/24/1069941624.db2.gz PUNKZGGLELYSCP-XMCHAPAWSA-N 1 0 463.560 0.755 20 0 JCADRO CCOC(=O)[C@H](Nc1ncnc(C2C[NH2+]C2)c1OC)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169040512 1069942530 /nfs/dbraw/zinc/94/25/30/1069942530.db2.gz DWLOVTUGQDDJOF-SJORKVTESA-N 1 0 450.517 0.653 20 0 JCADRO CCOC(=O)[C@H](Nc1ccnc(N2CCC([NH3+])CC2)n1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169040713 1069942478 /nfs/dbraw/zinc/94/24/78/1069942478.db2.gz KBYZCXCHQXJXIE-MOPGFXCFSA-N 1 0 463.560 0.885 20 0 JCADRO CCOC(=O)[C@H](Nc1cncc(N2CCC([NH3+])CC2)n1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169041360 1069942302 /nfs/dbraw/zinc/94/23/02/1069942302.db2.gz QJTUHRHNUGAARH-UXHICEINSA-N 1 0 463.560 0.885 20 0 JCADRO CCOC(=O)[C@H](Nc1cnc(O[C@H]2CC[NH2+]C2)nc1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169042958 1069943163 /nfs/dbraw/zinc/94/31/63/1069943163.db2.gz FKUBEBBFXMNZOZ-JQHSSLGASA-N 1 0 450.517 0.698 20 0 JCADRO CCOC(=O)[C@H](Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169042960 1069943357 /nfs/dbraw/zinc/94/33/57/1069943357.db2.gz FKUBEBBFXMNZOZ-NXHRZFHOSA-N 1 0 450.517 0.698 20 0 JCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@H]3C(N)=O)CC2)cc1 ZINC001169045243 1069943179 /nfs/dbraw/zinc/94/31/79/1069943179.db2.gz QBQGFASRMGQIRA-MOPGFXCFSA-N 1 0 450.561 0.356 20 0 JCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC001169045245 1069943306 /nfs/dbraw/zinc/94/33/06/1069943306.db2.gz QBQGFASRMGQIRA-OALUTQOASA-N 1 0 450.561 0.356 20 0 JCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC001169045247 1069943344 /nfs/dbraw/zinc/94/33/44/1069943344.db2.gz QBQGFASRMGQIRA-RBUKOAKNSA-N 1 0 450.561 0.356 20 0 JCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3C(N)=O)CC2)cc1 ZINC001169045249 1069944049 /nfs/dbraw/zinc/94/40/49/1069944049.db2.gz QBQGFASRMGQIRA-RTBURBONSA-N 1 0 450.561 0.356 20 0 JCADRO CC(C)C[C@@H](Cc1ccccc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001169070049 1069944780 /nfs/dbraw/zinc/94/47/80/1069944780.db2.gz NOMNAWOMAHOZND-VABKMULXSA-N 1 0 499.660 0.798 20 0 JCADRO CC(C)C[C@H](Cc1ccccc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001169070150 1069944753 /nfs/dbraw/zinc/94/47/53/1069944753.db2.gz NOMNAWOMAHOZND-VJBWXMMDSA-N 1 0 499.660 0.798 20 0 JCADRO CNC(=O)N[C@@H]1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001169078988 1069945083 /nfs/dbraw/zinc/94/50/83/1069945083.db2.gz MVWOOPSJNFGSAE-GOSISDBHSA-N 1 0 453.565 0.274 20 0 JCADRO CNC(=O)N[C@H]1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC001169078989 1069944838 /nfs/dbraw/zinc/94/48/38/1069944838.db2.gz MVWOOPSJNFGSAE-SFHVURJKSA-N 1 0 453.565 0.274 20 0 JCADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169108860 1069946947 /nfs/dbraw/zinc/94/69/47/1069946947.db2.gz DGRXHGUAUKVSTN-ANIZBGBVSA-N 1 0 484.553 0.956 20 0 JCADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169108861 1069947126 /nfs/dbraw/zinc/94/71/26/1069947126.db2.gz DGRXHGUAUKVSTN-FQKNAOEZSA-N 1 0 484.553 0.956 20 0 JCADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001169109165 1069947109 /nfs/dbraw/zinc/94/71/09/1069947109.db2.gz ZFTRFPQLUKDVDQ-CSHDGZMQSA-N 1 0 470.519 0.284 20 0 JCADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001169109166 1069947056 /nfs/dbraw/zinc/94/70/56/1069947056.db2.gz ZFTRFPQLUKDVDQ-WXFIGONDSA-N 1 0 470.519 0.284 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)cc1OC ZINC001169125713 1069945888 /nfs/dbraw/zinc/94/58/88/1069945888.db2.gz UVCAGGNEMPOBEM-DLBZAZTESA-N 1 0 455.577 0.941 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)[C@@H]3CCCOC3)CC2)cc1OC ZINC001169125714 1069946214 /nfs/dbraw/zinc/94/62/14/1069946214.db2.gz UVCAGGNEMPOBEM-IAGOWNOFSA-N 1 0 455.577 0.941 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)[C@H]3CCCOC3)CC2)cc1OC ZINC001169125715 1069946064 /nfs/dbraw/zinc/94/60/64/1069946064.db2.gz UVCAGGNEMPOBEM-IRXDYDNUSA-N 1 0 455.577 0.941 20 0 JCADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)[C@H]3CCCOC3)CC2)cc1OC ZINC001169125716 1069945880 /nfs/dbraw/zinc/94/58/80/1069945880.db2.gz UVCAGGNEMPOBEM-SJORKVTESA-N 1 0 455.577 0.941 20 0 JCADRO COC(=O)c1cc(N[C@H]2CN[C@H](C(=O)OC)C2)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001169129056 1069946098 /nfs/dbraw/zinc/94/60/98/1069946098.db2.gz JHIYUDVSGTZPRJ-ZBFHGGJFSA-N 1 0 457.491 0.176 20 0 JCADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cn1 ZINC001169160344 1069946895 /nfs/dbraw/zinc/94/68/95/1069946895.db2.gz CTSGOQWASKCAFZ-HNNXBMFYSA-N 1 0 462.576 0.971 20 0 JCADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cn1 ZINC001169160345 1069947049 /nfs/dbraw/zinc/94/70/49/1069947049.db2.gz CTSGOQWASKCAFZ-OAHLLOKOSA-N 1 0 462.576 0.971 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001169161254 1069947896 /nfs/dbraw/zinc/94/78/96/1069947896.db2.gz AHGAHKCGUSLZGL-INIZCTEOSA-N 1 0 478.594 0.954 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001169161255 1069947777 /nfs/dbraw/zinc/94/77/77/1069947777.db2.gz AHGAHKCGUSLZGL-MRXNPFEDSA-N 1 0 478.594 0.954 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001169162408 1069947747 /nfs/dbraw/zinc/94/77/47/1069947747.db2.gz MMVDTLHGGODFHB-IXDOHACOSA-N 1 0 478.594 0.810 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001169162409 1069947825 /nfs/dbraw/zinc/94/78/25/1069947825.db2.gz MMVDTLHGGODFHB-YESZJQIVSA-N 1 0 478.594 0.810 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC001169163472 1069947802 /nfs/dbraw/zinc/94/78/02/1069947802.db2.gz ZTQALOLISWACCB-HNNXBMFYSA-N 1 0 462.576 0.472 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC001169163480 1069947901 /nfs/dbraw/zinc/94/79/01/1069947901.db2.gz ZTQALOLISWACCB-OAHLLOKOSA-N 1 0 462.576 0.472 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001169163589 1069947893 /nfs/dbraw/zinc/94/78/93/1069947893.db2.gz RKCPNHROIBBVME-ARFHVFGLSA-N 1 0 464.567 0.562 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001169163592 1069947768 /nfs/dbraw/zinc/94/77/68/1069947768.db2.gz RKCPNHROIBBVME-BZUAXINKSA-N 1 0 464.567 0.562 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001169163595 1069947833 /nfs/dbraw/zinc/94/78/33/1069947833.db2.gz RKCPNHROIBBVME-OAGGEKHMSA-N 1 0 464.567 0.562 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001169163599 1069947701 /nfs/dbraw/zinc/94/77/01/1069947701.db2.gz RKCPNHROIBBVME-OWCLPIDISA-N 1 0 464.567 0.562 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001169163603 1069947662 /nfs/dbraw/zinc/94/76/62/1069947662.db2.gz RKCPNHROIBBVME-PMPSAXMXSA-N 1 0 464.567 0.562 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001169163694 1069948619 /nfs/dbraw/zinc/94/86/19/1069948619.db2.gz RYTXGTVNZUBZJJ-HNNXBMFYSA-N 1 0 464.567 0.564 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001169163695 1069948452 /nfs/dbraw/zinc/94/84/52/1069948452.db2.gz RYTXGTVNZUBZJJ-OAHLLOKOSA-N 1 0 464.567 0.564 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C ZINC001169163954 1069948572 /nfs/dbraw/zinc/94/85/72/1069948572.db2.gz TXSMUTVCCMFWOM-OAGGEKHMSA-N 1 0 464.567 0.874 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C ZINC001169163955 1069948629 /nfs/dbraw/zinc/94/86/29/1069948629.db2.gz TXSMUTVCCMFWOM-XHSDSOJGSA-N 1 0 464.567 0.874 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001169164550 1069948532 /nfs/dbraw/zinc/94/85/32/1069948532.db2.gz VVGDKNANZDMDSP-AEFFLSMTSA-N 1 0 493.572 0.835 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001169164556 1069948478 /nfs/dbraw/zinc/94/84/78/1069948478.db2.gz VVGDKNANZDMDSP-FUHWJXTLSA-N 1 0 493.572 0.835 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001169164559 1069948549 /nfs/dbraw/zinc/94/85/49/1069948549.db2.gz VVGDKNANZDMDSP-SJLPKXTDSA-N 1 0 493.572 0.835 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001169164560 1069948650 /nfs/dbraw/zinc/94/86/50/1069948650.db2.gz VVGDKNANZDMDSP-WMZOPIPTSA-N 1 0 493.572 0.835 20 0 JCADRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169164915 1069948404 /nfs/dbraw/zinc/94/84/04/1069948404.db2.gz XFXBFDVIIPFACT-HKUYNNGSSA-N 1 0 484.601 0.948 20 0 JCADRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169164919 1069948322 /nfs/dbraw/zinc/94/83/22/1069948322.db2.gz XFXBFDVIIPFACT-IEBWSBKVSA-N 1 0 484.601 0.948 20 0 JCADRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169164922 1069948639 /nfs/dbraw/zinc/94/86/39/1069948639.db2.gz XFXBFDVIIPFACT-MJGOQNOKSA-N 1 0 484.601 0.948 20 0 JCADRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169164925 1069948561 /nfs/dbraw/zinc/94/85/61/1069948561.db2.gz XFXBFDVIIPFACT-PKOBYXMFSA-N 1 0 484.601 0.948 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O ZINC001169165393 1069948355 /nfs/dbraw/zinc/94/83/55/1069948355.db2.gz ZXKDHRLXFGZCFX-BRWVUGGUSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O ZINC001169165396 1069948593 /nfs/dbraw/zinc/94/85/93/1069948593.db2.gz ZXKDHRLXFGZCFX-GVDBMIGSSA-N 1 0 478.594 0.952 20 0 JCADRO COC(=O)[C@H](O)[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 ZINC001169167493 1069948509 /nfs/dbraw/zinc/94/85/09/1069948509.db2.gz HQSMTNLUNDXEBP-HHXXYDBFSA-N 1 0 457.531 0.857 20 0 JCADRO COC(=O)[C@H](O)[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 ZINC001169167494 1069948609 /nfs/dbraw/zinc/94/86/09/1069948609.db2.gz HQSMTNLUNDXEBP-VDZJLULYSA-N 1 0 457.531 0.857 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001169169217 1069961627 /nfs/dbraw/zinc/96/16/27/1069961627.db2.gz PMHBKVULFRHVIF-HNNXBMFYSA-N 1 0 462.576 0.917 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001169169234 1069961275 /nfs/dbraw/zinc/96/12/75/1069961275.db2.gz PMHBKVULFRHVIF-OAHLLOKOSA-N 1 0 462.576 0.917 20 0 JCADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169169982 1069961471 /nfs/dbraw/zinc/96/14/71/1069961471.db2.gz RPJVTAIIOILTGG-HNNXBMFYSA-N 1 0 454.597 0.396 20 0 JCADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169169983 1069961250 /nfs/dbraw/zinc/96/12/50/1069961250.db2.gz RPJVTAIIOILTGG-OAHLLOKOSA-N 1 0 454.597 0.396 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1 ZINC001169170280 1069961618 /nfs/dbraw/zinc/96/16/18/1069961618.db2.gz UBVCJOAKBPHSDM-KRWDZBQOSA-N 1 0 475.594 0.499 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCN(C(=O)N2CCOCC2)CC1 ZINC001169170281 1069961636 /nfs/dbraw/zinc/96/16/36/1069961636.db2.gz UBVCJOAKBPHSDM-QGZVFWFLSA-N 1 0 475.594 0.499 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001169170344 1069961481 /nfs/dbraw/zinc/96/14/81/1069961481.db2.gz VIMWBRDEVWZABC-HNNXBMFYSA-N 1 0 462.576 0.917 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001169170345 1069961449 /nfs/dbraw/zinc/96/14/49/1069961449.db2.gz VIMWBRDEVWZABC-OAHLLOKOSA-N 1 0 462.576 0.917 20 0 JCADRO COC[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)NCc1ccccc1 ZINC001169170622 1069961302 /nfs/dbraw/zinc/96/13/02/1069961302.db2.gz YTOYVFHQMZNCAU-IEBWSBKVSA-N 1 0 470.574 0.914 20 0 JCADRO COC[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)NCc1ccccc1 ZINC001169170623 1069962368 /nfs/dbraw/zinc/96/23/68/1069962368.db2.gz YTOYVFHQMZNCAU-PKOBYXMFSA-N 1 0 470.574 0.914 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCS(=O)(=O)N1CCCCC1 ZINC001169170668 1069962430 /nfs/dbraw/zinc/96/24/30/1069962430.db2.gz ZSTPFYLRIDVSAD-INIZCTEOSA-N 1 0 454.597 0.398 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCS(=O)(=O)N1CCCCC1 ZINC001169170669 1069962236 /nfs/dbraw/zinc/96/22/36/1069962236.db2.gz ZSTPFYLRIDVSAD-MRXNPFEDSA-N 1 0 454.597 0.398 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(=O)NCC(=O)OCc1ccccc1 ZINC001169171263 1069962389 /nfs/dbraw/zinc/96/23/89/1069962389.db2.gz DVFUBICXJOUSQK-KRWDZBQOSA-N 1 0 484.557 0.442 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(=O)NCC(=O)OCc1ccccc1 ZINC001169171264 1069962418 /nfs/dbraw/zinc/96/24/18/1069962418.db2.gz DVFUBICXJOUSQK-QGZVFWFLSA-N 1 0 484.557 0.442 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccnc1N(C)S(C)(=O)=O ZINC001169171954 1069962411 /nfs/dbraw/zinc/96/24/11/1069962411.db2.gz INQNNCHQCSJHRL-HNNXBMFYSA-N 1 0 477.591 0.573 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cccnc1N(C)S(C)(=O)=O ZINC001169171955 1069962381 /nfs/dbraw/zinc/96/23/81/1069962381.db2.gz INQNNCHQCSJHRL-OAHLLOKOSA-N 1 0 477.591 0.573 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001169172128 1069962333 /nfs/dbraw/zinc/96/23/33/1069962333.db2.gz KDQNOIVZLCDHIT-BBWFWOEESA-N 1 0 478.594 0.952 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001169172129 1069962341 /nfs/dbraw/zinc/96/23/41/1069962341.db2.gz KDQNOIVZLCDHIT-ZACQAIPSSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001169172136 1069962300 /nfs/dbraw/zinc/96/23/00/1069962300.db2.gz KNWSZWGWZPQFPS-HJPURHCSSA-N 1 0 478.594 0.954 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001169172137 1069962354 /nfs/dbraw/zinc/96/23/54/1069962354.db2.gz KNWSZWGWZPQFPS-MWTRTKDXSA-N 1 0 478.594 0.954 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001169172138 1069962225 /nfs/dbraw/zinc/96/22/25/1069962225.db2.gz KNWSZWGWZPQFPS-QMHKHESXSA-N 1 0 478.594 0.954 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001169172139 1069962182 /nfs/dbraw/zinc/96/21/82/1069962182.db2.gz KNWSZWGWZPQFPS-WAIKUNEKSA-N 1 0 478.594 0.954 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001169172614 1069962289 /nfs/dbraw/zinc/96/22/89/1069962289.db2.gz RKCPNHROIBBVME-HRCADAONSA-N 1 0 464.567 0.562 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC001169172855 1069962956 /nfs/dbraw/zinc/96/29/56/1069962956.db2.gz WCQVXRAONIMJBJ-HRCADAONSA-N 1 0 463.583 0.529 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC001169172856 1069962795 /nfs/dbraw/zinc/96/27/95/1069962795.db2.gz WCQVXRAONIMJBJ-OWCLPIDISA-N 1 0 463.583 0.529 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O ZINC001169172999 1069963056 /nfs/dbraw/zinc/96/30/56/1069963056.db2.gz BDILXAKUFOQHQN-CABCVRRESA-N 1 0 464.567 0.558 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O ZINC001169173000 1069962990 /nfs/dbraw/zinc/96/29/90/1069962990.db2.gz BDILXAKUFOQHQN-GJZGRUSLSA-N 1 0 464.567 0.558 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC001169173033 1069963092 /nfs/dbraw/zinc/96/30/92/1069963092.db2.gz XWXUXEJWSNGHII-BBWFWOEESA-N 1 0 478.594 0.952 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC001169173034 1069962765 /nfs/dbraw/zinc/96/27/65/1069962765.db2.gz XWXUXEJWSNGHII-ZACQAIPSSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12 ZINC001169173085 1069963066 /nfs/dbraw/zinc/96/30/66/1069963066.db2.gz YUMZOHRJPXMNFR-JZFYCYHFSA-N 1 0 479.578 0.252 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12 ZINC001169173086 1069962745 /nfs/dbraw/zinc/96/27/45/1069962745.db2.gz YUMZOHRJPXMNFR-RFXPCRSYSA-N 1 0 479.578 0.252 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](CC(=O)OCc1ccccc1)C(N)=O ZINC001169173185 1069962852 /nfs/dbraw/zinc/96/28/52/1069962852.db2.gz ZJDUOGZZKPHABJ-AEFFLSMTSA-N 1 0 484.557 0.570 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](CC(=O)OCc1ccccc1)C(N)=O ZINC001169173186 1069963124 /nfs/dbraw/zinc/96/31/24/1069963124.db2.gz ZJDUOGZZKPHABJ-WMZOPIPTSA-N 1 0 484.557 0.570 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC001169175093 1069963076 /nfs/dbraw/zinc/96/30/76/1069963076.db2.gz KMBXFKLJIHUNTB-INIZCTEOSA-N 1 0 456.551 0.409 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC001169175094 1069963033 /nfs/dbraw/zinc/96/30/33/1069963033.db2.gz KMBXFKLJIHUNTB-MRXNPFEDSA-N 1 0 456.551 0.409 20 0 JCADRO COC(=O)[C@H](C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=O)OC(C)(C)C ZINC001169175126 1069962819 /nfs/dbraw/zinc/96/28/19/1069962819.db2.gz KWRAJWVUCMBTLD-CABCVRRESA-N 1 0 480.566 0.648 20 0 JCADRO COC(=O)[C@H](C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=O)OC(C)(C)C ZINC001169175132 1069963106 /nfs/dbraw/zinc/96/31/06/1069963106.db2.gz KWRAJWVUCMBTLD-GJZGRUSLSA-N 1 0 480.566 0.648 20 0 JCADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169175912 1069963829 /nfs/dbraw/zinc/96/38/29/1069963829.db2.gz MDXRLGYTSUUWHQ-INIZCTEOSA-N 1 0 468.624 0.785 20 0 JCADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169175917 1069963643 /nfs/dbraw/zinc/96/36/43/1069963643.db2.gz MDXRLGYTSUUWHQ-MRXNPFEDSA-N 1 0 468.624 0.785 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC001169178458 1069963941 /nfs/dbraw/zinc/96/39/41/1069963941.db2.gz XWXUXEJWSNGHII-BRWVUGGUSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1C[C@H](CO)N(C(=O)OC(C)(C)C)C1 ZINC001169178459 1069963608 /nfs/dbraw/zinc/96/36/08/1069963608.db2.gz XWXUXEJWSNGHII-GVDBMIGSSA-N 1 0 478.594 0.952 20 0 JCADRO Cc1cc(N(C)C)nc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)n1 ZINC001169180154 1069963662 /nfs/dbraw/zinc/96/36/62/1069963662.db2.gz BRCNHWXJUGDPMG-UHFFFAOYSA-N 1 0 472.626 0.924 20 0 JCADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1ncnc2c1COC2)S(N)(=O)=O ZINC001169180169 1069963844 /nfs/dbraw/zinc/96/38/44/1069963844.db2.gz BYYWGMFUSZZNLK-UHFFFAOYSA-N 1 0 457.567 0.579 20 0 JCADRO COCc1nccnc1N(C(=N)CCSCc1csc(NC(N)=[NH2+])n1)S(N)(=O)=O ZINC001169180188 1069963873 /nfs/dbraw/zinc/96/38/73/1069963873.db2.gz CDGNMHBBIVGPQZ-UHFFFAOYSA-N 1 0 459.583 0.696 20 0 JCADRO COC(=O)Cc1ccc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)nc1 ZINC001169180237 1069963791 /nfs/dbraw/zinc/96/37/91/1069963791.db2.gz CZKSOBDDCSHBRY-UHFFFAOYSA-N 1 0 486.605 0.870 20 0 JCADRO CN(C)c1cnc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)cn1 ZINC001169180272 1069964000 /nfs/dbraw/zinc/96/40/00/1069964000.db2.gz FEBCFKVSKHYXPE-UHFFFAOYSA-N 1 0 458.599 0.615 20 0 JCADRO COC(=O)c1cnc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)c(C)n1 ZINC001169180287 1069963722 /nfs/dbraw/zinc/96/37/22/1069963722.db2.gz FOUNVVVCUGDLQR-UHFFFAOYSA-N 1 0 487.593 0.644 20 0 JCADRO CS(=O)(=O)c1ccnc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)c1 ZINC001169180350 1069963505 /nfs/dbraw/zinc/96/35/05/1069963505.db2.gz FXXYJIGDERBISM-UHFFFAOYSA-N 1 0 492.634 0.558 20 0 JCADRO COC(=O)Cc1ccnc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)n1 ZINC001169180362 1069964788 /nfs/dbraw/zinc/96/47/88/1069964788.db2.gz GIBOVKMDXQBYDW-UHFFFAOYSA-N 1 0 487.593 0.265 20 0 JCADRO COCc1cnc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)nc1 ZINC001169180376 1069964733 /nfs/dbraw/zinc/96/47/33/1069964733.db2.gz 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JCADRO Cc1cc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)cn(C)c1=O ZINC001169182443 1069967775 /nfs/dbraw/zinc/96/77/75/1069967775.db2.gz VBYBXHPYBQQWAS-UHFFFAOYSA-N 1 0 458.595 0.766 20 0 JCADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1ccnn(CC2CC2)c1=O)S(N)(=O)=O ZINC001169182470 1069967851 /nfs/dbraw/zinc/96/78/51/1069967851.db2.gz WNFBKMJUGPSYPH-UHFFFAOYSA-N 1 0 485.621 0.726 20 0 JCADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1cn2ccnc2cn1)S(N)(=O)=O ZINC001169182480 1069967952 /nfs/dbraw/zinc/96/79/52/1069967952.db2.gz XBABZVFURMNCNK-UHFFFAOYSA-N 1 0 454.567 0.802 20 0 JCADRO CC(C)n1cc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)ncc1=O ZINC001169182483 1069968105 /nfs/dbraw/zinc/96/81/05/1069968105.db2.gz XDEBHMSDPRDLOS-UHFFFAOYSA-N 1 0 473.610 0.897 20 0 JCADRO CCOC(=O)c1ncncc1N(C(=N)CCSCc1csc(NC(N)=[NH2+])n1)S(N)(=O)=O ZINC001169182506 1069968166 /nfs/dbraw/zinc/96/81/66/1069968166.db2.gz XVLMKIOAEXVDGS-UHFFFAOYSA-N 1 0 487.593 0.726 20 0 JCADRO CC(C)Cn1cc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)ncc1=O ZINC001169182526 1069968005 /nfs/dbraw/zinc/96/80/05/1069968005.db2.gz YHHWLIKPKJOYGA-UHFFFAOYSA-N 1 0 487.637 0.972 20 0 JCADRO C[S@@](=O)c1ncc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)cn1 ZINC001169182583 1069967807 /nfs/dbraw/zinc/96/78/07/1069967807.db2.gz ZNYLQINGSKDRFO-MUUNZHRXSA-N 1 0 477.623 0.287 20 0 JCADRO C[S@](=O)c1ncc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)cn1 ZINC001169182589 1069968126 /nfs/dbraw/zinc/96/81/26/1069968126.db2.gz ZNYLQINGSKDRFO-NDEPHWFRSA-N 1 0 477.623 0.287 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1N ZINC001169182662 1069967922 /nfs/dbraw/zinc/96/79/22/1069967922.db2.gz YWXCKQJIBLDGND-HOJAQTOUSA-N 1 0 453.591 0.794 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1N ZINC001169182667 1069968877 /nfs/dbraw/zinc/96/88/77/1069968877.db2.gz YWXCKQJIBLDGND-IHPCNDPISA-N 1 0 453.591 0.794 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN(CCO)C(=O)OC(C)(C)C ZINC001169182927 1069968849 /nfs/dbraw/zinc/96/88/49/1069968849.db2.gz FPFSTDKUEHKTKL-INIZCTEOSA-N 1 0 466.583 0.812 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN(CCO)C(=O)OC(C)(C)C ZINC001169182929 1069968753 /nfs/dbraw/zinc/96/87/53/1069968753.db2.gz FPFSTDKUEHKTKL-MRXNPFEDSA-N 1 0 466.583 0.812 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001169183025 1069968665 /nfs/dbraw/zinc/96/86/65/1069968665.db2.gz GRTFWIKACPFYSA-FUHWJXTLSA-N 1 0 453.547 0.892 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001169183026 1069968936 /nfs/dbraw/zinc/96/89/36/1069968936.db2.gz GRTFWIKACPFYSA-SJLPKXTDSA-N 1 0 453.547 0.892 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCN(C(=O)C2CCOCC2)CC1 ZINC001169183423 1069968871 /nfs/dbraw/zinc/96/88/71/1069968871.db2.gz JUDNUZCQKANJOA-KRWDZBQOSA-N 1 0 474.606 1.000 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCN(C(=O)C2CCOCC2)CC1 ZINC001169183426 1069968800 /nfs/dbraw/zinc/96/88/00/1069968800.db2.gz JUDNUZCQKANJOA-QGZVFWFLSA-N 1 0 474.606 1.000 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001169183633 1069968818 /nfs/dbraw/zinc/96/88/18/1069968818.db2.gz LCFSDDYKAYCTEY-BRWVUGGUSA-N 1 0 478.594 0.810 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001169183634 1069968786 /nfs/dbraw/zinc/96/87/86/1069968786.db2.gz LCFSDDYKAYCTEY-IKGGRYGDSA-N 1 0 478.594 0.810 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001169183635 1069968895 /nfs/dbraw/zinc/96/88/95/1069968895.db2.gz LCFSDDYKAYCTEY-IXDOHACOSA-N 1 0 478.594 0.810 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001169183636 1069968914 /nfs/dbraw/zinc/96/89/14/1069968914.db2.gz LCFSDDYKAYCTEY-ZACQAIPSSA-N 1 0 478.594 0.810 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001169184009 1069968690 /nfs/dbraw/zinc/96/86/90/1069968690.db2.gz NPAJYRKRIZHBNB-AEFFLSMTSA-N 1 0 460.579 0.610 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001169184015 1069968838 /nfs/dbraw/zinc/96/88/38/1069968838.db2.gz NPAJYRKRIZHBNB-WMZOPIPTSA-N 1 0 460.579 0.610 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001169184056 1069968828 /nfs/dbraw/zinc/96/88/28/1069968828.db2.gz NSUKJNJDIHRULK-FUHWJXTLSA-N 1 0 453.547 0.892 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001169184060 1069968768 /nfs/dbraw/zinc/96/87/68/1069968768.db2.gz NSUKJNJDIHRULK-SJLPKXTDSA-N 1 0 453.547 0.892 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001169184316 1069968902 /nfs/dbraw/zinc/96/89/02/1069968902.db2.gz PDRKKDPKGJVETB-HNNXBMFYSA-N 1 0 454.597 0.254 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001169184319 1069968733 /nfs/dbraw/zinc/96/87/33/1069968733.db2.gz PDRKKDPKGJVETB-OAHLLOKOSA-N 1 0 454.597 0.254 20 0 JCADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169184345 1069968860 /nfs/dbraw/zinc/96/88/60/1069968860.db2.gz PJISUWCBELNOBC-INIZCTEOSA-N 1 0 468.624 0.644 20 0 JCADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169184348 1069969525 /nfs/dbraw/zinc/96/95/25/1069969525.db2.gz PJISUWCBELNOBC-MRXNPFEDSA-N 1 0 468.624 0.644 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001169184624 1069969326 /nfs/dbraw/zinc/96/93/26/1069969326.db2.gz RNFMRMTXUNJHNB-FUHWJXTLSA-N 1 0 460.579 0.752 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001169184625 1069969496 /nfs/dbraw/zinc/96/94/96/1069969496.db2.gz RNFMRMTXUNJHNB-SJLPKXTDSA-N 1 0 460.579 0.752 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001169184899 1069969469 /nfs/dbraw/zinc/96/94/69/1069969469.db2.gz UGQXPIKFWSPDMJ-DLBZAZTESA-N 1 0 453.547 0.892 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001169184906 1069969699 /nfs/dbraw/zinc/96/96/99/1069969699.db2.gz UGQXPIKFWSPDMJ-IAGOWNOFSA-N 1 0 453.547 0.892 20 0 JCADRO NS(=O)(=O)c1c(-n2ncc3c2cccc3C[NH3+])ccc(I)c1-c1nn[nH]n1 ZINC001169188718 1069949388 /nfs/dbraw/zinc/94/93/88/1069949388.db2.gz CSWWVXGVYXCICE-UHFFFAOYSA-N 1 0 496.294 0.916 20 0 JCADRO CNC(=O)[C@H](CCCC[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(C)=O ZINC001169189337 1069949146 /nfs/dbraw/zinc/94/91/46/1069949146.db2.gz DZNNODUAXLJDCY-RDJZCZTQSA-N 1 0 463.583 0.003 20 0 JCADRO CNC(=O)[C@H](CCCC[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(C)=O ZINC001169189344 1069949553 /nfs/dbraw/zinc/94/95/53/1069949553.db2.gz DZNNODUAXLJDCY-WBVHZDCISA-N 1 0 463.583 0.003 20 0 JCADRO COCCC1([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCS(=O)(=O)CC1 ZINC001169190293 1069949185 /nfs/dbraw/zinc/94/91/85/1069949185.db2.gz IULZQYRBCGBIMW-INIZCTEOSA-N 1 0 469.608 0.566 20 0 JCADRO COCCC1([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCS(=O)(=O)CC1 ZINC001169190294 1069949527 /nfs/dbraw/zinc/94/95/27/1069949527.db2.gz IULZQYRBCGBIMW-MRXNPFEDSA-N 1 0 469.608 0.566 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001169191985 1069949565 /nfs/dbraw/zinc/94/95/65/1069949565.db2.gz OLSZOYYFXJXYRE-BRWVUGGUSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001169191986 1069948956 /nfs/dbraw/zinc/94/89/56/1069948956.db2.gz OLSZOYYFXJXYRE-IKGGRYGDSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001169191987 1069949480 /nfs/dbraw/zinc/94/94/80/1069949480.db2.gz OLSZOYYFXJXYRE-IXDOHACOSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001169191988 1069949960 /nfs/dbraw/zinc/94/99/60/1069949960.db2.gz OLSZOYYFXJXYRE-ZACQAIPSSA-N 1 0 478.594 0.952 20 0 JCADRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169192622 1069950280 /nfs/dbraw/zinc/95/02/80/1069950280.db2.gz QLCYEUZYDVEXHS-INIZCTEOSA-N 1 0 456.547 0.907 20 0 JCADRO COc1cccc(CNC(=O)C[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169192623 1069950129 /nfs/dbraw/zinc/95/01/29/1069950129.db2.gz QLCYEUZYDVEXHS-MRXNPFEDSA-N 1 0 456.547 0.907 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O ZINC001169193574 1069950302 /nfs/dbraw/zinc/95/03/02/1069950302.db2.gz RUXAFLQGKIGOMT-KBPBESRZSA-N 1 0 450.540 0.168 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O ZINC001169193575 1069950188 /nfs/dbraw/zinc/95/01/88/1069950188.db2.gz RUXAFLQGKIGOMT-KGLIPLIRSA-N 1 0 450.540 0.168 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCN(c3ncccn3)CC2)C1 ZINC001169193809 1069950230 /nfs/dbraw/zinc/95/02/30/1069950230.db2.gz VUQLUUNSCZWJJJ-GOSISDBHSA-N 1 0 481.605 0.289 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCN(c3ncccn3)CC2)C1 ZINC001169193810 1069950291 /nfs/dbraw/zinc/95/02/91/1069950291.db2.gz VUQLUUNSCZWJJJ-SFHVURJKSA-N 1 0 481.605 0.289 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001169193917 1069950358 /nfs/dbraw/zinc/95/03/58/1069950358.db2.gz XFQSUCLSUSWRNY-DLBZAZTESA-N 1 0 478.594 0.906 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001169193918 1069950168 /nfs/dbraw/zinc/95/01/68/1069950168.db2.gz XFQSUCLSUSWRNY-IAGOWNOFSA-N 1 0 478.594 0.906 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 ZINC001169193919 1069949994 /nfs/dbraw/zinc/94/99/94/1069949994.db2.gz XFQSUCLSUSWRNY-IRXDYDNUSA-N 1 0 478.594 0.906 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 ZINC001169193920 1069950085 /nfs/dbraw/zinc/95/00/85/1069950085.db2.gz XFQSUCLSUSWRNY-SJORKVTESA-N 1 0 478.594 0.906 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC001169194177 1069950263 /nfs/dbraw/zinc/95/02/63/1069950263.db2.gz WCQVXRAONIMJBJ-JYJNAYRXSA-N 1 0 463.583 0.529 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC001169194178 1069950111 /nfs/dbraw/zinc/95/01/11/1069950111.db2.gz WCQVXRAONIMJBJ-PMPSAXMXSA-N 1 0 463.583 0.529 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O ZINC001169194431 1069951337 /nfs/dbraw/zinc/95/13/37/1069951337.db2.gz YXMULPDGCJZQIQ-MGNMYUMUSA-N 1 0 466.608 0.537 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O ZINC001169194432 1069951181 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ZINC001169202786 1069959690 /nfs/dbraw/zinc/95/96/90/1069959690.db2.gz MGPALAUBHVUXIB-XWTMOSNGSA-N 1 0 460.579 0.466 20 0 JCADRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)C[C@H]21 ZINC001169202788 1069959451 /nfs/dbraw/zinc/95/94/51/1069959451.db2.gz MGPALAUBHVUXIB-ZJPYXAASSA-N 1 0 460.579 0.466 20 0 JCADRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169202803 1069959677 /nfs/dbraw/zinc/95/96/77/1069959677.db2.gz MOWLIKPUZBGJHC-MSOLQXFVSA-N 1 0 490.605 0.379 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001169202804 1069960406 /nfs/dbraw/zinc/96/04/06/1069960406.db2.gz QVUHCOUCSMBXSC-KRWDZBQOSA-N 1 0 462.595 0.952 20 0 JCADRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169202805 1069959664 /nfs/dbraw/zinc/95/96/64/1069959664.db2.gz MOWLIKPUZBGJHC-QZTJIDSGSA-N 1 0 490.605 0.379 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001169202806 1069960640 /nfs/dbraw/zinc/96/06/40/1069960640.db2.gz QVUHCOUCSMBXSC-QGZVFWFLSA-N 1 0 462.595 0.952 20 0 JCADRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169202807 1069959553 /nfs/dbraw/zinc/95/95/53/1069959553.db2.gz MOWLIKPUZBGJHC-ROUUACIJSA-N 1 0 490.605 0.379 20 0 JCADRO CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169202809 1069960707 /nfs/dbraw/zinc/96/07/07/1069960707.db2.gz MOWLIKPUZBGJHC-ZWKOTPCHSA-N 1 0 490.605 0.379 20 0 JCADRO CC(C)NC(=O)c1nn([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c2c1C[NH2+]CC2 ZINC001169202825 1069960771 /nfs/dbraw/zinc/96/07/71/1069960771.db2.gz MUFGVLYBUBSMLZ-HNNXBMFYSA-N 1 0 470.578 0.846 20 0 JCADRO CC(C)NC(=O)c1nn([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c2c1C[NH2+]CC2 ZINC001169202827 1069960789 /nfs/dbraw/zinc/96/07/89/1069960789.db2.gz MUFGVLYBUBSMLZ-OAHLLOKOSA-N 1 0 470.578 0.846 20 0 JCADRO 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ZINC001169208324 1069973126 /nfs/dbraw/zinc/97/31/26/1069973126.db2.gz OCFQLNNBFFDHJB-HNNXBMFYSA-N 1 0 454.597 0.348 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC001169208325 1069973231 /nfs/dbraw/zinc/97/32/31/1069973231.db2.gz OCFQLNNBFFDHJB-OAHLLOKOSA-N 1 0 454.597 0.348 20 0 JCADRO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169208568 1069973075 /nfs/dbraw/zinc/97/30/75/1069973075.db2.gz OULBHUXWMWDCNV-INIZCTEOSA-N 1 0 471.562 0.924 20 0 JCADRO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC2 ZINC001169208569 1069973197 /nfs/dbraw/zinc/97/31/97/1069973197.db2.gz OULBHUXWMWDCNV-MRXNPFEDSA-N 1 0 471.562 0.924 20 0 JCADRO COc1ccnc(N2CC[NH+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)n1 ZINC001169208600 1069973445 /nfs/dbraw/zinc/97/34/45/1069973445.db2.gz PKNLKIBINTYMQG-INIZCTEOSA-N 1 0 456.551 0.613 20 0 JCADRO COc1ccnc(N2CC[NH+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)n1 ZINC001169208601 1069973328 /nfs/dbraw/zinc/97/33/28/1069973328.db2.gz PKNLKIBINTYMQG-MRXNPFEDSA-N 1 0 456.551 0.613 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC001169208638 1069973170 /nfs/dbraw/zinc/97/31/70/1069973170.db2.gz QCMPYVBQPFBZDX-INIZCTEOSA-N 1 0 468.562 0.309 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC001169208639 1069973947 /nfs/dbraw/zinc/97/39/47/1069973947.db2.gz QCMPYVBQPFBZDX-MRXNPFEDSA-N 1 0 468.562 0.309 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001169209305 1069974319 /nfs/dbraw/zinc/97/43/19/1069974319.db2.gz VEIVHZIPVNLKKB-BRWVUGGUSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001169209306 1069974091 /nfs/dbraw/zinc/97/40/91/1069974091.db2.gz VEIVHZIPVNLKKB-GVDBMIGSSA-N 1 0 478.594 0.952 20 0 JCADRO COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169209439 1069973964 /nfs/dbraw/zinc/97/39/64/1069973964.db2.gz XDJGGQKTFFMPDS-ARFHVFGLSA-N 1 0 463.535 0.277 20 0 JCADRO COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169209440 1069973976 /nfs/dbraw/zinc/97/39/76/1069973976.db2.gz XDJGGQKTFFMPDS-BZUAXINKSA-N 1 0 463.535 0.277 20 0 JCADRO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169209441 1069974201 /nfs/dbraw/zinc/97/42/01/1069974201.db2.gz XDJGGQKTFFMPDS-HRCADAONSA-N 1 0 463.535 0.277 20 0 JCADRO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169209442 1069974990 /nfs/dbraw/zinc/97/49/90/1069974990.db2.gz XDJGGQKTFFMPDS-OAGGEKHMSA-N 1 0 463.535 0.277 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CO ZINC001169210949 1069974845 /nfs/dbraw/zinc/97/48/45/1069974845.db2.gz BJRCPHAMJKJJQE-IXDOHACOSA-N 1 0 478.594 0.952 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CO ZINC001169210952 1069975137 /nfs/dbraw/zinc/97/51/37/1069975137.db2.gz BJRCPHAMJKJJQE-YESZJQIVSA-N 1 0 478.594 0.952 20 0 JCADRO COc1cc(N2CC[NH+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)ncn1 ZINC001169211803 1069975081 /nfs/dbraw/zinc/97/50/81/1069975081.db2.gz ITCLVJUHDMBTFQ-INIZCTEOSA-N 1 0 456.551 0.613 20 0 JCADRO COc1cc(N2CC[NH+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)ncn1 ZINC001169211804 1069974945 /nfs/dbraw/zinc/97/49/45/1069974945.db2.gz ITCLVJUHDMBTFQ-MRXNPFEDSA-N 1 0 456.551 0.613 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC001169212347 1069975200 /nfs/dbraw/zinc/97/52/00/1069975200.db2.gz MDHQEGAPMGIZSW-KRWDZBQOSA-N 1 0 453.547 0.846 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC001169212348 1069974874 /nfs/dbraw/zinc/97/48/74/1069974874.db2.gz MDHQEGAPMGIZSW-QGZVFWFLSA-N 1 0 453.547 0.846 20 0 JCADRO CCOC(=O)c1nn([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c2c1C[NH2+]CC2 ZINC001169213073 1069975045 /nfs/dbraw/zinc/97/50/45/1069975045.db2.gz OHZSDYWNGPTFHD-AWEZNQCLSA-N 1 0 457.535 0.884 20 0 JCADRO CCOC(=O)c1nn([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c2c1C[NH2+]CC2 ZINC001169213074 1069975016 /nfs/dbraw/zinc/97/50/16/1069975016.db2.gz OHZSDYWNGPTFHD-CQSZACIVSA-N 1 0 457.535 0.884 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC001169213779 1069974924 /nfs/dbraw/zinc/97/49/24/1069974924.db2.gz TYZNMWJDONALLM-KRWDZBQOSA-N 1 0 453.547 0.846 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC001169213780 1069974968 /nfs/dbraw/zinc/97/49/68/1069974968.db2.gz TYZNMWJDONALLM-QGZVFWFLSA-N 1 0 453.547 0.846 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001169213800 1069975227 /nfs/dbraw/zinc/97/52/27/1069975227.db2.gz UNBRLGJMEXYWBB-KRWDZBQOSA-N 1 0 473.622 0.654 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001169213801 1069975162 /nfs/dbraw/zinc/97/51/62/1069975162.db2.gz UNBRLGJMEXYWBB-QGZVFWFLSA-N 1 0 473.622 0.654 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1 ZINC001169214209 1069975120 /nfs/dbraw/zinc/97/51/20/1069975120.db2.gz YTUREWDBXDMINK-DLBZAZTESA-N 1 0 489.602 0.440 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1 ZINC001169214210 1069974896 /nfs/dbraw/zinc/97/48/96/1069974896.db2.gz YTUREWDBXDMINK-IAGOWNOFSA-N 1 0 489.602 0.440 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1 ZINC001169214211 1069975069 /nfs/dbraw/zinc/97/50/69/1069975069.db2.gz YTUREWDBXDMINK-IRXDYDNUSA-N 1 0 489.602 0.440 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1 ZINC001169214212 1069975965 /nfs/dbraw/zinc/97/59/65/1069975965.db2.gz YTUREWDBXDMINK-SJORKVTESA-N 1 0 489.602 0.440 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC001169215597 1069976035 /nfs/dbraw/zinc/97/60/35/1069976035.db2.gz AVJKPAKWBWIFIQ-KRWDZBQOSA-N 1 0 453.547 0.846 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC001169215598 1069976091 /nfs/dbraw/zinc/97/60/91/1069976091.db2.gz AVJKPAKWBWIFIQ-QGZVFWFLSA-N 1 0 453.547 0.846 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(N2CCCCS2(=O)=O)CC1 ZINC001169216419 1069976118 /nfs/dbraw/zinc/97/61/18/1069976118.db2.gz FSLYSRBNIDDIRU-KRWDZBQOSA-N 1 0 480.635 0.883 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(N2CCCCS2(=O)=O)CC1 ZINC001169216423 1069975991 /nfs/dbraw/zinc/97/59/91/1069975991.db2.gz FSLYSRBNIDDIRU-QGZVFWFLSA-N 1 0 480.635 0.883 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC001169216539 1069975805 /nfs/dbraw/zinc/97/58/05/1069975805.db2.gz HWACNFWRBVOBQT-KRWDZBQOSA-N 1 0 475.594 0.499 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC001169216540 1069975951 /nfs/dbraw/zinc/97/59/51/1069975951.db2.gz HWACNFWRBVOBQT-QGZVFWFLSA-N 1 0 475.594 0.499 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001169217221 1069975825 /nfs/dbraw/zinc/97/58/25/1069975825.db2.gz KFEQYZSXSPEUAK-FGTMMUONSA-N 1 0 450.559 0.737 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001169217222 1069975760 /nfs/dbraw/zinc/97/57/60/1069975760.db2.gz KFEQYZSXSPEUAK-OKZBNKHCSA-N 1 0 450.559 0.737 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC001169217223 1069975856 /nfs/dbraw/zinc/97/58/56/1069975856.db2.gz KFNQSIKWAOQNSH-MSOLQXFVSA-N 1 0 475.594 0.499 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC001169217224 1069975700 /nfs/dbraw/zinc/97/57/00/1069975700.db2.gz KFNQSIKWAOQNSH-ROUUACIJSA-N 1 0 475.594 0.499 20 0 JCADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001169218101 1069976004 /nfs/dbraw/zinc/97/60/04/1069976004.db2.gz LHEGPCSEAMWOKE-IEBWSBKVSA-N 1 0 474.606 1.000 20 0 JCADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001169218103 1069975737 /nfs/dbraw/zinc/97/57/37/1069975737.db2.gz LHEGPCSEAMWOKE-PKOBYXMFSA-N 1 0 474.606 1.000 20 0 JCADRO CCCNC(=O)COC1CC[NH+]([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169218161 1069975796 /nfs/dbraw/zinc/97/57/96/1069975796.db2.gz MWHGFFPUSGYYDT-KRWDZBQOSA-N 1 0 462.595 1.000 20 0 JCADRO CCCNC(=O)COC1CC[NH+]([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169218162 1069975721 /nfs/dbraw/zinc/97/57/21/1069975721.db2.gz MWHGFFPUSGYYDT-QGZVFWFLSA-N 1 0 462.595 1.000 20 0 JCADRO COc1cnc(N2CC[NH+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)nc1 ZINC001169218893 1069975927 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C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169758159 1070001895 /nfs/dbraw/zinc/00/18/95/1070001895.db2.gz VIAIODONMVTGMP-XJABCFGWSA-N 1 0 495.580 0.304 20 0 JCADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001169761766 1070001838 /nfs/dbraw/zinc/00/18/38/1070001838.db2.gz OZWCWDYFXDPTRJ-HXOBKFHXSA-N 1 0 459.547 0.538 20 0 JCADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001169761767 1070001803 /nfs/dbraw/zinc/00/18/03/1070001803.db2.gz OZWCWDYFXDPTRJ-UZUQRXQVSA-N 1 0 459.547 0.538 20 0 JCADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC001169822380 1070002479 /nfs/dbraw/zinc/00/24/79/1070002479.db2.gz SZSLZPNSMBXZLW-NRFANRHFSA-N 1 0 450.561 0.180 20 0 JCADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC001169822381 1070002533 /nfs/dbraw/zinc/00/25/33/1070002533.db2.gz SZSLZPNSMBXZLW-OAQYLSRUSA-N 1 0 450.561 0.180 20 0 JCADRO COC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H]1CCCO1 ZINC001169832422 1070002310 /nfs/dbraw/zinc/00/23/10/1070002310.db2.gz HWGQVXLYXHPLNH-VQTJNVASSA-N 1 0 453.561 0.506 20 0 JCADRO COC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H]1CCCO1 ZINC001169832424 1070002427 /nfs/dbraw/zinc/00/24/27/1070002427.db2.gz HWGQVXLYXHPLNH-WOJBJXKFSA-N 1 0 453.561 0.506 20 0 JCADRO O=C(OCc1ccccc1)N1CCN(S(=O)(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001169844055 1070002646 /nfs/dbraw/zinc/00/26/46/1070002646.db2.gz KAKGHVQGAGNGLT-NRFANRHFSA-N 1 0 450.561 0.483 20 0 JCADRO O=C(OCc1ccccc1)N1CCN(S(=O)(=O)CC[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001169844057 1070003143 /nfs/dbraw/zinc/00/31/43/1070003143.db2.gz KAKGHVQGAGNGLT-OAQYLSRUSA-N 1 0 450.561 0.483 20 0 JCADRO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC[NH2+]C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169852762 1070003197 /nfs/dbraw/zinc/00/31/97/1070003197.db2.gz BPVKWABAPPOKPN-UHFFFAOYSA-N 1 0 453.627 0.814 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(C1CCC(S(C)(=O)=O)CC1)c(N)nc2=O ZINC001169861619 1070004102 /nfs/dbraw/zinc/00/41/02/1070004102.db2.gz NZCGACPVBNPXFB-NRXISQOPSA-N 1 0 484.579 0.204 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]([NH2+]C3CCC(S(C)(=O)=O)CC3)C2)c2nonc21 ZINC001169863787 1070004434 /nfs/dbraw/zinc/00/44/34/1070004434.db2.gz MDBBGUMFCTULMN-SLTAFYQDSA-N 1 0 471.605 0.997 20 0 JCADRO CS(=O)(=O)C1CCC(n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CC1 ZINC001169871535 1070004367 /nfs/dbraw/zinc/00/43/67/1070004367.db2.gz YTEODQUNHHBXEX-QUDVFMAMSA-N 1 0 477.587 0.200 20 0 JCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](CO)C3CCOCC3)CC2)cc1 ZINC001169872020 1070003910 /nfs/dbraw/zinc/00/39/10/1070003910.db2.gz FVXYBTHTLQBWPG-FQEVSTJZSA-N 1 0 453.561 0.099 20 0 JCADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](CO)C3CCOCC3)CC2)cc1 ZINC001169872022 1070005048 /nfs/dbraw/zinc/00/50/48/1070005048.db2.gz FVXYBTHTLQBWPG-HXUWFJFHSA-N 1 0 453.561 0.099 20 0 JCADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1CCC(S(C)(=O)=O)CC1)C(N)=O ZINC001169872913 1070005036 /nfs/dbraw/zinc/00/50/36/1070005036.db2.gz FWVYMSBZBHLACL-GQGLESIBSA-N 1 0 478.681 0.186 20 0 JCADRO COCCOCCOCCOCCOCCOCCOCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169872917 1070004932 /nfs/dbraw/zinc/00/49/32/1070004932.db2.gz FYPOTNNDIFSUBT-UHFFFAOYSA-N 1 0 499.667 0.678 20 0 JCADRO COCCOCCOCCOCCOCCOCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169874222 1070004701 /nfs/dbraw/zinc/00/47/01/1070004701.db2.gz WMJNDGUESYCQEN-UHFFFAOYSA-N 1 0 455.614 0.661 20 0 JCADRO CS(=O)(=O)C1CCC([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1 ZINC001169881666 1070003593 /nfs/dbraw/zinc/00/35/93/1070003593.db2.gz KFVPTLIZEWREHI-BRAJZSMUSA-N 1 0 491.676 0.317 20 0 JCADRO CS(=O)(=O)C1CCC(n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001169881806 1070004178 /nfs/dbraw/zinc/00/41/78/1070004178.db2.gz XBKVJOWIICDMCN-ZGUYJTEBSA-N 1 0 454.618 0.706 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1CCCC3(C1)OCCO3)c(N)nc2=O ZINC001169914116 1070005525 /nfs/dbraw/zinc/00/55/25/1070005525.db2.gz OCXBCTIYZQJCMO-CABCVRRESA-N 1 0 464.523 0.534 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1CCCC3(C1)OCCO3)c(N)nc2=O ZINC001169914117 1070005847 /nfs/dbraw/zinc/00/58/47/1070005847.db2.gz OCXBCTIYZQJCMO-GJZGRUSLSA-N 1 0 464.523 0.534 20 0 JCADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCCC3(C2)OCCO3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001169916057 1070005564 /nfs/dbraw/zinc/00/55/64/1070005564.db2.gz KCHJTFYYEDCYEZ-UCGFNCKJSA-N 1 0 487.502 0.345 20 0 JCADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCCC3(C2)OCCO3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001169916058 1070005651 /nfs/dbraw/zinc/00/56/51/1070005651.db2.gz KCHJTFYYEDCYEZ-WSBLSWJJSA-N 1 0 487.502 0.345 20 0 JCADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1CCCC2(C1)OCCO2)C(N)=O ZINC001169928386 1070006248 /nfs/dbraw/zinc/00/62/48/1070006248.db2.gz SGATWUAVNZFYMZ-IKGGRYGDSA-N 1 0 458.625 0.516 20 0 JCADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1CCCC2(C1)OCCO2)C(N)=O ZINC001169928387 1070006596 /nfs/dbraw/zinc/00/65/96/1070006596.db2.gz SGATWUAVNZFYMZ-ULQDDVLXSA-N 1 0 458.625 0.516 20 0 JCADRO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169933038 1070006360 /nfs/dbraw/zinc/00/63/60/1070006360.db2.gz CNHZNRCOCLPPPS-FGTMMUONSA-N 1 0 450.561 0.695 20 0 JCADRO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169933039 1070006307 /nfs/dbraw/zinc/00/63/07/1070006307.db2.gz CNHZNRCOCLPPPS-OKZBNKHCSA-N 1 0 450.561 0.695 20 0 JCADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCCC3(C2)OCCO3)cn1 ZINC001169935000 1070006203 /nfs/dbraw/zinc/00/62/03/1070006203.db2.gz HIUDIODGUVISJW-HOJAQTOUSA-N 1 0 457.531 0.530 20 0 JCADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCCC3(C2)OCCO3)cn1 ZINC001169935002 1070006467 /nfs/dbraw/zinc/00/64/67/1070006467.db2.gz HIUDIODGUVISJW-IHPCNDPISA-N 1 0 457.531 0.530 20 0 JCADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]12 ZINC001169945636 1070006956 /nfs/dbraw/zinc/00/69/56/1070006956.db2.gz LMCLHMGBIAKBFL-SBHAEUEKSA-N 1 0 471.620 0.647 20 0 JCADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]12 ZINC001169945637 1070007280 /nfs/dbraw/zinc/00/72/80/1070007280.db2.gz LMCLHMGBIAKBFL-ZVDOUQERSA-N 1 0 471.620 0.647 20 0 JCADRO OC[C@H]1O[C@@H](O)[C@H](Nc2ncc3c(c2F)COC32CC[NH+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001169971145 1070008873 /nfs/dbraw/zinc/00/88/73/1070008873.db2.gz JFCYRXLEDVAEFF-MYRUNHTGSA-N 1 0 475.517 0.454 20 0 JCADRO OC[C@H]1O[C@H](O)[C@H](Nc2ncc3c(c2F)COC32CC[NH+](Cc3ccccc3)CC2)[C@@H](O)[C@@H]1O ZINC001169971146 1070008763 /nfs/dbraw/zinc/00/87/63/1070008763.db2.gz JFCYRXLEDVAEFF-QWXUBURKSA-N 1 0 475.517 0.454 20 0 JCADRO COCc1ccc(Cl)nc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169975717 1070009354 /nfs/dbraw/zinc/00/93/54/1070009354.db2.gz AWYWEKKIEBEEPZ-AWEZNQCLSA-N 1 0 479.925 0.860 20 0 JCADRO Cc1ccc2ncc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)nc2c1 ZINC001169975730 1070009430 /nfs/dbraw/zinc/00/94/30/1070009430.db2.gz BBIBVTVHZHMDLR-KRWDZBQOSA-N 1 0 466.502 0.917 20 0 JCADRO Cc1cc(Cl)nnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169976284 1070009399 /nfs/dbraw/zinc/00/93/99/1070009399.db2.gz GHGZPVFTJUQBJH-LBPRGKRZSA-N 1 0 450.887 0.417 20 0 JCADRO COC(=O)c1ccnc(Cl)c1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169976348 1070009458 /nfs/dbraw/zinc/00/94/58/1070009458.db2.gz GJAVQLZGWQJMQK-LBPRGKRZSA-N 1 0 493.908 0.500 20 0 JCADRO Cc1csc2c1ncnc2-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169977032 1070009613 /nfs/dbraw/zinc/00/96/13/1070009613.db2.gz LBYMOGLSGLDQTN-LBPRGKRZSA-N 1 0 472.531 0.978 20 0 JCADRO Cc1cnc(Cl)nc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169977394 1070010134 /nfs/dbraw/zinc/01/01/34/1070010134.db2.gz NTYJLVQHWZUNAT-NSHDSACASA-N 1 0 450.887 0.417 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccnc3ccncc31)c(N)nc2=O ZINC001169977447 1070010304 /nfs/dbraw/zinc/01/03/04/1070010304.db2.gz OZPQETUFCHNPKL-INIZCTEOSA-N 1 0 452.475 0.608 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nccc3ccncc31)c(N)nc2=O ZINC001169977463 1070010343 /nfs/dbraw/zinc/01/03/43/1070010343.db2.gz PHUXSONVWBJPAX-HNNXBMFYSA-N 1 0 452.475 0.608 20 0 JCADRO Cc1c(C)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nnc1Cl ZINC001169977498 1070010418 /nfs/dbraw/zinc/01/04/18/1070010418.db2.gz QCVYHMOTRFBTEG-LBPRGKRZSA-N 1 0 464.914 0.725 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1c(Cl)cnnc1Cl)c(N)nc2=O ZINC001169978015 1070010011 /nfs/dbraw/zinc/01/00/11/1070010011.db2.gz SURVLCVIWBHZLB-JTQLQIEISA-N 1 0 471.305 0.762 20 0 JCADRO CC(=O)Nc1ccnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169978038 1070010373 /nfs/dbraw/zinc/01/03/73/1070010373.db2.gz TZKHNCUCGIPTSC-HNNXBMFYSA-N 1 0 458.479 0.018 20 0 JCADRO Cc1c(Cl)ncnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169978097 1070009973 /nfs/dbraw/zinc/00/99/73/1070009973.db2.gz UQNRCOJHOFDKOF-NSHDSACASA-N 1 0 450.887 0.417 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nc(Cl)cc(Cl)n1)c(N)nc2=O ZINC001169978123 1070010170 /nfs/dbraw/zinc/01/01/70/1070010170.db2.gz VAISECXBCXGZJN-NSHDSACASA-N 1 0 471.305 0.762 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ncc3sccc3n1)c(N)nc2=O ZINC001169978385 1070010453 /nfs/dbraw/zinc/01/04/53/1070010453.db2.gz XLJRAVMUZXIMKW-ZDUSSCGKSA-N 1 0 458.504 0.670 20 0 JCADRO CCOC(=O)c1ccnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1C ZINC001169978389 1070010232 /nfs/dbraw/zinc/01/02/32/1070010232.db2.gz XOCSUJZDXIPOLL-HNNXBMFYSA-N 1 0 487.517 0.545 20 0 JCADRO CC(C)Cn1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cc1=O ZINC001169979531 1070013037 /nfs/dbraw/zinc/01/30/37/1070013037.db2.gz AEYDLXLFWJCFAQ-KRWDZBQOSA-N 1 0 473.534 0.483 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccccc1N1CCOCC1)c(N)nc2=O ZINC001169979548 1070013200 /nfs/dbraw/zinc/01/32/00/1070013200.db2.gz BCKXEXUDRQBUGL-SFHVURJKSA-N 1 0 485.545 0.502 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccn(C(C)C)c(=O)c1)c(N)nc2=O ZINC001169979561 1070013129 /nfs/dbraw/zinc/01/31/29/1070013129.db2.gz BYMJSMCBLJPRRU-INIZCTEOSA-N 1 0 459.507 0.408 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)NC(=O)C3(C)C)c(N)nc2=O ZINC001169979562 1070012862 /nfs/dbraw/zinc/01/28/62/1070012862.db2.gz CAXLIXIFZHAMSY-INIZCTEOSA-N 1 0 483.529 0.895 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3c1CNC(=O)N3)c(N)nc2=O ZINC001169979572 1070012904 /nfs/dbraw/zinc/01/29/04/1070012904.db2.gz CVAGVBGTRGLZRW-HNNXBMFYSA-N 1 0 470.490 0.300 20 0 JCADRO Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)ccc1N1CCOCC1 ZINC001169979584 1070012722 /nfs/dbraw/zinc/01/27/22/1070012722.db2.gz DOXONWVKUPNSEC-IBGZPJMESA-N 1 0 499.572 0.810 20 0 JCADRO COC(=O)c1c(C)cc(F)cc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169979585 1070013558 /nfs/dbraw/zinc/01/35/58/1070013558.db2.gz DPXFIQKBWIWRAD-INIZCTEOSA-N 1 0 490.492 0.899 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3c1CN(C)C(=O)N3)c(N)nc2=O ZINC001169979590 1070013592 /nfs/dbraw/zinc/01/35/92/1070013592.db2.gz DURFGQDXPXEOQX-INIZCTEOSA-N 1 0 484.517 0.642 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(N3CCC3=O)c1)c(N)nc2=O ZINC001169979594 1070013757 /nfs/dbraw/zinc/01/37/57/1070013757.db2.gz DYHHGCGGHIOMCE-KRWDZBQOSA-N 1 0 469.502 0.402 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccnc3c1ccn3C)c(N)nc2=O ZINC001169979598 1070013728 /nfs/dbraw/zinc/01/37/28/1070013728.db2.gz FDNASPMIXUJLCU-HNNXBMFYSA-N 1 0 454.491 0.552 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)NC(=S)C3)c(N)nc2=O ZINC001169979599 1070013667 /nfs/dbraw/zinc/01/36/67/1070013667.db2.gz FDOJYZHJUDJFLL-INIZCTEOSA-N 1 0 471.543 0.960 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3cc(N)cnc31)c(N)nc2=O ZINC001169979600 1070013522 /nfs/dbraw/zinc/01/35/22/1070013522.db2.gz FDWIVOJQXPCSLC-INIZCTEOSA-N 1 0 466.502 0.795 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=O)n(CC3CCC3)n1)c(N)nc2=O ZINC001169979601 1070013886 /nfs/dbraw/zinc/01/38/86/1070013886.db2.gz FEIISWULPHNUNS-KRWDZBQOSA-N 1 0 486.533 0.022 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cncnc1C(C)(C)C)c(N)nc2=O ZINC001169979604 1070013970 /nfs/dbraw/zinc/01/39/70/1070013970.db2.gz FLHHWCUIOJBTCW-AWEZNQCLSA-N 1 0 458.523 0.753 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)CNC(=O)N3C)c(N)nc2=O ZINC001169979615 1070013801 /nfs/dbraw/zinc/01/38/01/1070013801.db2.gz GBACVXBURGOFPL-INIZCTEOSA-N 1 0 484.517 0.324 20 0 JCADRO COC(=O)/C=C\c1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cc1 ZINC001169979617 1070013774 /nfs/dbraw/zinc/01/37/74/1070013774.db2.gz GDKFGNKDCUNEPB-KKMIYCERSA-N 1 0 484.513 0.851 20 0 JCADRO COC(=O)/C=C/c1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cc1 ZINC001169979618 1070013692 /nfs/dbraw/zinc/01/36/92/1070013692.db2.gz GDKFGNKDCUNEPB-YOCVDRLZSA-N 1 0 484.513 0.851 20 0 JCADRO Cc1nc2ccccc2nc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169979621 1070013830 /nfs/dbraw/zinc/01/38/30/1070013830.db2.gz GIJGNGURQNGODL-INIZCTEOSA-N 1 0 466.502 0.917 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3c1NC(=O)N(C)C3)c(N)nc2=O ZINC001169979626 1070013626 /nfs/dbraw/zinc/01/36/26/1070013626.db2.gz GSWLZFOGAGMWKY-HNNXBMFYSA-N 1 0 484.517 0.642 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(C3(C)OCCO3)c1)c(N)nc2=O ZINC001169979936 1070011281 /nfs/dbraw/zinc/01/12/81/1070011281.db2.gz HCIKYWYIEJEFEE-KRWDZBQOSA-N 1 0 486.529 0.885 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)N(C)CCO3)c(N)nc2=O ZINC001169979939 1070010743 /nfs/dbraw/zinc/01/07/43/1070010743.db2.gz HIZWQHVLJJXSAI-KRWDZBQOSA-N 1 0 471.518 0.494 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3c1CCC31OCCO1)c(N)nc2=O ZINC001169979946 1070010842 /nfs/dbraw/zinc/01/08/42/1070010842.db2.gz HUJGGPNHLDQOLU-SFHVURJKSA-N 1 0 498.540 0.811 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nccc(Br)c1F)c(N)nc2=O ZINC001169979957 1070011066 /nfs/dbraw/zinc/01/10/66/1070011066.db2.gz IKBJKSZXRVKDOQ-LBPRGKRZSA-N 1 0 498.313 0.962 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnc(C(C)(C)C)nc1)c(N)nc2=O ZINC001169979964 1070011099 /nfs/dbraw/zinc/01/10/99/1070011099.db2.gz IOOOLBXOOMRYPO-AWEZNQCLSA-N 1 0 458.523 0.753 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc3cc[nH]c3c(C(N)=O)c1)c(N)nc2=O ZINC001169979965 1070010979 /nfs/dbraw/zinc/01/09/79/1070010979.db2.gz IOQOZPCBPXGKIP-HNNXBMFYSA-N 1 0 482.501 0.245 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(C(N)=S)cc1)c(N)nc2=O ZINC001169979971 1070010826 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/nfs/dbraw/zinc/01/20/70/1070012070.db2.gz NIUAYJVRZRYVSS-ZDUSSCGKSA-N 1 0 462.536 0.485 20 0 JCADRO CCOC(=O)c1cc(C)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cn1 ZINC001169980278 1070012200 /nfs/dbraw/zinc/01/22/00/1070012200.db2.gz NMWQQEJXMIIBOY-INIZCTEOSA-N 1 0 487.517 0.545 20 0 JCADRO CC(C)Oc1cccnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980280 1070012155 /nfs/dbraw/zinc/01/21/55/1070012155.db2.gz NPDZZFMRUFBGDR-HNNXBMFYSA-N 1 0 459.507 0.847 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=O)n(-c3ccccn3)c1)c(N)nc2=O ZINC001169980282 1070011707 /nfs/dbraw/zinc/01/17/07/1070011707.db2.gz NREYGLFFPPDRFD-SFHVURJKSA-N 1 0 494.512 0.211 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(CS(C)(=O)=O)c1)c(N)nc2=O ZINC001169980284 1070011678 /nfs/dbraw/zinc/01/16/78/1070011678.db2.gz NUOPKGYSCSZOQS-INIZCTEOSA-N 1 0 492.558 0.210 20 0 JCADRO Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc2cc[nH]c21 ZINC001169980290 1070011874 /nfs/dbraw/zinc/01/18/74/1070011874.db2.gz NZHCIZYLFWQZKJ-HNNXBMFYSA-N 1 0 454.491 0.850 20 0 JCADRO CC(C)NC(=O)c1cncc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169980291 1070011996 /nfs/dbraw/zinc/01/19/96/1070011996.db2.gz OAWYUTKVPCSEOP-INIZCTEOSA-N 1 0 486.533 0.198 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3c1CCCO3)c(N)nc2=O ZINC001169980295 1070012232 /nfs/dbraw/zinc/01/22/32/1070012232.db2.gz OJGQTEDUVGPULG-KRWDZBQOSA-N 1 0 456.503 0.990 20 0 JCADRO CCOC(=O)c1ccncc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980301 1070012615 /nfs/dbraw/zinc/01/26/15/1070012615.db2.gz OZQHWOFXFJXDAP-HNNXBMFYSA-N 1 0 473.490 0.237 20 0 JCADRO COC(=O)c1c[nH]c2c1cccc2-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980306 1070012941 /nfs/dbraw/zinc/01/29/41/1070012941.db2.gz PGXJXVQMCZJBGG-INIZCTEOSA-N 1 0 497.512 0.933 20 0 JCADRO COCc1cc(OC)ccc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980311 1070013094 /nfs/dbraw/zinc/01/30/94/1070013094.db2.gz PRSWDMFKROASBE-KRWDZBQOSA-N 1 0 474.518 0.820 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnc3c(c1)CCCN3)c(N)nc2=O ZINC001169980319 1070012812 /nfs/dbraw/zinc/01/28/12/1070012812.db2.gz QKDDWXOLRSQGCJ-HNNXBMFYSA-N 1 0 456.507 0.196 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3nc(C(N)=O)ccc3c1)c(N)nc2=O ZINC001169980320 1070013113 /nfs/dbraw/zinc/01/31/13/1070013113.db2.gz QNCQCNKRZNJPEZ-KRWDZBQOSA-N 1 0 494.512 0.312 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccn(C(C)C)c1=O)c(N)nc2=O ZINC001169980334 1070013225 /nfs/dbraw/zinc/01/32/25/1070013225.db2.gz REBLCDMZWKXMGH-HNNXBMFYSA-N 1 0 459.507 0.408 20 0 JCADRO CC(=O)Nc1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c(C)n1 ZINC001169980346 1070012693 /nfs/dbraw/zinc/01/26/93/1070012693.db2.gz RRLABWLQISKMCL-INIZCTEOSA-N 1 0 472.506 0.327 20 0 JCADRO C=CC(=O)Oc1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cc1 ZINC001169980356 1070013154 /nfs/dbraw/zinc/01/31/54/1070013154.db2.gz RZFNRBWMRJTKCL-KRWDZBQOSA-N 1 0 470.486 0.756 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(CCC(N)=O)c1)c(N)nc2=O ZINC001169980393 1070011920 /nfs/dbraw/zinc/01/19/20/1070011920.db2.gz SCSAKCYDLVYYSX-KRWDZBQOSA-N 1 0 471.518 0.083 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnc3c(c1)NC(=O)CS3)c(N)nc2=O ZINC001169980404 1070013008 /nfs/dbraw/zinc/01/30/08/1070013008.db2.gz STPSGIIREZXBEN-AWEZNQCLSA-N 1 0 488.530 0.104 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=O)n(-c3ccncc3)c1)c(N)nc2=O ZINC001169980414 1070018214 /nfs/dbraw/zinc/01/82/14/1070018214.db2.gz TYZWUQGYHPQGOJ-SFHVURJKSA-N 1 0 494.512 0.211 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc([C@H]3CCC(=O)N3)cc1)c(N)nc2=O ZINC001169980417 1070018378 /nfs/dbraw/zinc/01/83/78/1070018378.db2.gz UCRRXTOBQDTNGW-AEFFLSMTSA-N 1 0 483.529 0.616 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc([C@@H]3CCC(=O)N3)cc1)c(N)nc2=O ZINC001169980418 1070018141 /nfs/dbraw/zinc/01/81/41/1070018141.db2.gz UCRRXTOBQDTNGW-WMZOPIPTSA-N 1 0 483.529 0.616 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccn(-c3cccnc3)c(=O)c1)c(N)nc2=O ZINC001169980440 1070018315 /nfs/dbraw/zinc/01/83/15/1070018315.db2.gz UYVRNHMOJXKJMA-SFHVURJKSA-N 1 0 494.512 0.211 20 0 JCADRO CCOC(=O)Cc1cccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169980449 1070017880 /nfs/dbraw/zinc/01/78/80/1070017880.db2.gz VKDRMURJLXKMOU-KRWDZBQOSA-N 1 0 487.517 0.166 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=O)n(C3CCC3)c1)c(N)nc2=O ZINC001169980461 1070018099 /nfs/dbraw/zinc/01/80/99/1070018099.db2.gz WHRUYPBGFWTLPA-KRWDZBQOSA-N 1 0 471.518 0.552 20 0 JCADRO CC(C)Cn1cccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1=O ZINC001169980470 1070018178 /nfs/dbraw/zinc/01/81/78/1070018178.db2.gz WVRDMEIJWYEVBB-INIZCTEOSA-N 1 0 473.534 0.483 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnn(CC3CCC3)c(=O)c1)c(N)nc2=O ZINC001169980471 1070017964 /nfs/dbraw/zinc/01/79/64/1070017964.db2.gz WXHGKLXEHVLNQB-KRWDZBQOSA-N 1 0 486.533 0.022 20 0 JCADRO COC(=O)c1nccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1C ZINC001169980485 1070017904 /nfs/dbraw/zinc/01/79/04/1070017904.db2.gz XRBBIEUXTIHTMM-AWEZNQCLSA-N 1 0 473.490 0.155 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc([S@](C)(=N)=O)cc1)c(N)nc2=O ZINC001169980488 1070017986 /nfs/dbraw/zinc/01/79/86/1070017986.db2.gz XUOIKUQYODMBKY-NJHFVCTFSA-N 1 0 477.547 0.700 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc([S@@](C)(=N)=O)cc1)c(N)nc2=O ZINC001169980489 1070018047 /nfs/dbraw/zinc/01/80/47/1070018047.db2.gz XUOIKUQYODMBKY-YHOYWCJOSA-N 1 0 477.547 0.700 20 0 JCADRO COC(=N)c1cccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169980493 1070018679 /nfs/dbraw/zinc/01/86/79/1070018679.db2.gz XWYIZPWBUWSHJN-HNNXBMFYSA-N 1 0 457.491 0.637 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)CC(=O)NC3(C)C)c(N)nc2=O ZINC001169980497 1070019121 /nfs/dbraw/zinc/01/91/21/1070019121.db2.gz XZORVDULRIFOMY-SFHVURJKSA-N 1 0 497.556 0.572 20 0 JCADRO COC(=O)c1cc(C)cnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980504 1070018806 /nfs/dbraw/zinc/01/88/06/1070018806.db2.gz YMOVIQJQMUTVRJ-AWEZNQCLSA-N 1 0 473.490 0.155 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3cnccc3n1)c(N)nc2=O ZINC001169980511 1070019289 /nfs/dbraw/zinc/01/92/89/1070019289.db2.gz YTOLOLTYORJZIM-INIZCTEOSA-N 1 0 452.475 0.608 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnccc1/C=C/N(C)C)c(N)nc2=O ZINC001169980517 1070018879 /nfs/dbraw/zinc/01/88/79/1070018879.db2.gz YXHUKWWJQKUQLI-JKNJVXJCSA-N 1 0 470.534 0.592 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnn(-c3ccccc3)c(=O)c1)c(N)nc2=O ZINC001169980536 1070013915 /nfs/dbraw/zinc/01/39/15/1070013915.db2.gz ZPGIQUNQYNBDBA-SFHVURJKSA-N 1 0 494.512 0.211 20 0 JCADRO CNC(=O)c1ccnc(Cl)c1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980843 1070014381 /nfs/dbraw/zinc/01/43/81/1070014381.db2.gz ABELYJSMIDRVCS-LBPRGKRZSA-N 1 0 492.924 0.073 20 0 JCADRO CC(C)Oc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)ccn1 ZINC001169980846 1070014412 /nfs/dbraw/zinc/01/44/12/1070014412.db2.gz ADUFBRJLCFAYQR-INIZCTEOSA-N 1 0 459.507 0.847 20 0 JCADRO Cc1cc2cnc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)nc2s1 ZINC001169980860 1070014804 /nfs/dbraw/zinc/01/48/04/1070014804.db2.gz ARBJPZLXDLTHEG-ZDUSSCGKSA-N 1 0 472.531 0.978 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(CC(=O)N(C)C)cc1)c(N)nc2=O ZINC001169980865 1070014590 /nfs/dbraw/zinc/01/45/90/1070014590.db2.gz AXNMNBVPYMSNNN-SFHVURJKSA-N 1 0 485.545 0.296 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(Cl)cc(N)n1)c(N)nc2=O ZINC001169980872 1070014567 /nfs/dbraw/zinc/01/45/67/1070014567.db2.gz BBZUUGXHNBBLFH-ZDUSSCGKSA-N 1 0 450.887 0.296 20 0 JCADRO CCc1cc(Cl)nnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980883 1070014769 /nfs/dbraw/zinc/01/47/69/1070014769.db2.gz BUHYNKALYICGTL-ZDUSSCGKSA-N 1 0 464.914 0.671 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)COC3=O)c(N)nc2=O ZINC001169980884 1070014442 /nfs/dbraw/zinc/01/44/42/1070014442.db2.gz BUQVJEKXDHUCNP-HNNXBMFYSA-N 1 0 456.459 0.335 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccccc1C(C)(C)O)c(N)nc2=O ZINC001169980886 1070014932 /nfs/dbraw/zinc/01/49/32/1070014932.db2.gz BYFHGINWDHITLY-INIZCTEOSA-N 1 0 458.519 0.892 20 0 JCADRO COC(=O)c1ccc(N)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169980896 1070014491 /nfs/dbraw/zinc/01/44/91/1070014491.db2.gz CGHJVCODMIVWJH-HNNXBMFYSA-N 1 0 473.490 0.034 20 0 JCADRO CC(=O)Nc1ccc(C)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169980897 1070014352 /nfs/dbraw/zinc/01/43/52/1070014352.db2.gz CHQAJHGRCYTZPO-KRWDZBQOSA-N 1 0 471.518 0.932 20 0 JCADRO CCOC(=O)Cc1ccncc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980909 1070014969 /nfs/dbraw/zinc/01/49/69/1070014969.db2.gz CYZRKHIQYBHRHQ-KRWDZBQOSA-N 1 0 487.517 0.166 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nccc3ccn(C)c31)c(N)nc2=O ZINC001169980910 1070014663 /nfs/dbraw/zinc/01/46/63/1070014663.db2.gz CZIHWBQQPMREEF-AWEZNQCLSA-N 1 0 454.491 0.552 20 0 JCADRO COC(=O)[C@@H](C)c1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169980911 1070014843 /nfs/dbraw/zinc/01/48/43/1070014843.db2.gz CZNMIWLUTOHRLJ-BBRMVZONSA-N 1 0 487.517 0.337 20 0 JCADRO COC(=O)[C@H](C)c1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169980912 1070014735 /nfs/dbraw/zinc/01/47/35/1070014735.db2.gz CZNMIWLUTOHRLJ-CJNGLKHVSA-N 1 0 487.517 0.337 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)CC(=O)N3C)c(N)nc2=O ZINC001169980921 1070014700 /nfs/dbraw/zinc/01/47/00/1070014700.db2.gz DLCWDLGDVJLLPY-KRWDZBQOSA-N 1 0 469.502 0.184 20 0 JCADRO Cc1csc2nc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)ncc12 ZINC001169980922 1070014535 /nfs/dbraw/zinc/01/45/35/1070014535.db2.gz DMOLQRYWCKQHES-ZDUSSCGKSA-N 1 0 472.531 0.978 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ncccc1[Si](C)(C)C)c(N)nc2=O ZINC001169980926 1070014464 /nfs/dbraw/zinc/01/44/64/1070014464.db2.gz DQNHDEAKGCMVQA-HNNXBMFYSA-N 1 0 473.610 0.605 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(N3CCNC3=O)c1)c(N)nc2=O ZINC001169980927 1070014882 /nfs/dbraw/zinc/01/48/82/1070014882.db2.gz DSLBJDPBQPVCBJ-INIZCTEOSA-N 1 0 484.517 0.195 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nnc(Cl)c3c1CCC3)c(N)nc2=O ZINC001169980928 1070015190 /nfs/dbraw/zinc/01/51/90/1070015190.db2.gz DUDMAIBEIAAGEK-ZDUSSCGKSA-N 1 0 476.925 0.597 20 0 JCADRO COC(=O)CCc1ccccc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980930 1070015783 /nfs/dbraw/zinc/01/57/83/1070015783.db2.gz DWAHIYHBLCNWEJ-SFHVURJKSA-N 1 0 486.529 0.771 20 0 JCADRO Cc1nsc2nc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)ccc12 ZINC001169980931 1070015457 /nfs/dbraw/zinc/01/54/57/1070015457.db2.gz DWCJTLJFZDEQFL-AWEZNQCLSA-N 1 0 472.531 0.978 20 0 JCADRO COC(=O)c1cc2[nH]ccc2cc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980935 1070015622 /nfs/dbraw/zinc/01/56/22/1070015622.db2.gz FALDNKVDZIAZRG-KRWDZBQOSA-N 1 0 497.512 0.933 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(C3CCC3)nn1)c(N)nc2=O ZINC001169980937 1070015270 /nfs/dbraw/zinc/01/52/70/1070015270.db2.gz FAVNPWQNRZNFIF-INIZCTEOSA-N 1 0 456.507 0.723 20 0 JCADRO CC(C)OCc1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169980939 1070015303 /nfs/dbraw/zinc/01/53/03/1070015303.db2.gz FDQUTWUJIXFSSM-KRWDZBQOSA-N 1 0 473.534 0.985 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nccc([Si](C)(C)C)c1F)c(N)nc2=O ZINC001169980941 1070015756 /nfs/dbraw/zinc/01/57/56/1070015756.db2.gz FLTNKTYVXJLXTL-HNNXBMFYSA-N 1 0 491.600 0.744 20 0 JCADRO Cc1nc2c(c(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)n1)CCCC2 ZINC001169980942 1070015564 /nfs/dbraw/zinc/01/55/64/1070015564.db2.gz FNGHWUJXUQDEIP-INIZCTEOSA-N 1 0 470.534 0.642 20 0 JCADRO Cc1nc2ccc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)cc2c(=O)o1 ZINC001169981346 1070015729 /nfs/dbraw/zinc/01/57/29/1070015729.db2.gz FVTDHPCSVWSUJR-INIZCTEOSA-N 1 0 483.485 0.475 20 0 JCADRO Cc1cc2nc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)ccc2[nH]1 ZINC001169981351 1070015416 /nfs/dbraw/zinc/01/54/16/1070015416.db2.gz GATJENGEZHBEPI-INIZCTEOSA-N 1 0 454.491 0.850 20 0 JCADRO COC(=O)c1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cc2[nH]ccc21 ZINC001169981352 1070015494 /nfs/dbraw/zinc/01/54/94/1070015494.db2.gz GDHZUKOSGCJZML-KRWDZBQOSA-N 1 0 497.512 0.933 20 0 JCADRO Cc1cnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c([Si](C)(C)C)c1 ZINC001169981356 1070015241 /nfs/dbraw/zinc/01/52/41/1070015241.db2.gz GIWXSZFZAABIRI-INIZCTEOSA-N 1 0 487.637 0.914 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ncccc1-n1cccc1)c(N)nc2=O ZINC001169981357 1070015531 /nfs/dbraw/zinc/01/55/31/1070015531.db2.gz GJXOPIZAPOXZBC-INIZCTEOSA-N 1 0 466.502 0.851 20 0 JCADRO Cc1ncc2ccc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)cc2n1 ZINC001169981361 1070015339 /nfs/dbraw/zinc/01/53/39/1070015339.db2.gz GOMFFXIQEVTEMN-KRWDZBQOSA-N 1 0 466.502 0.917 20 0 JCADRO Cc1c2nc[nH]c2ccc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169981365 1070015645 /nfs/dbraw/zinc/01/56/45/1070015645.db2.gz GTNLQXMFFHWUDD-HNNXBMFYSA-N 1 0 454.491 0.850 20 0 JCADRO CCc1nc(Cl)nc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1C ZINC001169981369 1070015700 /nfs/dbraw/zinc/01/57/00/1070015700.db2.gz HDMFRPUIAAPFOW-ZDUSSCGKSA-N 1 0 478.941 0.979 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3nnccc3c1)c(N)nc2=O ZINC001169981370 1070015378 /nfs/dbraw/zinc/01/53/78/1070015378.db2.gz HECUYOKZXUOZPX-INIZCTEOSA-N 1 0 452.475 0.608 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(OCC3CC3)ccn1)c(N)nc2=O ZINC001169981375 1070016627 /nfs/dbraw/zinc/01/66/27/1070016627.db2.gz HJENZGHSZMKOPF-KRWDZBQOSA-N 1 0 471.518 0.849 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nc(Cl)nc3c1CCS3)c(N)nc2=O ZINC001169981376 1070016667 /nfs/dbraw/zinc/01/66/67/1070016667.db2.gz HLPGDTDRJRGVDF-NSHDSACASA-N 1 0 494.965 0.757 20 0 JCADRO Cc1cc2cc[nH]c2c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169981380 1070016343 /nfs/dbraw/zinc/01/63/43/1070016343.db2.gz HTMSONMVPDABSO-AWEZNQCLSA-N 1 0 454.491 0.850 20 0 JCADRO COC(=O)c1ccc(C)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169981381 1070016134 /nfs/dbraw/zinc/01/61/34/1070016134.db2.gz HWIISVMXLQRQLG-AWEZNQCLSA-N 1 0 473.490 0.155 20 0 JCADRO Cc1nc2[nH]ccc2cc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169981385 1070016046 /nfs/dbraw/zinc/01/60/46/1070016046.db2.gz IBBJGTHOSCEHIZ-HNNXBMFYSA-N 1 0 454.491 0.801 20 0 JCADRO Cc1cnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c2[nH]ccc21 ZINC001169981387 1070016259 /nfs/dbraw/zinc/01/62/59/1070016259.db2.gz ICSAGHRNDQXCNY-AWEZNQCLSA-N 1 0 454.491 0.850 20 0 JCADRO CSc1ncc(C)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169981390 1070016302 /nfs/dbraw/zinc/01/63/02/1070016302.db2.gz IGIREWQEDHRLJX-LBPRGKRZSA-N 1 0 462.536 0.485 20 0 JCADRO Cc1c2cc[nH]c2ncc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169981395 1070016215 /nfs/dbraw/zinc/01/62/15/1070016215.db2.gz IMNUWCYLLFGALP-HNNXBMFYSA-N 1 0 454.491 0.801 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)NC(=O)[C@H]3C)c(N)nc2=O ZINC001169981401 1070016462 /nfs/dbraw/zinc/01/64/62/1070016462.db2.gz IXDTWYSPVXHPMZ-LRDDRELGSA-N 1 0 469.502 0.721 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)NC(=O)[C@@H]3C)c(N)nc2=O ZINC001169981402 1070016685 /nfs/dbraw/zinc/01/66/85/1070016685.db2.gz IXDTWYSPVXHPMZ-WBMJQRKESA-N 1 0 469.502 0.721 20 0 JCADRO Cc1ccc2nc(-n3c4c(ncn4COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc3N)ccc2n1 ZINC001169981408 1070016524 /nfs/dbraw/zinc/01/65/24/1070016524.db2.gz JCXDTKUNVVFMRW-KRWDZBQOSA-N 1 0 466.502 0.917 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(N(C)C)cc(Cl)n1)c(N)nc2=O ZINC001169981422 1070016647 /nfs/dbraw/zinc/01/66/47/1070016647.db2.gz JVIUKQGOZDXTKQ-HNNXBMFYSA-N 1 0 478.941 0.779 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(-n3cccc3)cn1)c(N)nc2=O ZINC001169981424 1070016493 /nfs/dbraw/zinc/01/64/93/1070016493.db2.gz JWONPAKRSMCRAU-KRWDZBQOSA-N 1 0 466.502 0.851 20 0 JCADRO Cc1cc(N(C)C)ncc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169981426 1070016556 /nfs/dbraw/zinc/01/65/56/1070016556.db2.gz JYRONQLTGBFSCM-INIZCTEOSA-N 1 0 458.523 0.434 20 0 JCADRO Cc1cc2ncccc2nc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169981441 1070016579 /nfs/dbraw/zinc/01/65/79/1070016579.db2.gz JYTBDLNNLDVZQC-INIZCTEOSA-N 1 0 466.502 0.917 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(NS(C)(=O)=O)c1)c(N)nc2=O ZINC001169981455 1070016383 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0.167 20 0 JCADRO CC[C@@H]1C[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CCO1 ZINC001170168436 1070077656 /nfs/dbraw/zinc/07/76/56/1070077656.db2.gz HJSTWPNRMRKFJA-XUWVNRHRSA-N 1 0 466.539 0.167 20 0 JCADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CCO1 ZINC001170180014 1070078553 /nfs/dbraw/zinc/07/85/53/1070078553.db2.gz YVLKEHUUEKKYEV-HOLKMYPKSA-N 1 0 459.492 0.617 20 0 JCADRO CC[C@H]1C[C@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CCO1 ZINC001170180015 1070078486 /nfs/dbraw/zinc/07/84/86/1070078486.db2.gz YVLKEHUUEKKYEV-LRUBYMQBSA-N 1 0 459.492 0.617 20 0 JCADRO CC[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CCO1 ZINC001170180016 1070078596 /nfs/dbraw/zinc/07/85/96/1070078596.db2.gz YVLKEHUUEKKYEV-NEQGIQDRSA-N 1 0 459.492 0.617 20 0 JCADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CCO1 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ZINC001170398490 1070091756 /nfs/dbraw/zinc/09/17/56/1070091756.db2.gz KGTPOKFPAQQOCE-IMYGGXQCSA-N 1 0 459.613 0.462 20 0 JCADRO Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398491 1070091874 /nfs/dbraw/zinc/09/18/74/1070091874.db2.gz KGTPOKFPAQQOCE-NDVSXACPSA-N 1 0 459.613 0.462 20 0 JCADRO Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398493 1070091609 /nfs/dbraw/zinc/09/16/09/1070091609.db2.gz KGTPOKFPAQQOCE-SARNLOFESA-N 1 0 459.613 0.462 20 0 JCADRO Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])nc(S(C)(=O)=O)n1 ZINC001170398494 1070091839 /nfs/dbraw/zinc/09/18/39/1070091839.db2.gz KGTPOKFPAQQOCE-XQWZKXDRSA-N 1 0 459.613 0.462 20 0 JCADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001170430605 1070100894 /nfs/dbraw/zinc/10/08/94/1070100894.db2.gz CALJJJASGKMJIX-CVAIRZPRSA-N 1 0 484.553 0.749 20 0 JCADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001170430606 1070100841 /nfs/dbraw/zinc/10/08/41/1070100841.db2.gz CALJJJASGKMJIX-QSFXBCCZSA-N 1 0 484.553 0.749 20 0 JCADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001170432614 1070100702 /nfs/dbraw/zinc/10/07/02/1070100702.db2.gz UFIZAOLVTKRZPG-RFBFEFTOSA-N 1 0 457.527 0.994 20 0 JCADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001170432615 1070101053 /nfs/dbraw/zinc/10/10/53/1070101053.db2.gz UFIZAOLVTKRZPG-YZHKUDHRSA-N 1 0 457.527 0.994 20 0 JCADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC001170468244 1070120685 /nfs/dbraw/zinc/12/06/85/1070120685.db2.gz ATLDRLLBCGXSKC-UHFFFAOYSA-N 1 0 451.593 0.921 20 0 JCADRO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O ZINC001170481578 1070130418 /nfs/dbraw/zinc/13/04/18/1070130418.db2.gz VNALRLVMEJRCHT-BBWFWOEESA-N 1 0 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CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)c(N)nc2=O ZINC001170719498 1070248883 /nfs/dbraw/zinc/24/88/83/1070248883.db2.gz CMQOIFSDTMQJNR-RFBLXINOSA-N 1 0 462.551 0.644 20 0 JCADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001170722525 1070249539 /nfs/dbraw/zinc/24/95/39/1070249539.db2.gz LCCFFIXISJIZHY-CEXWTWQISA-N 1 0 455.621 0.809 20 0 JCADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001170722526 1070249557 /nfs/dbraw/zinc/24/95/57/1070249557.db2.gz LCCFFIXISJIZHY-GBESFXJTSA-N 1 0 455.621 0.809 20 0 JCADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001170722527 1070249382 /nfs/dbraw/zinc/24/93/82/1070249382.db2.gz LCCFFIXISJIZHY-GUDVDZBRSA-N 1 0 455.621 0.809 20 0 JCADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001170722528 1070249586 /nfs/dbraw/zinc/24/95/86/1070249586.db2.gz LCCFFIXISJIZHY-IPMKNSEASA-N 1 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ADYDFXSAMMNKEL-NSHGMRRFSA-N 1 0 453.605 0.895 20 0 JCADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)cc2)CC1 ZINC001170775337 1070273620 /nfs/dbraw/zinc/27/36/20/1070273620.db2.gz IWGUPKZENTZABO-SFHVURJKSA-N 1 0 452.577 0.114 20 0 JCADRO COc1cc2c(cc1NS(=O)(=O)c1ccc(N[C@H]3C[NH2+]C[C@@H]3CO)cc1C)n(C)c(=O)n2C ZINC001170780631 1070275795 /nfs/dbraw/zinc/27/57/95/1070275795.db2.gz HUMDQXSTBBJJKY-PBHICJAKSA-N 1 0 475.571 0.987 20 0 JCADRO COc1cc2c(cc1NS(=O)(=O)c1ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)cc1C)n(C)c(=O)n2C ZINC001170780635 1070275910 /nfs/dbraw/zinc/27/59/10/1070275910.db2.gz HUMDQXSTBBJJKY-RHSMWYFYSA-N 1 0 475.571 0.987 20 0 JCADRO COc1cc2c(cc1NS(=O)(=O)c1ccc(N[C@@H]3C[NH2+]C[C@H]3CO)cc1C)n(C)c(=O)n2C ZINC001170780637 1070276477 /nfs/dbraw/zinc/27/64/77/1070276477.db2.gz HUMDQXSTBBJJKY-WMLDXEAASA-N 1 0 475.571 0.987 20 0 JCADRO COc1cc2c(cc1NS(=O)(=O)c1ccc(N[C@H]3C[NH2+]C[C@H]3CO)cc1C)n(C)c(=O)n2C ZINC001170780638 1070276452 /nfs/dbraw/zinc/27/64/52/1070276452.db2.gz HUMDQXSTBBJJKY-YOEHRIQHSA-N 1 0 475.571 0.987 20 0 JCADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@H]2CCCOCC2)cc1 ZINC001170791835 1070277724 /nfs/dbraw/zinc/27/77/24/1070277724.db2.gz FKISAPRESZEUQQ-MIGBRYPXSA-N 1 0 459.499 0.900 20 0 JCADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@@H]2CCCOCC2)cc1 ZINC001170791842 1070278268 /nfs/dbraw/zinc/27/82/68/1070278268.db2.gz FKISAPRESZEUQQ-XGAGZNTDSA-N 1 0 459.499 0.900 20 0 JCADRO CC(C)[C@H]([NH2+][C@@H]1CCCOCC1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170792415 1070278534 /nfs/dbraw/zinc/27/85/34/1070278534.db2.gz MVSWGVRMAKODGM-GIVPXCGWSA-N 1 0 477.606 0.998 20 0 JCADRO CC(C)[C@H]([NH2+][C@H]1CCCOCC1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170792416 1070278327 /nfs/dbraw/zinc/27/83/27/1070278327.db2.gz MVSWGVRMAKODGM-JBACZVJFSA-N 1 0 477.606 0.998 20 0 JCADRO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001170801395 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Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cnc(C(N)=O)cn3)nc2C(N)=O)nc1C ZINC001170811689 1070280291 /nfs/dbraw/zinc/28/02/91/1070280291.db2.gz GWANIMHECJSKOA-LSDHHAIUSA-N 1 0 476.545 0.786 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cn(C)c(=O)cn3)nc2C(N)=O)nc1C ZINC001170811690 1070280833 /nfs/dbraw/zinc/28/08/33/1070280833.db2.gz GWZQTFZORWPLST-JKSUJKDBSA-N 1 0 463.546 0.991 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3nccnc3C(N)=O)nc2C(N)=O)nc1C ZINC001170811965 1070281818 /nfs/dbraw/zinc/28/18/18/1070281818.db2.gz MCQYXNVAQUEYQP-LSDHHAIUSA-N 1 0 476.545 0.786 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3ccc(CC(N)=O)nn3)nc2C(N)=O)nc1C ZINC001170811983 1070281942 /nfs/dbraw/zinc/28/19/42/1070281942.db2.gz MMQMCWZOTPBIKP-DLBZAZTESA-N 1 0 490.572 0.715 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3ccc(=O)n(C)n3)nc2C(N)=O)nc1C ZINC001170812138 1070282660 /nfs/dbraw/zinc/28/26/60/1070282660.db2.gz PFKHFMSHZRNGIP-JKSUJKDBSA-N 1 0 463.546 0.991 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3ccnn(C)c3=O)nc2C(N)=O)nc1C ZINC001170813753 1070282801 /nfs/dbraw/zinc/28/28/01/1070282801.db2.gz LNRMAOSZNFPMKN-JKSUJKDBSA-N 1 0 463.546 0.991 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cnc(=O)n(C)c3)nc2C(N)=O)nc1C ZINC001170813884 1070282748 /nfs/dbraw/zinc/28/27/48/1070282748.db2.gz MIQKDGGXNXGRHA-DLBZAZTESA-N 1 0 463.546 0.991 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cnc(C(N)=O)nc3)nc2C(N)=O)nc1C ZINC001170813945 1070283312 /nfs/dbraw/zinc/28/33/12/1070283312.db2.gz NBXZNXNAFFMYIZ-JKSUJKDBSA-N 1 0 476.545 0.786 20 0 JCADRO CCOC(=O)c1nnn(C2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1C(F)F ZINC001170814214 1070283189 /nfs/dbraw/zinc/28/31/89/1070283189.db2.gz ALCUIEJMUMRJHN-CYBMUJFWSA-N 1 0 456.494 0.966 20 0 JCADRO CCOC(=O)c1nnn(C2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1C(F)F ZINC001170814215 1070283356 /nfs/dbraw/zinc/28/33/56/1070283356.db2.gz ALCUIEJMUMRJHN-ZDUSSCGKSA-N 1 0 456.494 0.966 20 0 JCADRO CC(C)[C@H](Nc1ccc[n+](C)c1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170843646 1070287888 /nfs/dbraw/zinc/28/78/88/1070287888.db2.gz FFAVKXSLZPKZON-SFTDATJTSA-O 1 0 471.582 0.776 20 0 JCADRO CC(C)[C@H](Nc1cc[nH+]cc1)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170844005 1070289365 /nfs/dbraw/zinc/28/93/65/1070289365.db2.gz HBZYSJWCYKBZGI-PMACEKPBSA-N 1 0 456.547 0.768 20 0 JCADRO CC(C)[C@H](Nc1c[nH+]cn1C)C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O ZINC001170845529 1070290102 /nfs/dbraw/zinc/29/01/02/1070290102.db2.gz XJWQPKCHGPBRJN-HKUYNNGSSA-N 1 0 459.551 0.685 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170855368 1070293076 /nfs/dbraw/zinc/29/30/76/1070293076.db2.gz XUGFSRNMEUNVAT-AOVUVUSJSA-N 1 0 491.346 0.246 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170855369 1070293028 /nfs/dbraw/zinc/29/30/28/1070293028.db2.gz XUGFSRNMEUNVAT-PBOZHIJLSA-N 1 0 491.346 0.246 20 0 JCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170855571 1070292072 /nfs/dbraw/zinc/29/20/72/1070292072.db2.gz ZCCATUJPCIAIIB-CFGWQNJFSA-N 1 0 475.347 0.937 20 0 JCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170855572 1070292151 /nfs/dbraw/zinc/29/21/51/1070292151.db2.gz ZCCATUJPCIAIIB-MGCCTARWSA-N 1 0 475.347 0.937 20 0 JCADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@H]2CCc3ccc(Br)cc3C2)c(=O)[nH]1 ZINC001170856428 1070293523 /nfs/dbraw/zinc/29/35/23/1070293523.db2.gz MHFKYKKHXONMQH-QBBQCFRVSA-N 1 0 452.305 0.478 20 0 JCADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@@H]2CCc3ccc(Br)cc3C2)c(=O)[nH]1 ZINC001170856434 1070293587 /nfs/dbraw/zinc/29/35/87/1070293587.db2.gz MHFKYKKHXONMQH-RTKZEXODSA-N 1 0 452.305 0.478 20 0 JCADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(-c2ccc(NC(=O)NC)cc2)nc(N2CCOCC2)n1 ZINC001170867905 1070295811 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NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171529639 1068229381 /nfs/dbraw/zinc/22/93/81/1068229381.db2.gz NTKFMYAFHSAMHS-KKXDTOCCSA-N 1 0 451.445 0.830 20 0 JCADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](CC(=O)NCc4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC001171544919 1068229305 /nfs/dbraw/zinc/22/93/05/1068229305.db2.gz JRHXDAHBSBYARW-KRWDZBQOSA-N 1 0 456.522 0.991 20 0 JCADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](CC(=O)NCc4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC001171544920 1068229211 /nfs/dbraw/zinc/22/92/11/1068229211.db2.gz JRHXDAHBSBYARW-QGZVFWFLSA-N 1 0 456.522 0.991 20 0 JCADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)c1 ZINC001171545838 1068229230 /nfs/dbraw/zinc/22/92/30/1068229230.db2.gz YCEZLCVJOPFIGH-AEFFLSMTSA-N 1 0 453.561 0.648 20 0 JCADRO Cc1cccc2c1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001171562965 1068229941 /nfs/dbraw/zinc/22/99/41/1068229941.db2.gz BFZWEMHMQIUEQU-BPXKWBHBSA-N 1 0 452.555 0.865 20 0 JCADRO 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JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC12CCC2 ZINC001171830695 1068235803 /nfs/dbraw/zinc/23/58/03/1068235803.db2.gz HPMQRTVNKGYDFO-CFGWQNJFSA-N 1 0 489.577 0.940 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)CC12CCC2 ZINC001171830698 1068235606 /nfs/dbraw/zinc/23/56/06/1068235606.db2.gz HPMQRTVNKGYDFO-MGCCTARWSA-N 1 0 489.577 0.940 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC12CCC2 ZINC001171837928 1068236447 /nfs/dbraw/zinc/23/64/47/1068236447.db2.gz LDJFJEZMIDOYHW-QBBQCFRVSA-N 1 0 466.535 0.480 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC12CCC2 ZINC001171837929 1068236516 /nfs/dbraw/zinc/23/65/16/1068236516.db2.gz LDJFJEZMIDOYHW-RTKZEXODSA-N 1 0 466.535 0.480 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC12CCC2 ZINC001171844665 1068236285 /nfs/dbraw/zinc/23/62/85/1068236285.db2.gz PEXIUFXKQIBLRG-CVEARBPZSA-N 1 0 451.568 0.491 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC12CCC2 ZINC001171844666 1068236583 /nfs/dbraw/zinc/23/65/83/1068236583.db2.gz PEXIUFXKQIBLRG-HOTGVXAUSA-N 1 0 451.568 0.491 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC12CCC2 ZINC001171845687 1068236571 /nfs/dbraw/zinc/23/65/71/1068236571.db2.gz ZFMIUFLNZILATQ-CFGWQNJFSA-N 1 0 489.577 0.940 20 0 JCADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC12CCC2 ZINC001171845688 1068236614 /nfs/dbraw/zinc/23/66/14/1068236614.db2.gz ZFMIUFLNZILATQ-MGCCTARWSA-N 1 0 489.577 0.940 20 0 JCADRO CO[C@]1(CO)CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC001171847451 1068237322 /nfs/dbraw/zinc/23/73/22/1068237322.db2.gz LNYYXTNSMKFQTQ-JOCHJYFZSA-N 1 0 451.589 0.482 20 0 JCADRO CO[C@@]1(CO)CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC001171847453 1068237240 /nfs/dbraw/zinc/23/72/40/1068237240.db2.gz LNYYXTNSMKFQTQ-QFIPXVFZSA-N 1 0 451.589 0.482 20 0 JCADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC001171853690 1068237212 /nfs/dbraw/zinc/23/72/12/1068237212.db2.gz GXQPBLXDLLOTMC-FPZAFUISSA-N 1 0 451.476 0.898 20 0 JCADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC001171853691 1068237442 /nfs/dbraw/zinc/23/74/42/1068237442.db2.gz GXQPBLXDLLOTMC-LZRUTDMSSA-N 1 0 451.476 0.898 20 0 JCADRO CN1CC[NH+](C2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001171860068 1068237276 /nfs/dbraw/zinc/23/72/76/1068237276.db2.gz CUDFWLTWWMYKKK-UHFFFAOYSA-N 1 0 459.410 0.966 20 0 JCADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)CC1 ZINC001171860427 1068237125 /nfs/dbraw/zinc/23/71/25/1068237125.db2.gz HAHQSJZTVVHXCJ-UHFFFAOYSA-N 1 0 454.568 0.699 20 0 JCADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)CC2)CC1 ZINC001171862423 1068237496 /nfs/dbraw/zinc/23/74/96/1068237496.db2.gz ZJENBAFGDVZJPE-FQEVSTJZSA-N 1 0 450.605 0.996 20 0 JCADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)CC1 ZINC001171862424 1068237533 /nfs/dbraw/zinc/23/75/33/1068237533.db2.gz ZJENBAFGDVZJPE-HXUWFJFHSA-N 1 0 450.605 0.996 20 0 JCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171869629 1068237197 /nfs/dbraw/zinc/23/71/97/1068237197.db2.gz NAUHESUFJJNLLT-HMFTUFPWSA-N 1 0 467.530 0.312 20 0 JCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171869630 1068237360 /nfs/dbraw/zinc/23/73/60/1068237360.db2.gz NAUHESUFJJNLLT-PXBBLBRZSA-N 1 0 467.530 0.312 20 0 JCADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)[C@H]1O ZINC001171874240 1068236418 /nfs/dbraw/zinc/23/64/18/1068236418.db2.gz YNFBHMGJOGKJGB-OFHCFCQESA-N 1 0 495.584 0.796 20 0 JCADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)[C@H]1O ZINC001171874241 1068236540 /nfs/dbraw/zinc/23/65/40/1068236540.db2.gz YNFBHMGJOGKJGB-UYIYHOFSSA-N 1 0 495.584 0.796 20 0 JCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171881555 1068238250 /nfs/dbraw/zinc/23/82/50/1068238250.db2.gz ZCCCGMFBKCPNHF-WNRNVDISSA-N 1 0 467.530 0.650 20 0 JCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171881556 1068238267 /nfs/dbraw/zinc/23/82/67/1068238267.db2.gz ZCCCGMFBKCPNHF-XMTFNYHQSA-N 1 0 467.530 0.650 20 0 JCADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)C(N)=O ZINC001171884325 1068237175 /nfs/dbraw/zinc/23/71/75/1068237175.db2.gz CVRONQQYCSARBQ-BHVFFLMSSA-N 1 0 482.581 0.939 20 0 JCADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)C(N)=O ZINC001171884328 1068237474 /nfs/dbraw/zinc/23/74/74/1068237474.db2.gz CVRONQQYCSARBQ-QRRACGJLSA-N 1 0 482.581 0.939 20 0 JCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171885296 1068237102 /nfs/dbraw/zinc/23/71/02/1068237102.db2.gz LKLCVEBYINBGSK-BVSLBCMMSA-N 1 0 468.554 0.550 20 0 JCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171885297 1068237462 /nfs/dbraw/zinc/23/74/62/1068237462.db2.gz LKLCVEBYINBGSK-HJNYFJLDSA-N 1 0 468.554 0.550 20 0 JCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171885442 1068238141 /nfs/dbraw/zinc/23/81/41/1068238141.db2.gz MICVIMHBDILOSW-FKBYEOEOSA-N 1 0 452.555 0.845 20 0 JCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171885443 1068238128 /nfs/dbraw/zinc/23/81/28/1068238128.db2.gz MICVIMHBDILOSW-FSSWDIPSSA-N 1 0 452.555 0.845 20 0 JCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)[C@H]1O ZINC001171886863 1068237965 /nfs/dbraw/zinc/23/79/65/1068237965.db2.gz RXOSVCVTROHWGG-HMFTUFPWSA-N 1 0 467.530 0.312 20 0 JCADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)[C@H]1O ZINC001171886864 1068238243 /nfs/dbraw/zinc/23/82/43/1068238243.db2.gz RXOSVCVTROHWGG-PXBBLBRZSA-N 1 0 467.530 0.312 20 0 JCADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001171906537 1068238219 /nfs/dbraw/zinc/23/82/19/1068238219.db2.gz MCQOXMXNLUJMDZ-HQRMLTQVSA-N 1 0 455.577 0.802 20 0 JCADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001171906538 1068238110 /nfs/dbraw/zinc/23/81/10/1068238110.db2.gz MCQOXMXNLUJMDZ-ILZDJORESA-N 1 0 455.577 0.802 20 0 JCADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001171906539 1068238007 /nfs/dbraw/zinc/23/80/07/1068238007.db2.gz MCQOXMXNLUJMDZ-POAQFYNOSA-N 1 0 455.577 0.802 20 0 JCADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001171906540 1068237981 /nfs/dbraw/zinc/23/79/81/1068237981.db2.gz MCQOXMXNLUJMDZ-YVWKXTFCSA-N 1 0 455.577 0.802 20 0 JCADRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001171920887 1068237402 /nfs/dbraw/zinc/23/74/02/1068237402.db2.gz CNAFMBGPMQINPW-ZPQVWODMSA-N 1 0 490.601 0.900 20 0 JCADRO CCOC(=O)C1(C)CCC([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CC1 ZINC001171941558 1068238662 /nfs/dbraw/zinc/23/86/62/1068238662.db2.gz ZYSBAGZVMPQHSM-BGCOPUNYSA-N 1 0 462.551 0.613 20 0 JCADRO O=C(CN1CCC([NH+]2CCOCC2)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001171941843 1068239045 /nfs/dbraw/zinc/23/90/45/1068239045.db2.gz DLEYTFHWVCWHOH-UHFFFAOYSA-N 1 0 452.577 0.443 20 0 JCADRO CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001171948382 1068238618 /nfs/dbraw/zinc/23/86/18/1068238618.db2.gz HLHLGTLGXREFQP-BUPBMGDUSA-N 1 0 476.574 0.511 20 0 JCADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171990227 1068239856 /nfs/dbraw/zinc/23/98/56/1068239856.db2.gz MPGHXHONGVLGGT-KRWDZBQOSA-N 1 0 466.380 0.600 20 0 JCADRO O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+]C2CCN(c3ccc(Br)cc3)CC2)c(=O)[nH]1 ZINC001171991711 1068239445 /nfs/dbraw/zinc/23/94/45/1068239445.db2.gz FRSAQTSPFSGRJE-NXWXRZEISA-N 1 0 481.347 0.589 20 0 JCADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171992910 1068239782 /nfs/dbraw/zinc/23/97/82/1068239782.db2.gz QXACZWUYWVBHOY-UHFFFAOYSA-N 1 0 455.353 0.803 20 0 JCADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N([C@@H]1CCN(C2CC2)C(=O)C1)S(N)(=O)=O ZINC001172002973 1068239800 /nfs/dbraw/zinc/23/98/00/1068239800.db2.gz QXHLOZJEVOSLJW-GFCCVEGCSA-N 1 0 474.638 0.708 20 0 JCADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N([C@H]1CCN(C2CC2)C(=O)C1)S(N)(=O)=O ZINC001172002976 1068239513 /nfs/dbraw/zinc/23/95/13/1068239513.db2.gz QXHLOZJEVOSLJW-LBPRGKRZSA-N 1 0 474.638 0.708 20 0 JCADRO COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@H]1CCN(C2CC2)C(=O)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001172005305 1068239717 /nfs/dbraw/zinc/23/97/17/1068239717.db2.gz MWMDHMSMQCLNLF-HKUYNNGSSA-N 1 0 479.603 0.944 20 0 JCADRO COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@@H]1CCN(C2CC2)C(=O)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001172005315 1068239882 /nfs/dbraw/zinc/23/98/82/1068239882.db2.gz MWMDHMSMQCLNLF-MJGOQNOKSA-N 1 0 479.603 0.944 20 0 JCADRO NC(=O)[C@H](Cc1cn([C@@H]2CCN(C3CC3)C(=O)C2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001172006200 1068239595 /nfs/dbraw/zinc/23/95/95/1068239595.db2.gz CZGYXOHXKXQHDQ-GIVPXCGWSA-N 1 0 477.569 0.773 20 0 JCADRO NC(=O)[C@H](Cc1cn([C@H]2CCN(C3CC3)C(=O)C2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001172006209 1068239539 /nfs/dbraw/zinc/23/95/39/1068239539.db2.gz CZGYXOHXKXQHDQ-JBACZVJFSA-N 1 0 477.569 0.773 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172008390 1068239483 /nfs/dbraw/zinc/23/94/83/1068239483.db2.gz IFVNNBWHEROTIR-HOCLYGCPSA-N 1 0 461.523 0.002 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172008401 1068239832 /nfs/dbraw/zinc/23/98/32/1068239832.db2.gz IFVNNBWHEROTIR-ZBFHGGJFSA-N 1 0 461.523 0.002 20 0 JCADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008995 1068239739 /nfs/dbraw/zinc/23/97/39/1068239739.db2.gz WAMUTUWOCFLDMQ-LEOXJPRUSA-N 1 0 480.565 0.965 20 0 JCADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008996 1068239669 /nfs/dbraw/zinc/23/96/69/1068239669.db2.gz WAMUTUWOCFLDMQ-TZYHBYERSA-N 1 0 480.565 0.965 20 0 JCADRO COCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172011060 1068239871 /nfs/dbraw/zinc/23/98/71/1068239871.db2.gz CPSPRFPUZMYJGF-NRFANRHFSA-N 1 0 476.611 0.475 20 0 JCADRO COCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172011069 1068239824 /nfs/dbraw/zinc/23/98/24/1068239824.db2.gz 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COC(=O)CCCC[C@@H](C)[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001173442911 1068270891 /nfs/dbraw/zinc/27/08/91/1068270891.db2.gz KWIDGGGPHKVQMO-IKGGRYGDSA-N 1 0 460.641 0.952 20 0 JCADRO COC(=O)CCCC[C@H](C)[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001173442912 1068271086 /nfs/dbraw/zinc/27/10/86/1068271086.db2.gz KWIDGGGPHKVQMO-ULQDDVLXSA-N 1 0 460.641 0.952 20 0 JCADRO COC(=O)CCCC[C@@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001173443690 1068270802 /nfs/dbraw/zinc/27/08/02/1068270802.db2.gz ZFAMAHLPEFCKQP-HLLBOEOZSA-N 1 0 496.565 0.331 20 0 JCADRO COC(=O)CCCC[C@@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001173443695 1068270855 /nfs/dbraw/zinc/27/08/55/1068270855.db2.gz ZFAMAHLPEFCKQP-VYDXJSESSA-N 1 0 496.565 0.331 20 0 JCADRO COC(=O)CCCC[C@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001173443697 1068270941 /nfs/dbraw/zinc/27/09/41/1068270941.db2.gz ZFAMAHLPEFCKQP-YQQAZPJKSA-N 1 0 496.565 0.331 20 0 JCADRO COC(=O)CCCC[C@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001173443699 1068271095 /nfs/dbraw/zinc/27/10/95/1068271095.db2.gz ZFAMAHLPEFCKQP-ZOBUZTSGSA-N 1 0 496.565 0.331 20 0 JCADRO COC(=O)CCCC[C@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001173447496 1068270823 /nfs/dbraw/zinc/27/08/23/1068270823.db2.gz DTIOCCDQRBCKDM-MPGHIAIKSA-N 1 0 450.536 0.121 20 0 JCADRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001173447497 1068270982 /nfs/dbraw/zinc/27/09/82/1068270982.db2.gz DTIOCCDQRBCKDM-VKJFTORMSA-N 1 0 450.536 0.121 20 0 JCADRO COC(=O)CCCC[C@@H](C)n1cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1 ZINC001173450276 1068271123 /nfs/dbraw/zinc/27/11/23/1068271123.db2.gz YQYLFOYWRLVEDX-XPGWFJOJSA-N 1 0 459.547 0.966 20 0 JCADRO COC(=O)CCCC[C@H](C)n1cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1 ZINC001173450291 1068270839 /nfs/dbraw/zinc/27/08/39/1068270839.db2.gz YQYLFOYWRLVEDX-YSSFQJQWSA-N 1 0 459.547 0.966 20 0 JCADRO Cc1cn(CC(=O)NCC[NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)c(=O)[nH]c1=O ZINC001173463414 1068270963 /nfs/dbraw/zinc/27/09/63/1068270963.db2.gz HDKCRJPMWGKKOR-UHFFFAOYSA-N 1 0 457.531 0.171 20 0 JCADRO Cc1cn([C@H]2C[C@H]([NH2+]C3CCN(CC(=O)OCc4ccccc4)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001173463745 1068270903 /nfs/dbraw/zinc/27/09/03/1068270903.db2.gz QKCXNIMQRCNPHK-PWRODBHTSA-N 1 0 472.542 0.703 20 0 JCADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173463777 1068270788 /nfs/dbraw/zinc/27/07/88/1068270788.db2.gz RFOSODUFSWGQQO-IPMKNSEASA-N 1 0 497.556 0.163 20 0 JCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173465138 1068270878 /nfs/dbraw/zinc/27/08/78/1068270878.db2.gz AWFNMMZTTJJIIB-QFIPXVFZSA-N 1 0 452.555 0.997 20 0 JCADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173465321 1068271030 /nfs/dbraw/zinc/27/10/30/1068271030.db2.gz FGIBZDPVLFQRCU-VXKWHMMOSA-N 1 0 482.585 0.610 20 0 JCADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173466446 1068271784 /nfs/dbraw/zinc/27/17/84/1068271784.db2.gz LPAPIKIQLPJXPL-BZSNNMDCSA-N 1 0 476.574 0.355 20 0 JCADRO NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173466695 1068271814 /nfs/dbraw/zinc/27/18/14/1068271814.db2.gz NZIMQJLWSZIOBK-QFIPXVFZSA-N 1 0 468.554 0.702 20 0 JCADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173467105 1068271796 /nfs/dbraw/zinc/27/17/96/1068271796.db2.gz UVBYJLPXTVCSNV-GOTSBHOMSA-N 1 0 498.580 0.063 20 0 JCADRO NC(=O)CNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173467116 1068271481 /nfs/dbraw/zinc/27/14/81/1068271481.db2.gz VFUDPJPAJMGPDC-QFIPXVFZSA-N 1 0 452.555 0.997 20 0 JCADRO COC(=O)[C@H](CCCC[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1)NC(=O)CNC(C)=O ZINC001173467223 1068271587 /nfs/dbraw/zinc/27/15/87/1068271587.db2.gz YMQLGTVIVYSEPI-QFIPXVFZSA-N 1 0 490.601 0.748 20 0 JCADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173467237 1068271513 /nfs/dbraw/zinc/27/15/13/1068271513.db2.gz ZPGGALUWHUHSRO-QFIPXVFZSA-N 1 0 468.554 0.702 20 0 JCADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173467250 1068271827 /nfs/dbraw/zinc/27/18/27/1068271827.db2.gz ZYZGWRNVICEMNI-GOTSBHOMSA-N 1 0 482.581 0.358 20 0 JCADRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](C1CCN(CC(=O)OCc3ccccc3)CC1)CCC2 ZINC001173467534 1068271731 /nfs/dbraw/zinc/27/17/31/1068271731.db2.gz DYVXHNFYAGEMNZ-UHFFFAOYSA-N 1 0 497.596 0.919 20 0 JCADRO CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173468222 1068271521 /nfs/dbraw/zinc/27/15/21/1068271521.db2.gz SBIWPMYUCUTYJJ-UHFFFAOYSA-N 1 0 475.615 0.998 20 0 JCADRO C[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001173480137 1068271150 /nfs/dbraw/zinc/27/11/50/1068271150.db2.gz QMYCKZTWWMRTCW-YUNKPMOVSA-N 1 0 460.481 0.445 20 0 JCADRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CCN1C(=O)c1ccccc1 ZINC001173494335 1068275334 /nfs/dbraw/zinc/27/53/34/1068275334.db2.gz WXWBYHLVFGBGTN-CENDIDJXSA-N 1 0 486.525 0.342 20 0 JCADRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CCN1C(=O)c1ccccc1 ZINC001173494342 1068275154 /nfs/dbraw/zinc/27/51/54/1068275154.db2.gz WXWBYHLVFGBGTN-LCWAXJCOSA-N 1 0 486.525 0.342 20 0 JCADRO COC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CCN1C(=O)c1ccccc1 ZINC001173494348 1068275384 /nfs/dbraw/zinc/27/53/84/1068275384.db2.gz WXWBYHLVFGBGTN-USYVTKNRSA-N 1 0 486.525 0.342 20 0 JCADRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CCN1C(=O)c1ccccc1 ZINC001173494354 1068275321 /nfs/dbraw/zinc/27/53/21/1068275321.db2.gz WXWBYHLVFGBGTN-WKWVNEEDSA-N 1 0 486.525 0.342 20 0 JCADRO 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ZINC001173509344 1068276194 /nfs/dbraw/zinc/27/61/94/1068276194.db2.gz MUPAPEIZZVKXCW-QUCCMNQESA-N 1 0 489.598 0.637 20 0 JCADRO COC(=O)[C@H]1C[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CCN1C(=O)c1ccccc1 ZINC001173509346 1068276025 /nfs/dbraw/zinc/27/60/25/1068276025.db2.gz MUPAPEIZZVKXCW-UYAOXDASSA-N 1 0 489.598 0.637 20 0 JCADRO COC(=O)[C@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509398 1068276159 /nfs/dbraw/zinc/27/61/59/1068276159.db2.gz RSXWRJBCOIPGBX-BVOGOJNSSA-N 1 0 496.568 0.248 20 0 JCADRO COC(=O)[C@@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509411 1068276228 /nfs/dbraw/zinc/27/62/28/1068276228.db2.gz RSXWRJBCOIPGBX-HZEGPAAWSA-N 1 0 496.568 0.248 20 0 JCADRO COC(=O)[C@@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509417 1068275963 /nfs/dbraw/zinc/27/59/63/1068275963.db2.gz RSXWRJBCOIPGBX-VMXMFDLUSA-N 1 0 496.568 0.248 20 0 JCADRO 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1 0 466.564 0.941 20 0 JCADRO C[N@H+](C1CN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)C1)[C@H]1CCOC1 ZINC001176414847 1068342549 /nfs/dbraw/zinc/34/25/49/1068342549.db2.gz FUVSKVAGSHUKMU-DOTOQJQBSA-N 1 0 461.567 0.503 20 0 JCADRO C[N@H+](C1CN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)C1)[C@H]1CCOC1 ZINC001176414848 1068342205 /nfs/dbraw/zinc/34/22/05/1068342205.db2.gz FUVSKVAGSHUKMU-RDJZCZTQSA-N 1 0 461.567 0.503 20 0 JCADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001176415266 1068342493 /nfs/dbraw/zinc/34/24/93/1068342493.db2.gz IILYWCHVSLFVGC-CEXWTWQISA-N 1 0 487.605 0.893 20 0 JCADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001176415268 1068342248 /nfs/dbraw/zinc/34/22/48/1068342248.db2.gz IILYWCHVSLFVGC-OTWHNJEPSA-N 1 0 487.605 0.893 20 0 JCADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001176415649 1068342744 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/nfs/dbraw/zinc/34/33/40/1068343340.db2.gz OSVJOIQEHIMHGD-SFHVURJKSA-N 1 0 475.594 0.895 20 0 JCADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416163 1068343967 /nfs/dbraw/zinc/34/39/67/1068343967.db2.gz PPKCDWQFQGIMLO-CEXWTWQISA-N 1 0 488.637 0.808 20 0 JCADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416164 1068343887 /nfs/dbraw/zinc/34/38/87/1068343887.db2.gz PPKCDWQFQGIMLO-GBESFXJTSA-N 1 0 488.637 0.808 20 0 JCADRO CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176416752 1068344302 /nfs/dbraw/zinc/34/43/02/1068344302.db2.gz VTRFFNQQHOBDRF-KRWDZBQOSA-N 1 0 477.610 0.877 20 0 JCADRO CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176416753 1068344508 /nfs/dbraw/zinc/34/45/08/1068344508.db2.gz VTRFFNQQHOBDRF-QGZVFWFLSA-N 1 0 477.610 0.877 20 0 JCADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001176416897 1068344471 /nfs/dbraw/zinc/34/44/71/1068344471.db2.gz XCFADFREKIKJBJ-HNNXBMFYSA-N 1 0 455.523 0.367 20 0 JCADRO CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001176416898 1068344412 /nfs/dbraw/zinc/34/44/12/1068344412.db2.gz XCFADFREKIKJBJ-OAHLLOKOSA-N 1 0 455.523 0.367 20 0 JCADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001176417043 1068344764 /nfs/dbraw/zinc/34/47/64/1068344764.db2.gz XOXABIXKYFSTQU-MSOLQXFVSA-N 1 0 499.620 0.988 20 0 JCADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001176417049 1068344955 /nfs/dbraw/zinc/34/49/55/1068344955.db2.gz XOXABIXKYFSTQU-QZTJIDSGSA-N 1 0 499.620 0.988 20 0 JCADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001176417052 1068345086 /nfs/dbraw/zinc/34/50/86/1068345086.db2.gz XOXABIXKYFSTQU-ROUUACIJSA-N 1 0 499.620 0.988 20 0 JCADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001176417057 1068345025 /nfs/dbraw/zinc/34/50/25/1068345025.db2.gz XOXABIXKYFSTQU-ZWKOTPCHSA-N 1 0 499.620 0.988 20 0 JCADRO COCCC1([NH3+])CCN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176443129 1068339208 /nfs/dbraw/zinc/33/92/08/1068339208.db2.gz MVUQCEXXJXKJTB-INIZCTEOSA-N 1 0 463.583 0.928 20 0 JCADRO COCCC1([NH3+])CCN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176443130 1068339310 /nfs/dbraw/zinc/33/93/10/1068339310.db2.gz MVUQCEXXJXKJTB-MRXNPFEDSA-N 1 0 463.583 0.928 20 0 JCADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176444409 1068339999 /nfs/dbraw/zinc/33/99/99/1068339999.db2.gz RNLVGYPKHHGYHX-CVEARBPZSA-N 1 0 488.549 0.585 20 0 JCADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176444414 1068340093 /nfs/dbraw/zinc/34/00/93/1068340093.db2.gz RNLVGYPKHHGYHX-HOTGVXAUSA-N 1 0 488.549 0.585 20 0 JCADRO C[N@@H+]1CCCN(CCNC(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176444481 1068339779 /nfs/dbraw/zinc/33/97/79/1068339779.db2.gz RZSSYJVNYBBYKA-KRWDZBQOSA-N 1 0 462.599 0.325 20 0 JCADRO C[N@@H+]1CCCN(CCNC(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176444488 1068339825 /nfs/dbraw/zinc/33/98/25/1068339825.db2.gz RZSSYJVNYBBYKA-QGZVFWFLSA-N 1 0 462.599 0.325 20 0 JCADRO CCOC(=O)C1(NC(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC[NH+](C)CC1 ZINC001176444540 1068340471 /nfs/dbraw/zinc/34/04/71/1068340471.db2.gz SHIFVGNXSVAYEG-INIZCTEOSA-N 1 0 491.593 0.715 20 0 JCADRO CCOC(=O)C1(NC(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC[NH+](C)CC1 ZINC001176444542 1068340700 /nfs/dbraw/zinc/34/07/00/1068340700.db2.gz SHIFVGNXSVAYEG-MRXNPFEDSA-N 1 0 491.593 0.715 20 0 JCADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)O1 ZINC001176445060 1068340526 /nfs/dbraw/zinc/34/05/26/1068340526.db2.gz WNEJSDPMHXHVDB-BVIKNXMNSA-N 1 0 479.582 0.413 20 0 JCADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)O1 ZINC001176445061 1068340359 /nfs/dbraw/zinc/34/03/59/1068340359.db2.gz WNEJSDPMHXHVDB-KONPQCLYSA-N 1 0 479.582 0.413 20 0 JCADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)O1 ZINC001176445062 1068340684 /nfs/dbraw/zinc/34/06/84/1068340684.db2.gz WNEJSDPMHXHVDB-LHHMISFZSA-N 1 0 479.582 0.413 20 0 JCADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)O1 ZINC001176445063 1068340372 /nfs/dbraw/zinc/34/03/72/1068340372.db2.gz WNEJSDPMHXHVDB-YFHUEUNASA-N 1 0 479.582 0.413 20 0 JCADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176446612 1068345534 /nfs/dbraw/zinc/34/55/34/1068345534.db2.gz QQPPJNYMYCZKCY-INIZCTEOSA-N 1 0 491.593 0.845 20 0 JCADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2Cn3nnnc3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001176446614 1068345546 /nfs/dbraw/zinc/34/55/46/1068345546.db2.gz 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ZINC001176761642 1068367934 /nfs/dbraw/zinc/36/79/34/1068367934.db2.gz BKOFBEIKHFNMRM-PMACEKPBSA-N 1 0 469.542 0.413 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CNC(=O)CO2)Cn2ccnc23)cc1 ZINC001176761643 1068367734 /nfs/dbraw/zinc/36/77/34/1068367734.db2.gz BKOFBEIKHFNMRM-UXHICEINSA-N 1 0 469.542 0.413 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CNC(=O)CO2)Cn2ccnc23)cc1 ZINC001176761644 1068367891 /nfs/dbraw/zinc/36/78/91/1068367891.db2.gz BKOFBEIKHFNMRM-VQTJNVASSA-N 1 0 469.542 0.413 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CNC(=O)CO2)Cn2ccnc23)cc1 ZINC001176761645 1068367675 /nfs/dbraw/zinc/36/76/75/1068367675.db2.gz BKOFBEIKHFNMRM-WOJBJXKFSA-N 1 0 469.542 0.413 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N[C@@H]2CCC(=O)NC2=O)Cn2ccnc23)cc1 ZINC001176761708 1068367725 /nfs/dbraw/zinc/36/77/25/1068367725.db2.gz CCGACEHRGKSDHV-MOPGFXCFSA-N 1 0 467.526 0.703 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N[C@H]2CCC(=O)NC2=O)Cn2ccnc23)cc1 ZINC001176761710 1068367826 /nfs/dbraw/zinc/36/78/26/1068367826.db2.gz CCGACEHRGKSDHV-OALUTQOASA-N 1 0 467.526 0.703 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N[C@H]2CCC(=O)NC2=O)Cn2ccnc23)cc1 ZINC001176761712 1068368417 /nfs/dbraw/zinc/36/84/17/1068368417.db2.gz CCGACEHRGKSDHV-RBUKOAKNSA-N 1 0 467.526 0.703 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N[C@@H]2CCC(=O)NC2=O)Cn2ccnc23)cc1 ZINC001176761714 1068368340 /nfs/dbraw/zinc/36/83/40/1068368340.db2.gz CCGACEHRGKSDHV-RTBURBONSA-N 1 0 467.526 0.703 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCCS(C)(=O)=O)Cn2ccnc23)cc1 ZINC001176762190 1068368525 /nfs/dbraw/zinc/36/85/25/1068368525.db2.gz JRFRAGDTWSMPFS-IBGZPJMESA-N 1 0 462.572 0.943 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCCS(C)(=O)=O)Cn2ccnc23)cc1 ZINC001176762191 1068368608 /nfs/dbraw/zinc/36/86/08/1068368608.db2.gz JRFRAGDTWSMPFS-LJQANCHMSA-N 1 0 462.572 0.943 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2C[C@H](O)C[C@@H]2CO)Cn2ccnc23)cc1 ZINC001176762299 1068368553 /nfs/dbraw/zinc/36/85/53/1068368553.db2.gz JGSCYLOOSZLTQC-SBHAEUEKSA-N 1 0 456.543 0.736 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2C[C@H](O)C[C@@H]2CO)Cn2ccnc23)cc1 ZINC001176762305 1068368397 /nfs/dbraw/zinc/36/83/97/1068368397.db2.gz JGSCYLOOSZLTQC-SFHLNBCPSA-N 1 0 456.543 0.736 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC2CN(S(C)(=O)=O)C2)Cn2ccnc23)cc1 ZINC001176762306 1068368657 /nfs/dbraw/zinc/36/86/57/1068368657.db2.gz JHPADZDASPAZQB-FQEVSTJZSA-N 1 0 489.598 0.542 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC2CN(S(C)(=O)=O)C2)Cn2ccnc23)cc1 ZINC001176762308 1068368442 /nfs/dbraw/zinc/36/84/42/1068368442.db2.gz JHPADZDASPAZQB-HXUWFJFHSA-N 1 0 489.598 0.542 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC(NS(C)(=O)=O)C2)Cn2ccnc23)cc1 ZINC001176762351 1068368701 /nfs/dbraw/zinc/36/87/01/1068368701.db2.gz LBXVDPFHWNJUAX-FQEVSTJZSA-N 1 0 489.598 0.542 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CC(NS(C)(=O)=O)C2)Cn2ccnc23)cc1 ZINC001176762353 1068368498 /nfs/dbraw/zinc/36/84/98/1068368498.db2.gz LBXVDPFHWNJUAX-HXUWFJFHSA-N 1 0 489.598 0.542 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@@H](CO)[C@@H](O)C2)Cn2ccnc23)cc1 ZINC001176762381 1068368319 /nfs/dbraw/zinc/36/83/19/1068368319.db2.gz LOUQLINNIOALQA-BVSLBCMMSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@H](CO)[C@H](O)C2)Cn2ccnc23)cc1 ZINC001176762382 1068368467 /nfs/dbraw/zinc/36/84/67/1068368467.db2.gz LOUQLINNIOALQA-FCEUIQTBSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@H](CO)[C@@H](O)C2)Cn2ccnc23)cc1 ZINC001176762383 1068368358 /nfs/dbraw/zinc/36/83/58/1068368358.db2.gz LOUQLINNIOALQA-HJNYFJLDSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@@H](CO)[C@H](O)C2)Cn2ccnc23)cc1 ZINC001176762384 1068368264 /nfs/dbraw/zinc/36/82/64/1068368264.db2.gz LOUQLINNIOALQA-NNWRFLSQSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCO[C@H](C(N)=O)C2)Cn2ccnc23)cc1 ZINC001176762774 1068368637 /nfs/dbraw/zinc/36/86/37/1068368637.db2.gz MXPOGKSPRUVKTF-PMACEKPBSA-N 1 0 469.542 0.495 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCO[C@@H](C(N)=O)C2)Cn2ccnc23)cc1 ZINC001176762779 1068368723 /nfs/dbraw/zinc/36/87/23/1068368723.db2.gz MXPOGKSPRUVKTF-UXHICEINSA-N 1 0 469.542 0.495 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCO[C@H](C(N)=O)C2)Cn2ccnc23)cc1 ZINC001176762781 1068368581 /nfs/dbraw/zinc/36/85/81/1068368581.db2.gz MXPOGKSPRUVKTF-VQTJNVASSA-N 1 0 469.542 0.495 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCO[C@@H](C(N)=O)C2)Cn2ccnc23)cc1 ZINC001176762783 1068368683 /nfs/dbraw/zinc/36/86/83/1068368683.db2.gz MXPOGKSPRUVKTF-WOJBJXKFSA-N 1 0 469.542 0.495 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCN4C(=O)COC[C@H]4C2)Cn2ccnc23)cc1 ZINC001176762817 1068368289 /nfs/dbraw/zinc/36/82/89/1068368289.db2.gz NBSVNVDUWSYTNV-IFMALSPDSA-N 1 0 495.580 0.851 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCN4C(=O)COC[C@H]4C2)Cn2ccnc23)cc1 ZINC001176762819 1068368377 /nfs/dbraw/zinc/36/83/77/1068368377.db2.gz NBSVNVDUWSYTNV-IRLDBZIGSA-N 1 0 495.580 0.851 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCN4C(=O)COC[C@@H]4C2)Cn2ccnc23)cc1 ZINC001176762821 1068369143 /nfs/dbraw/zinc/36/91/43/1068369143.db2.gz NBSVNVDUWSYTNV-RBBKRZOGSA-N 1 0 495.580 0.851 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCN4C(=O)COC[C@@H]4C2)Cn2ccnc23)cc1 ZINC001176762823 1068369391 /nfs/dbraw/zinc/36/93/91/1068369391.db2.gz NBSVNVDUWSYTNV-UNMCSNQZSA-N 1 0 495.580 0.851 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@H](O)[C@H](CO)C2)Cn2ccnc23)cc1 ZINC001176763301 1068369215 /nfs/dbraw/zinc/36/92/15/1068369215.db2.gz PRWZOKXGPKTOBC-BVSLBCMMSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@@H](O)[C@@H](CO)C2)Cn2ccnc23)cc1 ZINC001176763304 1068369330 /nfs/dbraw/zinc/36/93/30/1068369330.db2.gz PRWZOKXGPKTOBC-FCEUIQTBSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@H](O)[C@@H](CO)C2)Cn2ccnc23)cc1 ZINC001176763307 1068369248 /nfs/dbraw/zinc/36/92/48/1068369248.db2.gz PRWZOKXGPKTOBC-HJNYFJLDSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC[C@@H](O)[C@H](CO)C2)Cn2ccnc23)cc1 ZINC001176763310 1068369113 /nfs/dbraw/zinc/36/91/13/1068369113.db2.gz PRWZOKXGPKTOBC-NNWRFLSQSA-N 1 0 470.570 0.984 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)Nc2c(N)c(=O)c2=O)Cn2ccnc23)cc1 ZINC001176764100 1068368908 /nfs/dbraw/zinc/36/89/08/1068368908.db2.gz WJELTZZPRJEPJI-INIZCTEOSA-N 1 0 451.483 0.599 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)Nc2c(N)c(=O)c2=O)Cn2ccnc23)cc1 ZINC001176764101 1068368877 /nfs/dbraw/zinc/36/88/77/1068368877.db2.gz WJELTZZPRJEPJI-MRXNPFEDSA-N 1 0 451.483 0.599 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CC(N4CCNC(=O)C4)C2)Cn2ccnc23)cc1 ZINC001176764649 1068369176 /nfs/dbraw/zinc/36/91/76/1068369176.db2.gz XLAPDZQKERWNQG-JOCHJYFZSA-N 1 0 494.596 0.424 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CC(N4CCNC(=O)C4)C2)Cn2ccnc23)cc1 ZINC001176764655 1068368972 /nfs/dbraw/zinc/36/89/72/1068368972.db2.gz XLAPDZQKERWNQG-QFIPXVFZSA-N 1 0 494.596 0.424 20 0 JCADRO COC(=O)[C@@H](NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)O1)[C@@H](C)O ZINC001176765519 1068370043 /nfs/dbraw/zinc/37/00/43/1068370043.db2.gz QCBNARLDNIQRHC-AHRSYUTCSA-N 1 0 472.542 0.820 20 0 JCADRO COC(=O)[C@@H](NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)O1)[C@@H](C)O ZINC001176765520 1068369935 /nfs/dbraw/zinc/36/99/35/1068369935.db2.gz QCBNARLDNIQRHC-UXPWSPDFSA-N 1 0 472.542 0.820 20 0 JCADRO COC(=O)CNC(=O)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)O1 ZINC001176765857 1068369756 /nfs/dbraw/zinc/36/97/56/1068369756.db2.gz RTZLUBDAEGTHKS-IBGZPJMESA-N 1 0 485.541 0.187 20 0 JCADRO COC(=O)CNC(=O)CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)O1 ZINC001176765859 1068370111 /nfs/dbraw/zinc/37/01/11/1068370111.db2.gz RTZLUBDAEGTHKS-LJQANCHMSA-N 1 0 485.541 0.187 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCCS(=O)(=O)N(C)C)Cn2ccnc23)cc1 ZINC001176765862 1068369797 /nfs/dbraw/zinc/36/97/97/1068369797.db2.gz RVOWALZYNOYGHS-FQEVSTJZSA-N 1 0 491.614 0.789 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCCS(=O)(=O)N(C)C)Cn2ccnc23)cc1 ZINC001176765865 1068369831 /nfs/dbraw/zinc/36/98/31/1068369831.db2.gz RVOWALZYNOYGHS-HXUWFJFHSA-N 1 0 491.614 0.789 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC2CN(C4COC4)C2)Cn2ccnc23)cc1 ZINC001176766816 1068370566 /nfs/dbraw/zinc/37/05/66/1068370566.db2.gz WCPWRFKEVZHLIS-JOCHJYFZSA-N 1 0 467.570 0.981 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC2CN(C4COC4)C2)Cn2ccnc23)cc1 ZINC001176766818 1068370682 /nfs/dbraw/zinc/37/06/82/1068370682.db2.gz WCPWRFKEVZHLIS-QFIPXVFZSA-N 1 0 467.570 0.981 20 0 JCADRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)Cn2ccnc23)cc1 ZINC001176766853 1068370789 /nfs/dbraw/zinc/37/07/89/1068370789.db2.gz 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ZINC001177356276 1068418893 /nfs/dbraw/zinc/41/88/93/1068418893.db2.gz OBBYZVAHCGDRKL-GOSISDBHSA-N 1 0 493.586 0.708 20 0 JCADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001177362620 1068419576 /nfs/dbraw/zinc/41/95/76/1068419576.db2.gz OFMQINVTBBNFBV-RUZDIDTESA-N 1 0 452.555 0.905 20 0 JCADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001177362623 1068419479 /nfs/dbraw/zinc/41/94/79/1068419479.db2.gz OFMQINVTBBNFBV-VWLOTQADSA-N 1 0 452.555 0.905 20 0 JCADRO Cn1ccc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1CC(=O)[O-] ZINC001177369876 1068417297 /nfs/dbraw/zinc/41/72/97/1068417297.db2.gz WCMKOPVQVVOPJM-PPMULLMPSA-N 1 0 454.568 0.561 20 0 JCADRO Cn1ccc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1CC(=O)[O-] ZINC001177369877 1068417127 /nfs/dbraw/zinc/41/71/27/1068417127.db2.gz WCMKOPVQVVOPJM-QHRIIHNWSA-N 1 0 454.568 0.561 20 0 JCADRO Cn1ccc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1CC(=O)[O-] ZINC001177369878 1068417174 /nfs/dbraw/zinc/41/71/74/1068417174.db2.gz WCMKOPVQVVOPJM-ZJCIDPRCSA-N 1 0 454.568 0.561 20 0 JCADRO Cn1ccc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1CC(=O)[O-] ZINC001177369879 1068418144 /nfs/dbraw/zinc/41/81/44/1068418144.db2.gz WCMKOPVQVVOPJM-ZXNATKAYSA-N 1 0 454.568 0.561 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)Cc3ncccn3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001177378088 1068417903 /nfs/dbraw/zinc/41/79/03/1068417903.db2.gz MSYIFBHOCSIJCK-NHCUHLMSSA-N 1 0 488.552 0.944 20 0 JCADRO Nc1cn(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)ccc1=[NH+]CCN1CCOCC1 ZINC001177391122 1068420407 /nfs/dbraw/zinc/42/04/07/1068420407.db2.gz ZDGLDPASEFSQJN-QFIPXVFZSA-N 1 0 475.553 0.775 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)CC2 ZINC001177392282 1068420955 /nfs/dbraw/zinc/42/09/55/1068420955.db2.gz JTMBNDGKMPFRDR-IBGZPJMESA-N 1 0 491.552 0.682 20 0 JCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)CC3)CC1 ZINC001177392485 1068421010 /nfs/dbraw/zinc/42/10/10/1068421010.db2.gz PWEPWCSIYWYHKJ-QFIPXVFZSA-N 1 0 488.596 0.804 20 0 JCADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 ZINC001177393568 1068421777 /nfs/dbraw/zinc/42/17/77/1068421777.db2.gz ZJRUUCKSQPSUHW-KRWDZBQOSA-N 1 0 484.538 0.440 20 0 JCADRO O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)c1cnccn1 ZINC001177397466 1068422500 /nfs/dbraw/zinc/42/25/00/1068422500.db2.gz ZNPRTGPMLDJXFB-NRFANRHFSA-N 1 0 494.577 0.764 20 0 JCADRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)CC1 ZINC001177397478 1068422702 /nfs/dbraw/zinc/42/27/02/1068422702.db2.gz ZXOZHLVYDYXHNQ-UFYCRDLUSA-N 1 0 452.559 0.923 20 0 JCADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)CCc1nncn1C)S(=O)(=O)c1ccc(C)cc1 ZINC001177432310 1068424132 /nfs/dbraw/zinc/42/41/32/1068424132.db2.gz FJZKCVWMDKSRNF-KRWDZBQOSA-N 1 0 451.549 0.944 20 0 JCADRO O=C(CCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)Nc1nncs1 ZINC001177447285 1068425461 /nfs/dbraw/zinc/42/54/61/1068425461.db2.gz OMCMXUDFHMCPFC-UONOGXRCSA-N 1 0 477.572 0.088 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCC(=O)Nc2nncs2)c2nonc21 ZINC001177453472 1068423232 /nfs/dbraw/zinc/42/32/32/1068423232.db2.gz QZOJUJUADNGFJM-UHFFFAOYSA-N 1 0 468.521 0.035 20 0 JCADRO Cc1cccnc1CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001177465119 1068423462 /nfs/dbraw/zinc/42/34/62/1068423462.db2.gz XHQCKFCKDLQPLF-CUWPLCDZSA-N 1 0 474.606 0.163 20 0 JCADRO Cc1ccnc(SCC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n1 ZINC001177497030 1068425686 /nfs/dbraw/zinc/42/56/86/1068425686.db2.gz LVFNRPOCNYXXOL-JKSUJKDBSA-N 1 0 460.585 0.709 20 0 JCADRO Cc1ccnc(SCC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n1 ZINC001177501750 1068426484 /nfs/dbraw/zinc/42/64/84/1068426484.db2.gz GYFJAOXQHQZJRS-UHFFFAOYSA-N 1 0 451.534 0.656 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)/C=C/c1nccs1)C(N)=O ZINC001177529817 1068427226 /nfs/dbraw/zinc/42/72/26/1068427226.db2.gz DFJCPVISDOFNPC-OTHZZTMOSA-N 1 0 478.619 0.387 20 0 JCADRO Cc1cc(N2CCC(C(=O)n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)CC2)ncn1 ZINC001177556700 1068431530 /nfs/dbraw/zinc/43/15/30/1068431530.db2.gz BIAFZXYJDBNQFD-VQTJNVASSA-N 1 0 497.625 0.833 20 0 JCADRO Cc1cc(N2CCC(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CCN4C)CC2)ncn1 ZINC001177556767 1068431680 /nfs/dbraw/zinc/43/16/80/1068431680.db2.gz CUUKLKPVIJYXPJ-UHFFFAOYSA-N 1 0 457.623 0.698 20 0 JCADRO Cc1cc(N2CCC(C(=O)N(CC[NH3+])c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)ncn1 ZINC001177562915 1068427900 /nfs/dbraw/zinc/42/79/00/1068427900.db2.gz VZHIQEIQUKRQTC-UHFFFAOYSA-N 1 0 488.574 0.780 20 0 JCADRO CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC001177565091 1068428554 /nfs/dbraw/zinc/42/85/54/1068428554.db2.gz DEGJSCCDDRNZCI-JOCHJYFZSA-N 1 0 450.587 0.949 20 0 JCADRO CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC001177565092 1068428673 /nfs/dbraw/zinc/42/86/73/1068428673.db2.gz DEGJSCCDDRNZCI-QFIPXVFZSA-N 1 0 450.587 0.949 20 0 JCADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001177573635 1068428706 /nfs/dbraw/zinc/42/87/06/1068428706.db2.gz OKEYZXPHPZCDIK-ICSRJNTNSA-N 1 0 464.588 0.428 20 0 JCADRO Cn1nnc2c1CCN(C(=O)COc1ncc(Br)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001177575420 1068429290 /nfs/dbraw/zinc/42/92/90/1068429290.db2.gz KLVBFNMFLYUSDW-INIZCTEOSA-N 1 0 480.367 0.985 20 0 JCADRO Cn1nnc2c1CCN(C(=O)COc1ncc(Br)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001177575421 1068429133 /nfs/dbraw/zinc/42/91/33/1068429133.db2.gz KLVBFNMFLYUSDW-MRXNPFEDSA-N 1 0 480.367 0.985 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)COc1ncc(Br)cn1)CC2 ZINC001177575706 1068429164 /nfs/dbraw/zinc/42/91/64/1068429164.db2.gz OTLSFDPEKOSGDL-UHFFFAOYSA-N 1 0 453.297 0.482 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)COc1ncc(Br)cn1)CC2 ZINC001177576092 1068429355 /nfs/dbraw/zinc/42/93/55/1068429355.db2.gz VNFGQINETVGBAG-UHFFFAOYSA-N 1 0 469.384 0.315 20 0 JCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)COc2ncc(Br)cn2)CC3)CC1 ZINC001177576170 1068430082 /nfs/dbraw/zinc/43/00/82/1068430082.db2.gz WZERZGGQXXYEQY-UHFFFAOYSA-N 1 0 450.341 0.604 20 0 JCADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001177580087 1068430883 /nfs/dbraw/zinc/43/08/83/1068430883.db2.gz VXOQQLNKUPOGSA-AYBZRNKSSA-N 1 0 452.577 0.460 20 0 JCADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001177580088 1068430967 /nfs/dbraw/zinc/43/09/67/1068430967.db2.gz VXOQQLNKUPOGSA-IEZWGBDMSA-N 1 0 452.577 0.460 20 0 JCADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NC[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2=O)c1 ZINC001177580132 1068431032 /nfs/dbraw/zinc/43/10/32/1068431032.db2.gz XHQUXQXVMDUAAY-QKLQHJQFSA-N 1 0 464.588 0.694 20 0 JCADRO 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0.924 20 0 JCADRO CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)C1 ZINC001179008926 1068522028 /nfs/dbraw/zinc/52/20/28/1068522028.db2.gz UYROCEHHKYSQGN-OYHNWAKOSA-N 1 0 455.552 0.924 20 0 JCADRO CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)C1 ZINC001179008927 1068521877 /nfs/dbraw/zinc/52/18/77/1068521877.db2.gz UYROCEHHKYSQGN-QRQCRPRQSA-N 1 0 455.552 0.924 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCn4c(CN5CCOCC5)nnc4C3)CC2)CC1 ZINC001179010062 1068522062 /nfs/dbraw/zinc/52/20/62/1068522062.db2.gz AHPHDEDULZFDKM-UHFFFAOYSA-N 1 0 459.595 0.175 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCn4c(CNC(=O)c5ccno5)cnc4C3)CC2)CC1 ZINC001179010069 1068522135 /nfs/dbraw/zinc/52/21/35/1068522135.db2.gz ASKUYQDPSCSQED-UHFFFAOYSA-N 1 0 483.573 0.866 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3C[C@@H]4[C@H](C3)OCCN4c3ccc(C)nn3)CC2)CC1 ZINC001179010079 1068521992 /nfs/dbraw/zinc/52/19/92/1068521992.db2.gz BFLKHKQSTFMLKA-YADHBBJMSA-N 1 0 456.591 0.924 20 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JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCCn4c(=O)cc(Cn5ccnc5)nc4C3)CC2)CC1 ZINC001179010126 1068522095 /nfs/dbraw/zinc/52/20/95/1068522095.db2.gz CTZWVVWGNZLGRV-UHFFFAOYSA-N 1 0 481.601 0.943 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCCn4nnc(Cn5ccnc5)c4C3)CC2)CC1 ZINC001179010135 1068522008 /nfs/dbraw/zinc/52/20/08/1068522008.db2.gz DAFRWLGXYHBJAX-UHFFFAOYSA-N 1 0 454.579 0.978 20 0 JCADRO COc1cc(OC)nc(CN2CCN(C(=O)C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)CC2)n1 ZINC001179010142 1068521981 /nfs/dbraw/zinc/52/19/81/1068521981.db2.gz DJGYLBFURZOVGH-UHFFFAOYSA-N 1 0 474.606 0.861 20 0 JCADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010378 1068521849 /nfs/dbraw/zinc/52/18/49/1068521849.db2.gz DRMAIMHVOLZLGV-DHLKQENFSA-N 1 0 478.634 0.964 20 0 JCADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010379 1068521952 /nfs/dbraw/zinc/52/19/52/1068521952.db2.gz DRMAIMHVOLZLGV-RCZVLFRGSA-N 1 0 478.634 0.964 20 0 JCADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010380 1068521924 /nfs/dbraw/zinc/52/19/24/1068521924.db2.gz DRMAIMHVOLZLGV-RDGATRHJSA-N 1 0 478.634 0.964 20 0 JCADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010382 1068522114 /nfs/dbraw/zinc/52/21/14/1068522114.db2.gz DRMAIMHVOLZLGV-WIOPSUGQSA-N 1 0 478.634 0.964 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCC4(CC3)CN(c3cncnc3)C(=O)CO4)CC2)CC1 ZINC001179010407 1068522174 /nfs/dbraw/zinc/52/21/74/1068522174.db2.gz FPYHZHARDNZKCO-UHFFFAOYSA-N 1 0 484.601 0.924 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)CC2)CC1 ZINC001179010420 1068522653 /nfs/dbraw/zinc/52/26/53/1068522653.db2.gz HUMPXWZKRCBUEQ-UHFFFAOYSA-N 1 0 473.578 0.182 20 0 JCADRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3C[C@H](NC(=O)c4nccn4C)[C@H]4OCCC[C@H]43)CC2)CC1 ZINC001179010463 1068522644 /nfs/dbraw/zinc/52/26/44/1068522644.db2.gz GWWJLQCPVRLZAQ-BHDDXSALSA-N 1 0 486.617 0.631 20 0 JCADRO 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/nfs/dbraw/zinc/59/41/92/1068594192.db2.gz BORWTZKQEGBYPV-UHFFFAOYSA-N 1 0 495.583 0.801 20 0 JCADRO CS(=O)(=O)c1ccc(CCC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)cc1 ZINC001180074591 1068594490 /nfs/dbraw/zinc/59/44/90/1068594490.db2.gz PDNQWGMAKBRBAJ-UHFFFAOYSA-N 1 0 451.570 0.969 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)Cn1c2ccccc2c2ccccc21 ZINC001180080394 1068594380 /nfs/dbraw/zinc/59/43/80/1068594380.db2.gz ZLNSPZKTOSJGAE-VPTAFFCTSA-N 1 0 489.492 0.201 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H](C)C(F)(F)F)C(N)=O ZINC001180093162 1068591816 /nfs/dbraw/zinc/59/18/16/1068591816.db2.gz JZOGFKFNYBPTSA-AESZEHBQSA-N 1 0 479.544 0.806 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H](C)C(F)(F)F)C(N)=O ZINC001180093165 1068592521 /nfs/dbraw/zinc/59/25/21/1068592521.db2.gz JZOGFKFNYBPTSA-JKQORVJESA-N 1 0 479.544 0.806 20 0 JCADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 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Cc1cc(F)cc(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC001181650362 1068709616 /nfs/dbraw/zinc/70/96/16/1068709616.db2.gz UMIKUQLHPJNUOO-ONTIZHBOSA-N 1 0 491.608 0.908 20 0 JCADRO C[NH+]1CCN(c2ccc(CCNC(=O)Cn3cc(Br)c(=O)[nH]c3=O)cc2)CC1 ZINC001181654831 1068709459 /nfs/dbraw/zinc/70/94/59/1068709459.db2.gz ULYPTJYUDUPSNK-UHFFFAOYSA-N 1 0 450.337 0.822 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@]1(F)Cl)C(N)=O ZINC001181673719 1068710072 /nfs/dbraw/zinc/71/00/72/1068710072.db2.gz NSKGFNHSSOAKDM-BINAMKIQSA-N 1 0 461.966 0.142 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@]1(F)Cl)C(N)=O ZINC001181673721 1068710201 /nfs/dbraw/zinc/71/02/01/1068710201.db2.gz NSKGFNHSSOAKDM-SLARRSDRSA-N 1 0 461.966 0.142 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@]1(F)Cl)C(N)=O ZINC001181673723 1068710150 /nfs/dbraw/zinc/71/01/50/1068710150.db2.gz NSKGFNHSSOAKDM-UEELHNSWSA-N 1 0 461.966 0.142 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@]1(F)Cl)C(N)=O ZINC001181673725 1068710027 /nfs/dbraw/zinc/71/00/27/1068710027.db2.gz NSKGFNHSSOAKDM-ZSORPBTDSA-N 1 0 461.966 0.142 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccc(=O)[nH]n3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001181703309 1068710189 /nfs/dbraw/zinc/71/01/89/1068710189.db2.gz GMICRUDBFGKJDF-HSALFYBXSA-N 1 0 490.524 0.828 20 0 JCADRO COc1cccc(N=c2ncn(C(=O)c3ccc(=O)[nH]n3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001181703327 1068710089 /nfs/dbraw/zinc/71/00/89/1068710089.db2.gz GMICRUDBFGKJDF-VAMGGRTRSA-N 1 0 490.524 0.828 20 0 JCADRO Cc1c(F)cccc1CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001181709173 1068710566 /nfs/dbraw/zinc/71/05/66/1068710566.db2.gz HFHACGFCBJFPLF-ONTIZHBOSA-N 1 0 491.608 0.908 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)Cc1cccc2[nH]ccc21)C(N)=O ZINC001181729499 1068710672 /nfs/dbraw/zinc/71/06/72/1068710672.db2.gz DHQKLBYVIUPMCH-FUDKSRODSA-N 1 0 498.628 0.941 20 0 JCADRO COc1ccc(COCC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)cc1 ZINC001181755663 1068711557 /nfs/dbraw/zinc/71/15/57/1068711557.db2.gz OJIINIXKYLSRAF-UHFFFAOYSA-N 1 0 463.516 0.990 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCc2ccccc21)C(N)=O ZINC001181762388 1068711501 /nfs/dbraw/zinc/71/15/01/1068711501.db2.gz AFORAGGTBAOYQM-CMOCDZPBSA-N 1 0 485.629 0.947 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCc2ccccc21)C(N)=O ZINC001181762389 1068711531 /nfs/dbraw/zinc/71/15/31/1068711531.db2.gz AFORAGGTBAOYQM-MLNNCEHLSA-N 1 0 485.629 0.947 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCc3ccccc31)c(N)nc2=O ZINC001181763466 1068711691 /nfs/dbraw/zinc/71/16/91/1068711691.db2.gz OXSNICHJPWKKEJ-CGTJXYLNSA-N 1 0 498.540 0.407 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCc3ccccc31)c(N)nc2=O ZINC001181763472 1068711739 /nfs/dbraw/zinc/71/17/39/1068711739.db2.gz OXSNICHJPWKKEJ-JQHSSLGASA-N 1 0 498.540 0.407 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCc3ccccc31)c(N)nc2=O ZINC001181763473 1068711636 /nfs/dbraw/zinc/71/16/36/1068711636.db2.gz OXSNICHJPWKKEJ-RYQLBKOJSA-N 1 0 498.540 0.407 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCc3ccccc31)c(N)nc2=O ZINC001181763474 1068711838 /nfs/dbraw/zinc/71/18/38/1068711838.db2.gz OXSNICHJPWKKEJ-SZMVWBNQSA-N 1 0 498.540 0.407 20 0 JCADRO C[C@H](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)Sc1ccc(Cl)cc1 ZINC001181771731 1068711605 /nfs/dbraw/zinc/71/16/05/1068711605.db2.gz SANYUXRXOIVLOY-HJXZIOCFSA-N 1 0 494.961 0.618 20 0 JCADRO C[C@@H](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)Sc1ccc(Cl)cc1 ZINC001181771732 1068712104 /nfs/dbraw/zinc/71/21/04/1068712104.db2.gz SANYUXRXOIVLOY-MQHMDOANSA-N 1 0 494.961 0.618 20 0 JCADRO CCOC(=O)CC(=O)n1cnc(=Nc2cccc(OC)c2)c2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccn21 ZINC001181788619 1068712169 /nfs/dbraw/zinc/71/21/69/1068712169.db2.gz AUQMPWAYBDQKKR-WOJBJXKFSA-N 1 0 482.541 0.864 20 0 JCADRO CCOC(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)OCC ZINC001181796842 1068712713 /nfs/dbraw/zinc/71/27/13/1068712713.db2.gz WRUZYXDWVKAUFO-ZWOKBUDYSA-N 1 0 485.626 0.007 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)COCCO)nc2C(N)=O)nc1C ZINC001181800620 1068712688 /nfs/dbraw/zinc/71/26/88/1068712688.db2.gz WDPDNLXYGACHGP-JKSUJKDBSA-N 1 0 457.535 0.557 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccc2cc[nH]c2c1)C(N)=O ZINC001181810359 1068713894 /nfs/dbraw/zinc/71/38/94/1068713894.db2.gz LTLNRCIRGGSUPM-RRPUWOKSSA-N 1 0 498.628 0.941 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181829235 1068713304 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CC[C@H](CC(C)C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181842371 1068714159 /nfs/dbraw/zinc/71/41/59/1068714159.db2.gz KNYMHWZRZJYMMH-PMPSAXMXSA-N 1 0 480.566 0.749 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)CC2 ZINC001181855992 1068715347 /nfs/dbraw/zinc/71/53/47/1068715347.db2.gz OFUSJVZUBHSWKF-KRWDZBQOSA-N 1 0 465.595 0.609 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CC2 ZINC001181855995 1068715291 /nfs/dbraw/zinc/71/52/91/1068715291.db2.gz OFUSJVZUBHSWKF-QGZVFWFLSA-N 1 0 465.595 0.609 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCC(=O)N2C(=O)OC(C)(C)C)c2nonc21 ZINC001181861378 1068715798 /nfs/dbraw/zinc/71/57/98/1068715798.db2.gz DLRORHILSNHGSS-CYBMUJFWSA-N 1 0 496.546 0.691 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCC(=O)N2C(=O)OC(C)(C)C)c2nonc21 ZINC001181861379 1068715637 /nfs/dbraw/zinc/71/56/37/1068715637.db2.gz DLRORHILSNHGSS-ZDUSSCGKSA-N 1 0 496.546 0.691 20 0 JCADRO CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001181864208 1068716536 /nfs/dbraw/zinc/71/65/36/1068716536.db2.gz VFQFQWQMMFKVTQ-INIZCTEOSA-N 1 0 452.533 0.859 20 0 JCADRO CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001181864209 1068716251 /nfs/dbraw/zinc/71/62/51/1068716251.db2.gz VFQFQWQMMFKVTQ-MRXNPFEDSA-N 1 0 452.533 0.859 20 0 JCADRO CCCCC[N@H+](C)CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001181869133 1068716491 /nfs/dbraw/zinc/71/64/91/1068716491.db2.gz RUXOPJXLZBVCSO-ROUUACIJSA-N 1 0 473.684 0.869 20 0 JCADRO Cc1ccc(C2(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)CCCCC2)cc1 ZINC001181871972 1068716415 /nfs/dbraw/zinc/71/64/15/1068716415.db2.gz JUYVWOJVESUCNL-BZSOYRFXSA-N 1 0 482.541 0.604 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CCCc1ccc(Cl)cc1 ZINC001181875493 1068716347 /nfs/dbraw/zinc/71/63/47/1068716347.db2.gz GTPOCKZKYLKOCX-OZSDWXKXSA-N 1 0 462.894 0.070 20 0 JCADRO CCC1(CC)C[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181889304 1068717011 /nfs/dbraw/zinc/71/70/11/1068717011.db2.gz QLJQPVQFRGHIJY-KKUMJFAQSA-N 1 0 478.550 0.503 20 0 JCADRO CCC1(CC)C[C@@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181889305 1068716975 /nfs/dbraw/zinc/71/69/75/1068716975.db2.gz QLJQPVQFRGHIJY-RRFJBIMHSA-N 1 0 478.550 0.503 20 0 JCADRO CCC1(CC)C[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181889306 1068716953 /nfs/dbraw/zinc/71/69/53/1068716953.db2.gz QLJQPVQFRGHIJY-SOUVJXGZSA-N 1 0 478.550 0.503 20 0 JCADRO CCC1(CC)C[C@@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181889307 1068717029 /nfs/dbraw/zinc/71/70/29/1068717029.db2.gz QLJQPVQFRGHIJY-ZNMIVQPWSA-N 1 0 478.550 0.503 20 0 JCADRO CC(C)N(C(=O)Cn1nc(Cl)ccc1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001181890379 1068717079 /nfs/dbraw/zinc/71/70/79/1068717079.db2.gz AQHUGSONRMAGAF-UHFFFAOYSA-N 1 0 461.954 0.653 20 0 JCADRO O=C([C@@H]1COc2ccccc2O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001181897950 1068717955 /nfs/dbraw/zinc/71/79/55/1068717955.db2.gz OLMRVDCCRPYMHR-ZYSHUDEJSA-N 1 0 456.524 0.658 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC13CCCCC3)c(N)nc2=O ZINC001181909080 1068717926 /nfs/dbraw/zinc/71/79/26/1068717926.db2.gz RHZNYSKKASYIFN-ARFHVFGLSA-N 1 0 490.561 0.647 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC13CCCCC3)c(N)nc2=O ZINC001181909085 1068717988 /nfs/dbraw/zinc/71/79/88/1068717988.db2.gz RHZNYSKKASYIFN-HRCADAONSA-N 1 0 490.561 0.647 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC13CCCCC3)c(N)nc2=O ZINC001181909092 1068718028 /nfs/dbraw/zinc/71/80/28/1068718028.db2.gz RHZNYSKKASYIFN-JYJNAYRXSA-N 1 0 490.561 0.647 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC13CCCCC3)c(N)nc2=O ZINC001181909097 1068717869 /nfs/dbraw/zinc/71/78/69/1068717869.db2.gz RHZNYSKKASYIFN-XHSDSOJGSA-N 1 0 490.561 0.647 20 0 JCADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1c2ccccc2-c2ccccc21 ZINC001181914313 1068718567 /nfs/dbraw/zinc/71/85/67/1068718567.db2.gz AMYXYBXNGCJCKK-DGROVODQSA-N 1 0 474.477 0.206 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCC(=O)N2c2ccccc2)c2nonc21 ZINC001181954054 1068719694 /nfs/dbraw/zinc/71/96/94/1068719694.db2.gz DIZMCFLSQFXEEX-INIZCTEOSA-N 1 0 472.527 0.960 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCC(=O)N2c2ccccc2)c2nonc21 ZINC001181954065 1068719750 /nfs/dbraw/zinc/71/97/50/1068719750.db2.gz DIZMCFLSQFXEEX-MRXNPFEDSA-N 1 0 472.527 0.960 20 0 JCADRO COCC1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCC1 ZINC001181955583 1068719839 /nfs/dbraw/zinc/71/98/39/1068719839.db2.gz PJSRIJQMVZSNMF-BZSNNMDCSA-N 1 0 467.611 0.034 20 0 JCADRO CN1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)Oc2ccccc21 ZINC001181967501 1068720266 /nfs/dbraw/zinc/72/02/66/1068720266.db2.gz JBKXPLFWPVJASX-FFZOFVMBSA-N 1 0 469.567 0.715 20 0 JCADRO CN1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)Oc2ccccc21 ZINC001181967502 1068721160 /nfs/dbraw/zinc/72/11/60/1068721160.db2.gz JBKXPLFWPVJASX-PWIZWCRZSA-N 1 0 469.567 0.715 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CN(C)c3ccccc3O2)c2nonc21 ZINC001181971735 1068721195 /nfs/dbraw/zinc/72/11/95/1068721195.db2.gz VSLMDABQMBJAKS-INIZCTEOSA-N 1 0 460.516 0.662 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CN(C)c3ccccc3O2)c2nonc21 ZINC001181971736 1068721147 /nfs/dbraw/zinc/72/11/47/1068721147.db2.gz VSLMDABQMBJAKS-MRXNPFEDSA-N 1 0 460.516 0.662 20 0 JCADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)C1 ZINC001181978837 1068719635 /nfs/dbraw/zinc/71/96/35/1068719635.db2.gz VJMHJAYOGGQVOC-HNNXBMFYSA-N 1 0 450.565 0.852 20 0 JCADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)C1 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O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001182013388 1068723077 /nfs/dbraw/zinc/72/30/77/1068723077.db2.gz ZOZUDFATACDLPP-WATLYSKOSA-N 1 0 468.602 0.722 20 0 JCADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001182017931 1068723222 /nfs/dbraw/zinc/72/32/22/1068723222.db2.gz UZWTXBUYXVBBCS-OPYGSTPGSA-N 1 0 498.536 0.199 20 0 JCADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001182017933 1068723095 /nfs/dbraw/zinc/72/30/95/1068723095.db2.gz UZWTXBUYXVBBCS-VIDCAOJFSA-N 1 0 498.536 0.199 20 0 JCADRO C[NH+]1CCC(O)(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001182027561 1068721727 /nfs/dbraw/zinc/72/17/27/1068721727.db2.gz DDSDJIYFIRVWBB-CABCVRRESA-N 1 0 499.012 0.734 20 0 JCADRO C[NH+]1CCC(O)(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001182027562 1068721606 /nfs/dbraw/zinc/72/16/06/1068721606.db2.gz DDSDJIYFIRVWBB-GJZGRUSLSA-N 1 0 499.012 0.734 20 0 JCADRO C[NH+]1CCC(O)(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001182027563 1068721852 /nfs/dbraw/zinc/72/18/52/1068721852.db2.gz DDSDJIYFIRVWBB-HUUCEWRRSA-N 1 0 499.012 0.734 20 0 JCADRO C[NH+]1CCC(O)(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001182027564 1068721634 /nfs/dbraw/zinc/72/16/34/1068721634.db2.gz DDSDJIYFIRVWBB-LSDHHAIUSA-N 1 0 499.012 0.734 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCOC(C)(C)C1)C(N)=O ZINC001182028903 1068721591 /nfs/dbraw/zinc/72/15/91/1068721591.db2.gz HYQOVQKKSCEVDF-VJANTYMQSA-N 1 0 481.638 0.423 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCOC(C)(C)C1)C(N)=O ZINC001182028904 1068721716 /nfs/dbraw/zinc/72/17/16/1068721716.db2.gz HYQOVQKKSCEVDF-XWSJACJDSA-N 1 0 481.638 0.423 20 0 JCADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)C4(O)CC[NH+](C)CC4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001182030493 1068721802 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WGEKVQGDFBTCFI-XTHUUODCSA-N 1 0 479.622 0.034 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@]12CCCOC2)C(N)=O ZINC001183747584 1068882339 /nfs/dbraw/zinc/88/23/39/1068882339.db2.gz WGEKVQGDFBTCFI-YTEZWJELSA-N 1 0 479.622 0.034 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(c2ncccn2)C2C[NH2+]C2)cc1 ZINC001183770858 1068873357 /nfs/dbraw/zinc/87/33/57/1068873357.db2.gz BBEDNBPIJVDBPQ-SFHVURJKSA-N 1 0 458.544 0.059 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)cc1 ZINC001183771002 1068873961 /nfs/dbraw/zinc/87/39/61/1068873961.db2.gz CLMOGFTWDVBWHO-HKUYNNGSSA-N 1 0 472.571 0.705 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)cc1 ZINC001183771003 1068874054 /nfs/dbraw/zinc/87/40/54/1068874054.db2.gz CLMOGFTWDVBWHO-MJGOQNOKSA-N 1 0 472.571 0.705 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](CCC(C)(C)O)CC2)cc1 ZINC001183771016 1068874028 /nfs/dbraw/zinc/87/40/28/1068874028.db2.gz CUYSUCPTXFWIDO-FQEVSTJZSA-N 1 0 480.631 0.570 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC([N@@H+](C)[C@H]3CCOC3)C2)cc1 ZINC001183771320 1068874473 /nfs/dbraw/zinc/87/44/73/1068874473.db2.gz IASRTOQLUITUFK-PXNSSMCTSA-N 1 0 464.588 0.196 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001183771330 1068874645 /nfs/dbraw/zinc/87/46/45/1068874645.db2.gz IEXATXXNJFNXIA-CTNGQTDRSA-N 1 0 478.615 0.588 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001183771331 1068874544 /nfs/dbraw/zinc/87/45/44/1068874544.db2.gz IEXATXXNJFNXIA-FPOVZHCZSA-N 1 0 478.615 0.588 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCOC[C@@H]2C[NH+](C)C)cc1 ZINC001183772119 1068875049 /nfs/dbraw/zinc/87/50/49/1068875049.db2.gz PCCOZLABFUUVAO-HKUYNNGSSA-N 1 0 452.577 0.053 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCOC[C@H]2C[NH+](C)C)cc1 ZINC001183772120 1068875105 /nfs/dbraw/zinc/87/51/05/1068875105.db2.gz PCCOZLABFUUVAO-MJGOQNOKSA-N 1 0 452.577 0.053 20 0 JCADRO COCCN(C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001183772208 1068875121 /nfs/dbraw/zinc/87/51/21/1068875121.db2.gz CKQHUOZQUKSYCU-NRFANRHFSA-N 1 0 480.631 0.834 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC001183773351 1068876429 /nfs/dbraw/zinc/87/64/29/1068876429.db2.gz ZYERYJRRAWMXGC-NRFANRHFSA-N 1 0 492.642 0.978 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001183773982 1068876785 /nfs/dbraw/zinc/87/67/85/1068876785.db2.gz NWHOXYTUYRGICI-BDTNDASRSA-N 1 0 491.658 0.501 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001183774083 1068876720 /nfs/dbraw/zinc/87/67/20/1068876720.db2.gz QJOSUZJYAQCJOG-VWPQPMDRSA-N 1 0 490.626 0.586 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC001183774767 1068877543 /nfs/dbraw/zinc/87/75/43/1068877543.db2.gz WNJUIBFJPMBMTC-NRFANRHFSA-N 1 0 478.615 0.588 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)cc1 ZINC001183776029 1068878694 /nfs/dbraw/zinc/87/86/94/1068878694.db2.gz IOTBSIUZVBXWOY-YOEHRIQHSA-N 1 0 477.612 0.763 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001183776092 1068878744 /nfs/dbraw/zinc/87/87/44/1068878744.db2.gz GOAMQLBTLZYQHT-WFXMLNOXSA-N 1 0 478.615 0.762 20 0 JCADRO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001183776190 1068878787 /nfs/dbraw/zinc/87/87/87/1068878787.db2.gz IOQBDOOJAJXNJT-IBGZPJMESA-N 1 0 494.614 0.537 20 0 JCADRO COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001183776258 1068878906 /nfs/dbraw/zinc/87/89/06/1068878906.db2.gz KWAKOBYQFJRVAP-NRFANRHFSA-N 1 0 480.631 0.881 20 0 JCADRO CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC001183776304 1068879278 /nfs/dbraw/zinc/87/92/78/1068879278.db2.gz LMJCVCYLFBFYKI-IBGZPJMESA-N 1 0 494.614 0.408 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc1 ZINC001183776326 1068879288 /nfs/dbraw/zinc/87/92/88/1068879288.db2.gz MAKFJXTZHZKDBA-JYLXEMOASA-N 1 0 482.603 0.105 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc1 ZINC001183776328 1068879496 /nfs/dbraw/zinc/87/94/96/1068879496.db2.gz MAKFJXTZHZKDBA-JZJXAQOMSA-N 1 0 482.603 0.105 20 0 JCADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCCN2CCC[N@@H+](C)CC2)cc1 ZINC001183776367 1068879328 /nfs/dbraw/zinc/87/93/28/1068879328.db2.gz MNAHGELUVGAESE-FQEVSTJZSA-N 1 0 465.620 0.018 20 0 JCADRO COCCC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001183777119 1068880881 /nfs/dbraw/zinc/88/08/81/1068880881.db2.gz UJXFWFNCXMJJIX-IBGZPJMESA-N 1 0 466.604 0.621 20 0 JCADRO CN(CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183813520 1068883133 /nfs/dbraw/zinc/88/31/33/1068883133.db2.gz VBFWXZVAQPMPIL-HNNXBMFYSA-N 1 0 485.607 0.940 20 0 JCADRO CN(CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183813522 1068883213 /nfs/dbraw/zinc/88/32/13/1068883213.db2.gz VBFWXZVAQPMPIL-OAHLLOKOSA-N 1 0 485.607 0.940 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CC1(C)CCOCC1)C(N)=O ZINC001183855227 1068886241 /nfs/dbraw/zinc/88/62/41/1068886241.db2.gz TZDIAJICINKQIE-BJLQDIEVSA-N 1 0 481.638 0.424 20 0 JCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC3)CC1 ZINC001183856322 1068886299 /nfs/dbraw/zinc/88/62/99/1068886299.db2.gz ANWBVPBZHBSBSG-LJQANCHMSA-N 1 0 462.595 0.999 20 0 JCADRO CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001183856934 1068886379 /nfs/dbraw/zinc/88/63/79/1068886379.db2.gz KAPDUNIEOACKPL-CYBMUJFWSA-N 1 0 458.537 0.635 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)CC2 ZINC001183857811 1068886986 /nfs/dbraw/zinc/88/69/86/1068886986.db2.gz VBAPWGGTUOIRAB-OAHLLOKOSA-N 1 0 465.551 0.877 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)CC2 ZINC001183857994 1068887027 /nfs/dbraw/zinc/88/70/27/1068887027.db2.gz YORLWOJEQFZNDF-LJQANCHMSA-N 1 0 481.638 0.709 20 0 JCADRO CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001183859778 1068886942 /nfs/dbraw/zinc/88/69/42/1068886942.db2.gz UIGMMMXVHFPJEI-GOSISDBHSA-N 1 0 468.576 0.959 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001183873229 1068888197 /nfs/dbraw/zinc/88/81/97/1068888197.db2.gz FUWGPEZRMMPQNC-HNNXBMFYSA-N 1 0 451.524 0.087 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001183873411 1068888003 /nfs/dbraw/zinc/88/80/03/1068888003.db2.gz IGZJKMCVZAKKAT-HKUYNNGSSA-N 1 0 478.594 0.590 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001183873412 1068888018 /nfs/dbraw/zinc/88/80/18/1068888018.db2.gz IGZJKMCVZAKKAT-PKOBYXMFSA-N 1 0 478.594 0.590 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001183873478 1068888578 /nfs/dbraw/zinc/88/85/78/1068888578.db2.gz KUJCHPMBGPCKSL-INIZCTEOSA-N 1 0 457.535 0.936 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001183875321 1068889160 /nfs/dbraw/zinc/88/91/60/1068889160.db2.gz WHJWJURLUXUDQP-KRWDZBQOSA-N 1 0 451.568 0.930 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001183878124 1068889776 /nfs/dbraw/zinc/88/97/76/1068889776.db2.gz HKMTWMBZNQJDPU-ZDUSSCGKSA-N 1 0 498.562 0.001 20 0 JCADRO CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001183878784 1068889804 /nfs/dbraw/zinc/88/98/04/1068889804.db2.gz REAIBFUJZCXUJV-KRWDZBQOSA-N 1 0 454.549 0.169 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CCC3(CC3)CC1)c(N)nc2=O ZINC001183882041 1068890328 /nfs/dbraw/zinc/89/03/28/1068890328.db2.gz FHJVJBHWSLLGCO-HOTGVXAUSA-N 1 0 490.561 0.647 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CCC3(CC3)CC1)c(N)nc2=O ZINC001183882042 1068890368 /nfs/dbraw/zinc/89/03/68/1068890368.db2.gz FHJVJBHWSLLGCO-JKSUJKDBSA-N 1 0 490.561 0.647 20 0 JCADRO CC(C)(CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1Cl ZINC001183890640 1068890399 /nfs/dbraw/zinc/89/03/99/1068890399.db2.gz IWXPMPWQBUDNFU-OZSDWXKXSA-N 1 0 476.921 0.415 20 0 JCADRO CO[C@]1(C[NH2+]C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CCS(=O)(=O)C1 ZINC001183895710 1068890430 /nfs/dbraw/zinc/89/04/30/1068890430.db2.gz CLZMZQXNNDOTBR-IBGZPJMESA-N 1 0 459.590 0.591 20 0 JCADRO CO[C@@]1(C[NH2+]C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CCS(=O)(=O)C1 ZINC001183895713 1068890348 /nfs/dbraw/zinc/89/03/48/1068890348.db2.gz CLZMZQXNNDOTBR-LJQANCHMSA-N 1 0 459.590 0.591 20 0 JCADRO O=C([C@@H](O)Cc1ccc(O)cc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001183896965 1068890860 /nfs/dbraw/zinc/89/08/60/1068890860.db2.gz PNKVGBLFQNYKGC-GBESFXJTSA-N 1 0 458.540 0.127 20 0 JCADRO O=C([C@H](O)Cc1ccc(O)cc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001183896966 1068891039 /nfs/dbraw/zinc/89/10/39/1068891039.db2.gz PNKVGBLFQNYKGC-IPMKNSEASA-N 1 0 458.540 0.127 20 0 JCADRO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COc2ccc(OCC(=O)[O-])cc2)[C@H](O)OC(C)(C)C)C1 ZINC001183911488 1068893209 /nfs/dbraw/zinc/89/32/09/1068893209.db2.gz JOYAIQMRRLXUHD-DZFCUNEISA-N 1 0 497.589 0.824 20 0 JCADRO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COc2ccc(OCC(=O)[O-])cc2)[C@@H](O)OC(C)(C)C)C1 ZINC001183911489 1068893183 /nfs/dbraw/zinc/89/31/83/1068893183.db2.gz JOYAIQMRRLXUHD-KYAJTYIHSA-N 1 0 497.589 0.824 20 0 JCADRO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COc2ccc(OCC(=O)[O-])cc2)[C@H](O)OC(C)(C)C)C1 ZINC001183911490 1068893447 /nfs/dbraw/zinc/89/34/47/1068893447.db2.gz JOYAIQMRRLXUHD-QHJWAJFGSA-N 1 0 497.589 0.824 20 0 JCADRO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COc2ccc(OCC(=O)[O-])cc2)[C@@H](O)OC(C)(C)C)C1 ZINC001183911491 1068893410 /nfs/dbraw/zinc/89/34/10/1068893410.db2.gz JOYAIQMRRLXUHD-VRHPOXPKSA-N 1 0 497.589 0.824 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)CC1CCC1)c(N)nc2=O ZINC001183936314 1068890995 /nfs/dbraw/zinc/89/09/95/1068890995.db2.gz AWBBAWDKXRBBER-HOTGVXAUSA-N 1 0 492.577 0.893 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)CC1CCC1)c(N)nc2=O ZINC001183936317 1068891683 /nfs/dbraw/zinc/89/16/83/1068891683.db2.gz AWBBAWDKXRBBER-JKSUJKDBSA-N 1 0 492.577 0.893 20 0 JCADRO CC(C)(C)C(=O)NCCCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001183941834 1068891536 /nfs/dbraw/zinc/89/15/36/1068891536.db2.gz HVCMMNJICMQELY-DLBZAZTESA-N 1 0 463.604 0.760 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCCNC(=O)C(C)(C)C)c2nonc21 ZINC001183945280 1068891500 /nfs/dbraw/zinc/89/15/00/1068891500.db2.gz SQWIGRNCQFBFOG-UHFFFAOYSA-N 1 0 454.553 0.707 20 0 JCADRO COC(=O)N[C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C(C)C ZINC001183950849 1068894690 /nfs/dbraw/zinc/89/46/90/1068894690.db2.gz PJVVPXYKNARUNT-XHSDSOJGSA-N 1 0 451.549 0.198 20 0 JCADRO CC(=O)N[C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@H](C)OC(C)(C)C ZINC001183952769 1068894665 /nfs/dbraw/zinc/89/46/65/1068894665.db2.gz CEEQLMPIFJXYNP-MAAHGYRXSA-N 1 0 493.630 0.526 20 0 JCADRO CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)[C@@H](C)OC(C)(C)C ZINC001183952770 1068894754 /nfs/dbraw/zinc/89/47/54/1068894754.db2.gz CELQTIFOCWKGBB-MJGOQNOKSA-N 1 0 453.628 0.392 20 0 JCADRO CC(=O)N[C@H](C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)[C@@H](C)OC(C)(C)C ZINC001183962564 1068895683 /nfs/dbraw/zinc/89/56/83/1068895683.db2.gz NJIKJCKGJUBMAI-WBMJQRKESA-N 1 0 484.579 0.473 20 0 JCADRO CC(C)C[C@@](C)(O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001183972840 1068895787 /nfs/dbraw/zinc/89/57/87/1068895787.db2.gz DDOJMGQWWJJFIE-DWKCODDLSA-N 1 0 469.627 0.014 20 0 JCADRO CC(C)C[C@](C)(O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001183972841 1068895670 /nfs/dbraw/zinc/89/56/70/1068895670.db2.gz DDOJMGQWWJJFIE-ORQYLMBXSA-N 1 0 469.627 0.014 20 0 JCADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1=Cc3ccccc3C1)c(N)nc2=O ZINC001183978905 1068896049 /nfs/dbraw/zinc/89/60/49/1068896049.db2.gz UMETWYISEVFSSD-ROUUACIJSA-N 1 0 496.524 0.317 20 0 JCADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1=Cc3ccccc3C1)c(N)nc2=O ZINC001183978906 1068895981 /nfs/dbraw/zinc/89/59/81/1068895981.db2.gz UMETWYISEVFSSD-ZWKOTPCHSA-N 1 0 496.524 0.317 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1=Cc2ccccc2C1)C(N)=O ZINC001183979612 1068895804 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1 0 476.537 0.642 20 0 JCADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001186586895 1069110432 /nfs/dbraw/zinc/11/04/32/1069110432.db2.gz HRHXUBIODNFOQA-GOTSBHOMSA-N 1 0 464.566 0.941 20 0 JCADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001186587683 1069111893 /nfs/dbraw/zinc/11/18/93/1069111893.db2.gz PCXSYLSYLORRMH-HVCNVCAESA-N 1 0 496.608 0.956 20 0 JCADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001186587685 1069111768 /nfs/dbraw/zinc/11/17/68/1069111768.db2.gz PCXSYLSYLORRMH-VJTSUQJLSA-N 1 0 496.608 0.956 20 0 JCADRO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC001186587695 1069111885 /nfs/dbraw/zinc/11/18/85/1069111885.db2.gz PKTRCXBIRKBKHQ-GOTSBHOMSA-N 1 0 498.580 0.517 20 0 JCADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C[NH3+])COC1 ZINC001186587981 1069111737 /nfs/dbraw/zinc/11/17/37/1069111737.db2.gz RJKBDPFHMJVZKV-SFTDATJTSA-N 1 0 454.527 0.011 20 0 JCADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001186588095 1069111587 /nfs/dbraw/zinc/11/15/87/1069111587.db2.gz TZHAQGBTTXLTGS-ZEQRLZLVSA-N 1 0 496.608 0.740 20 0 JCADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001186588337 1069112431 /nfs/dbraw/zinc/11/24/31/1069112431.db2.gz WFEULDDSZSFJQH-GOTSBHOMSA-N 1 0 490.564 0.950 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001186594810 1069128127 /nfs/dbraw/zinc/12/81/27/1069128127.db2.gz MCQIZUVAXATIQC-NRFANRHFSA-N 1 0 470.574 0.655 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001186595839 1069128070 /nfs/dbraw/zinc/12/80/70/1069128070.db2.gz WSTLOANBKBOJTM-IBGZPJMESA-N 1 0 451.527 0.330 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001186595950 1069128706 /nfs/dbraw/zinc/12/87/06/1069128706.db2.gz KJNSLDOIWCJAPO-GOTSBHOMSA-N 1 0 452.555 0.903 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001186595951 1069128660 /nfs/dbraw/zinc/12/86/60/1069128660.db2.gz KJNSLDOIWCJAPO-PKTZIBPZSA-N 1 0 452.555 0.903 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001186596228 1069128562 /nfs/dbraw/zinc/12/85/62/1069128562.db2.gz PEJTXZQWESSIDI-DEOSSOPVSA-N 1 0 496.608 0.940 20 0 JCADRO COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)c1 ZINC001186598306 1069128591 /nfs/dbraw/zinc/12/85/91/1069128591.db2.gz HOKOLICEYWNWEF-UHFFFAOYSA-N 1 0 469.541 0.590 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001186598452 1069128714 /nfs/dbraw/zinc/12/87/14/1069128714.db2.gz FSKBOAREXORFKD-QFIPXVFZSA-N 1 0 464.566 0.924 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001186598560 1069128617 /nfs/dbraw/zinc/12/86/17/1069128617.db2.gz FZOKVJTVULHROC-QFIPXVFZSA-N 1 0 460.575 0.272 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(c1ccccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001186598589 1069129350 /nfs/dbraw/zinc/12/93/50/1069129350.db2.gz GXWFUKVRLLHCLH-QFIPXVFZSA-N 1 0 467.570 0.880 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001186598622 1069129150 /nfs/dbraw/zinc/12/91/50/1069129150.db2.gz IAUZXBFMBADGBQ-NRFANRHFSA-N 1 0 473.574 0.329 20 0 JCADRO CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1NC(=O)CNC(=O)[C@H](CO)NC(C)=O ZINC001186599056 1069129127 /nfs/dbraw/zinc/12/91/27/1069129127.db2.gz LHXZSRTYQSQFIO-IBGZPJMESA-N 1 0 480.562 0.526 20 0 JCADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001186599222 1069129231 /nfs/dbraw/zinc/12/92/31/1069129231.db2.gz NRKLYDDJZBPXGW-QFIPXVFZSA-N 1 0 453.543 0.561 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)C(C)C ZINC001186607506 1069131042 /nfs/dbraw/zinc/13/10/42/1069131042.db2.gz LVKFIYSNSKKVFV-HKUYNNGSSA-N 1 0 450.609 0.780 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C(C)C ZINC001186610643 1069114021 /nfs/dbraw/zinc/11/40/21/1069114021.db2.gz BXGBMVZQBPBBSB-HKUYNNGSSA-N 1 0 475.615 0.851 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCCn2c(CN(C)C(C)C)nnc2C1)C(C)C ZINC001186610818 1069113990 /nfs/dbraw/zinc/11/39/90/1069113990.db2.gz GBADMDXDXZYGGT-PXNSSMCTSA-N 1 0 481.667 0.859 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1)C(C)C ZINC001186610872 1069114649 /nfs/dbraw/zinc/11/46/49/1069114649.db2.gz HSAOBLWLIDXOTF-LPHOPBHVSA-N 1 0 489.602 0.652 20 0 JCADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC2 ZINC001186611066 1069114761 /nfs/dbraw/zinc/11/47/61/1069114761.db2.gz KHGQIDSFKPHENU-HKUYNNGSSA-N 1 0 469.652 0.198 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C(C)C ZINC001186611082 1069114691 /nfs/dbraw/zinc/11/46/91/1069114691.db2.gz KOGFDBQTOZXJMH-CMOCDZPBSA-N 1 0 491.658 0.892 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C(C)C ZINC001186611083 1069114719 /nfs/dbraw/zinc/11/47/19/1069114719.db2.gz KOGFDBQTOZXJMH-CZYKHXBRSA-N 1 0 491.658 0.892 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C(C)C ZINC001186611084 1069114617 /nfs/dbraw/zinc/11/46/17/1069114617.db2.gz KOGFDBQTOZXJMH-LRSLUSHPSA-N 1 0 491.658 0.892 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C(C)C ZINC001186611085 1069114623 /nfs/dbraw/zinc/11/46/23/1069114623.db2.gz KOGFDBQTOZXJMH-MLNNCEHLSA-N 1 0 491.658 0.892 20 0 JCADRO COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)c12 ZINC001186611363 1069115475 /nfs/dbraw/zinc/11/54/75/1069115475.db2.gz CIVYVOFDLHLNRV-JSGCOSHPSA-N 1 0 450.521 0.692 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N(c1ncnc2c1CC[NH2+]CC2)C(C)C)C(C)C ZINC001186611541 1069115573 /nfs/dbraw/zinc/11/55/73/1069115573.db2.gz ORVQHNHRRHLJHZ-OALUTQOASA-N 1 0 464.636 0.915 20 0 JCADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC[C@@H]2C1 ZINC001186612044 1069116100 /nfs/dbraw/zinc/11/61/00/1069116100.db2.gz QLIROZGDGYMKPR-WCIQWLHISA-N 1 0 472.652 0.191 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)C(C)C ZINC001186612609 1069116880 /nfs/dbraw/zinc/11/68/80/1069116880.db2.gz WOCVRLUCOGUWFM-FSGKZVOOSA-N 1 0 492.646 0.443 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1)C(C)C ZINC001186612613 1069116746 /nfs/dbraw/zinc/11/67/46/1069116746.db2.gz WPYLQXYHWOPADE-AOIWGVFYSA-N 1 0 452.625 0.412 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1)C(C)C ZINC001186612623 1069116764 /nfs/dbraw/zinc/11/67/64/1069116764.db2.gz WPYLQXYHWOPADE-LNLFQRSKSA-N 1 0 452.625 0.412 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)C(C)C ZINC001186612751 1069117402 /nfs/dbraw/zinc/11/74/02/1069117402.db2.gz YIOFZDKXLUTOTC-FPOVZHCZSA-N 1 0 478.663 0.872 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1)C(C)C ZINC001186612787 1069117421 /nfs/dbraw/zinc/11/74/21/1069117421.db2.gz YVLKPRKMSUPPIJ-RXVVDRJESA-N 1 0 496.678 0.702 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2)C(C)C ZINC001186612812 1069117353 /nfs/dbraw/zinc/11/73/53/1069117353.db2.gz ZDTJGUJFIFGRIL-ICSRJNTNSA-N 1 0 483.679 0.540 20 0 JCADRO COc1cc(C)nc(N(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)C2CC[NH2+]CC2)n1 ZINC001186615165 1069117999 /nfs/dbraw/zinc/11/79/99/1069117999.db2.gz AKDPZCGHZNJPMS-HKUYNNGSSA-N 1 0 480.635 0.887 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1)C(C)C ZINC001186616051 1069117702 /nfs/dbraw/zinc/11/77/02/1069117702.db2.gz KFMQOUQVSOZMPI-SFTDATJTSA-N 1 0 479.647 0.748 20 0 JCADRO COC(=O)[C@@]1(NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001186618789 1069119139 /nfs/dbraw/zinc/11/91/39/1069119139.db2.gz PHWCXGGGCASEIG-MZLICYQSSA-N 1 0 492.642 0.929 20 0 JCADRO COC(=O)[C@]1(NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001186618793 1069119023 /nfs/dbraw/zinc/11/90/23/1069119023.db2.gz PHWCXGGGCASEIG-SKPFHBQLSA-N 1 0 492.642 0.929 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1)C(C)C ZINC001186618875 1069119164 /nfs/dbraw/zinc/11/91/64/1069119164.db2.gz RVZOCAUPRTWRGV-OALUTQOASA-N 1 0 450.605 0.751 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O)C(C)C ZINC001186619099 1069118955 /nfs/dbraw/zinc/11/89/55/1069118955.db2.gz VDJLZTQTHLAHMX-IRXDYDNUSA-N 1 0 458.606 0.446 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1)C(C)C ZINC001186619497 1069118853 /nfs/dbraw/zinc/11/88/53/1069118853.db2.gz AXTRUXXYPYJNJE-PMACEKPBSA-N 1 0 491.658 0.631 20 0 JCADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)n1cc(Br)ccc1=NCC[NH3+])C(C)C ZINC001186619527 1069119127 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UINFYMXDQMIKFA-UHFFFAOYSA-N 1 0 476.555 0.601 20 0 JCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC001189682451 1069328266 /nfs/dbraw/zinc/32/82/66/1069328266.db2.gz CDKJCJMBTNALQN-UHFFFAOYSA-N 1 0 453.540 0.731 20 0 JCADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC001189682858 1069328123 /nfs/dbraw/zinc/32/81/23/1069328123.db2.gz JHGLKXMUGLSILX-UHFFFAOYSA-N 1 0 452.577 0.397 20 0 JCADRO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccccc2S(=O)(=O)[O-])[C@H](O)OC(C)(C)C)C1 ZINC001189704411 1069329227 /nfs/dbraw/zinc/32/92/27/1069329227.db2.gz WNVFZAACDFCKAZ-FMCFTNBYSA-N 1 0 473.592 0.843 20 0 JCADRO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccccc2S(=O)(=O)[O-])[C@H](O)OC(C)(C)C)C1 ZINC001189704412 1069329142 /nfs/dbraw/zinc/32/91/42/1069329142.db2.gz WNVFZAACDFCKAZ-JCTFZMBRSA-N 1 0 473.592 0.843 20 0 JCADRO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccccc2S(=O)(=O)[O-])[C@@H](O)OC(C)(C)C)C1 ZINC001189704413 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APXBGCCAEDDGGI-SJBKTWHCSA-N 1 0 457.575 0.417 20 0 JCADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001193939145 1069519836 /nfs/dbraw/zinc/51/98/36/1069519836.db2.gz AYRBOHPFFOZUCC-IBGZPJMESA-N 1 0 451.535 0.496 20 0 JCADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001193939149 1069519825 /nfs/dbraw/zinc/51/98/25/1069519825.db2.gz AYRBOHPFFOZUCC-LJQANCHMSA-N 1 0 451.535 0.496 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@H]4[C@H](OCC(=O)N5CCCC5)CC[C@@H]43)c2)CC1 ZINC001193939222 1069520389 /nfs/dbraw/zinc/52/03/89/1069520389.db2.gz CKYYOPGCSKCPCP-QZNHQXDQSA-N 1 0 457.575 0.844 20 0 JCADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193939239 1069520439 /nfs/dbraw/zinc/52/04/39/1069520439.db2.gz CYPMFKMSHXWNRM-RUZDIDTESA-N 1 0 477.569 0.708 20 0 JCADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193939240 1069520130 /nfs/dbraw/zinc/52/01/30/1069520130.db2.gz CYPMFKMSHXWNRM-VWLOTQADSA-N 1 0 477.569 0.708 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCCn4nnc(COCC(=O)N5CCCC5)c4C3)c2)CC1 ZINC001193939304 1069520050 /nfs/dbraw/zinc/52/00/50/1069520050.db2.gz FEARUIQLKZEHQY-UHFFFAOYSA-N 1 0 482.589 0.610 20 0 JCADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193939355 1069520409 /nfs/dbraw/zinc/52/04/09/1069520409.db2.gz FPSYWWWIMNVQJK-UHFFFAOYSA-N 1 0 462.558 0.954 20 0 JCADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193939550 1069520238 /nfs/dbraw/zinc/52/02/38/1069520238.db2.gz HQCNDPSHOHQLHX-NRFANRHFSA-N 1 0 483.617 0.655 20 0 JCADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193939551 1069520377 /nfs/dbraw/zinc/52/03/77/1069520377.db2.gz HQCNDPSHOHQLHX-OAQYLSRUSA-N 1 0 483.617 0.655 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCCn4c(=O)cc(CNC(=O)c5ccco5)nc4C3)c2)CC1 ZINC001193939571 1069520327 /nfs/dbraw/zinc/52/03/27/1069520327.db2.gz IMWLJQWAFYDVFG-UHFFFAOYSA-N 1 0 491.552 0.959 20 0 JCADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)[C@@H]2CCCO[C@@H]21 ZINC001193939584 1069520420 /nfs/dbraw/zinc/52/04/20/1069520420.db2.gz JBNGEOWBQSJHOH-TUNNFDKTSA-N 1 0 452.559 0.974 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3C[C@H]4C[C@H]5[C@@](CN(Cc6ccncc6)S5(=O)=O)(C3)O4)c2)CC1 ZINC001193939626 1069520429 /nfs/dbraw/zinc/52/04/29/1069520429.db2.gz JYDZGDCFIKLVOV-GPXNEJASSA-N 1 0 498.609 0.426 20 0 JCADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193939893 1069520084 /nfs/dbraw/zinc/52/00/84/1069520084.db2.gz NRRAGRNZBWHWKG-UHFFFAOYSA-N 1 0 466.590 0.153 20 0 JCADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193939909 1069520292 /nfs/dbraw/zinc/52/02/92/1069520292.db2.gz NYVYKTNNTLVZQK-GOSISDBHSA-N 1 0 467.574 0.994 20 0 JCADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193939910 1069520366 /nfs/dbraw/zinc/52/03/66/1069520366.db2.gz NYVYKTNNTLVZQK-SFHVURJKSA-N 1 0 467.574 0.994 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)c2)CC1 ZINC001193939949 1069520400 /nfs/dbraw/zinc/52/04/00/1069520400.db2.gz PALTYQMRMFWBEJ-RLLQIKCJSA-N 1 0 451.531 0.597 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001193940122 1069520159 /nfs/dbraw/zinc/52/01/59/1069520159.db2.gz QNFMSWWPXCAFDY-YKSBVNFPSA-N 1 0 457.575 0.561 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CC(=O)NC[C@@]34CCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001193940179 1069520308 /nfs/dbraw/zinc/52/03/08/1069520308.db2.gz QZMWNEWWVGWHNP-HSZRJFAPSA-N 1 0 458.563 0.785 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CC(=O)NC[C@]34CCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001193940189 1069520650 /nfs/dbraw/zinc/52/06/50/1069520650.db2.gz QZMWNEWWVGWHNP-QHCPKHFHSA-N 1 0 458.563 0.785 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@@H]4[C@H](CNC(=O)c5ccnnc5)CC[C@@H]43)c2)CC1 ZINC001193940394 1069520697 /nfs/dbraw/zinc/52/06/97/1069520697.db2.gz UQLDHIGELGLJBO-BULFRSBZSA-N 1 0 465.558 0.673 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@H]4[C@H]3CC[C@H]4CNC(=O)c3ccnnc3)c2)CC1 ZINC001193940396 1069520886 /nfs/dbraw/zinc/52/08/86/1069520886.db2.gz UQLDHIGELGLJBO-MTNREXPMSA-N 1 0 465.558 0.673 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@@H]43)c2)CC1 ZINC001193940399 1069520612 /nfs/dbraw/zinc/52/06/12/1069520612.db2.gz UQLDHIGELGLJBO-VOQZNFBZSA-N 1 0 465.558 0.673 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@H]43)c2)CC1 ZINC001193940401 1069520715 /nfs/dbraw/zinc/52/07/15/1069520715.db2.gz UQLDHIGELGLJBO-ZPMCFJSWSA-N 1 0 465.558 0.673 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCC4(CC3)CN(c3cncnc3)C(=O)CO4)c2)CC1 ZINC001193940436 1069520735 /nfs/dbraw/zinc/52/07/35/1069520735.db2.gz VWMDHAQNYYUWHM-UHFFFAOYSA-N 1 0 451.531 0.662 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)c2)CC1 ZINC001193943602 1069523144 /nfs/dbraw/zinc/52/31/44/1069523144.db2.gz FANDYMAWILBORW-GOSISDBHSA-N 1 0 475.557 0.522 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)c2)CC1 ZINC001193943603 1069523771 /nfs/dbraw/zinc/52/37/71/1069523771.db2.gz FANDYMAWILBORW-SFHVURJKSA-N 1 0 475.557 0.522 20 0 JCADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)c4cncc(N5CC[NH+](C)CC5)c4)CC[C@@H]32)cn1 ZINC001193943615 1069523790 /nfs/dbraw/zinc/52/37/90/1069523790.db2.gz FOVYANAWLKIYKT-ILWGZMRPSA-N 1 0 467.574 0.474 20 0 JCADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)c3cncc(N4CC[NH+](C)CC4)c3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001193943678 1069523621 /nfs/dbraw/zinc/52/36/21/1069523621.db2.gz GWIHHZFHZAQAEU-PWRODBHTSA-N 1 0 453.547 0.369 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCC4(CC3)CN(C(=O)c3cnccn3)CCO4)c2)CC1 ZINC001193943688 1069523756 /nfs/dbraw/zinc/52/37/56/1069523756.db2.gz GZICRKTYZATRPD-UHFFFAOYSA-N 1 0 465.558 0.771 20 0 JCADRO CC(C)C(=O)N1CCN(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001193943810 1069523643 /nfs/dbraw/zinc/52/36/43/1069523643.db2.gz JEJGQQZDICRBRR-DEOSSOPVSA-N 1 0 456.591 0.813 20 0 JCADRO CC(C)C(=O)N1CCN(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001193943811 1069523749 /nfs/dbraw/zinc/52/37/49/1069523749.db2.gz JEJGQQZDICRBRR-XMMPIXPASA-N 1 0 456.591 0.813 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c2)CC1 ZINC001193943967 1069523662 /nfs/dbraw/zinc/52/36/62/1069523662.db2.gz LPRWICGMOUVBLM-JOCHJYFZSA-N 1 0 451.527 0.958 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c2)CC1 ZINC001193943970 1069523785 /nfs/dbraw/zinc/52/37/85/1069523785.db2.gz LPRWICGMOUVBLM-QFIPXVFZSA-N 1 0 451.527 0.958 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001193944003 1069523599 /nfs/dbraw/zinc/52/35/99/1069523599.db2.gz MQVZXAYXHAHTHT-QPPBQGQZSA-N 1 0 457.575 0.846 20 0 JCADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193944011 1069523797 /nfs/dbraw/zinc/52/37/97/1069523797.db2.gz MYCIXBGLXDGLBD-UHFFFAOYSA-N 1 0 477.573 0.392 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)N3CCN(CC(=O)NCCc4ccccc4)CC3)c2)CC1 ZINC001193944047 1069523677 /nfs/dbraw/zinc/52/36/77/1069523677.db2.gz OFGGRLMPCMZKES-UHFFFAOYSA-N 1 0 450.587 0.950 20 0 JCADRO COc1nccn(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001193944277 1069523693 /nfs/dbraw/zinc/52/36/93/1069523693.db2.gz ATHVMHWWHBOCLN-UHFFFAOYSA-N 1 0 483.554 0.599 20 0 JCADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193944334 1069523709 /nfs/dbraw/zinc/52/37/09/1069523709.db2.gz RGSKRGADYNFBLC-UHFFFAOYSA-N 1 0 452.559 0.324 20 0 JCADRO C[NH+]1CCN(c2cncc(C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)c2)CC1 ZINC001193944342 1069523543 /nfs/dbraw/zinc/52/35/43/1069523543.db2.gz BHERGZOXSACFSJ-UHFFFAOYSA-N 1 0 488.979 0.034 20 0 JCADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)[C@@H]2CCCO[C@@H]21 ZINC001193944441 1069523764 /nfs/dbraw/zinc/52/37/64/1069523764.db2.gz SVWJDDOQDJVNMY-XUVXKRRUSA-N 1 0 453.547 0.369 20 0 JCADRO 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C[NH+](C)[C@H](CNC(=O)CN1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001196188500 1069625770 /nfs/dbraw/zinc/62/57/70/1069625770.db2.gz PFKYOKFQSZFGFP-AUSIDOKSSA-N 1 0 450.580 0.994 20 0 JCADRO C[NH+](C)[C@@H](CNC(=O)CN1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001196188502 1069625824 /nfs/dbraw/zinc/62/58/24/1069625824.db2.gz PFKYOKFQSZFGFP-CVDCTZTESA-N 1 0 450.580 0.994 20 0 JCADRO C[NH+](C)[C@@H](CNC(=O)CN1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001196188503 1069625716 /nfs/dbraw/zinc/62/57/16/1069625716.db2.gz PFKYOKFQSZFGFP-WMZHIEFXSA-N 1 0 450.580 0.994 20 0 JCADRO C[NH+](C)[C@H](CNC(=O)CN1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001196188504 1069625760 /nfs/dbraw/zinc/62/57/60/1069625760.db2.gz PFKYOKFQSZFGFP-XXBNENTESA-N 1 0 450.580 0.994 20 0 JCADRO O=S(=O)(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)c1ccc(Br)cn1 ZINC001196191161 1069626505 /nfs/dbraw/zinc/62/65/05/1069626505.db2.gz PIDRNXXWNMNLRL-UHFFFAOYSA-N 1 0 461.363 0.952 20 0 JCADRO 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O=C(c1cc(-c2ccncc2)on1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001196215939 1069629591 /nfs/dbraw/zinc/62/95/91/1069629591.db2.gz DFXJNFDWJRMAJB-QFBILLFUSA-N 1 0 466.523 0.916 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc(N3CCOCC3=O)cc1)CC2 ZINC001196257704 1069631149 /nfs/dbraw/zinc/63/11/49/1069631149.db2.gz BCWMKAWVAPUEOZ-UHFFFAOYSA-N 1 0 457.575 0.360 20 0 JCADRO O=C(c1ccc(N2CCOCC2=O)cc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001196257973 1069631771 /nfs/dbraw/zinc/63/17/71/1069631771.db2.gz FSZCHZVGNOHXKK-VQTJNVASSA-N 1 0 497.577 0.229 20 0 JCADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@@]4(C(=O)OC)CCOC4)CC3)cc2)CC1 ZINC001196274802 1069633443 /nfs/dbraw/zinc/63/34/43/1069633443.db2.gz JSKMKDLEOLIUET-DEOSSOPVSA-N 1 0 459.591 0.717 20 0 JCADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN([C@]4(C(=O)OC)CCOC4)CC3)cc2)CC1 ZINC001196274811 1069633538 /nfs/dbraw/zinc/63/35/38/1069633538.db2.gz JSKMKDLEOLIUET-XMMPIXPASA-N 1 0 459.591 0.717 20 0 JCADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc(N3CCOCC3=O)cc2)c2nonc21 ZINC001196279023 1069633398 /nfs/dbraw/zinc/63/33/98/1069633398.db2.gz KUIUELFSNWVWLY-UHFFFAOYSA-N 1 0 488.526 0.442 20 0 JCADRO C[NH+]1CCN(Cc2cn3c(n2)CN(S(=O)(=O)c2cccc(Br)n2)CC3)CC1 ZINC001196291009 1069634201 /nfs/dbraw/zinc/63/42/01/1069634201.db2.gz LPBJAOHYASXKTA-UHFFFAOYSA-N 1 0 455.382 0.993 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(S(=O)(=O)c1cccc(Br)n1)CC2 ZINC001196291283 1069634878 /nfs/dbraw/zinc/63/48/78/1069634878.db2.gz NWDFYZIICKBFID-UHFFFAOYSA-N 1 0 458.338 0.871 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(S(=O)(=O)c1cccc(Br)n1)CC2 ZINC001196297781 1069635486 /nfs/dbraw/zinc/63/54/86/1069635486.db2.gz OKDJSWNPIZWAAV-UHFFFAOYSA-N 1 0 474.425 0.703 20 0 JCADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccn(C(C)(C)C)n1)C(N)=O ZINC001196329001 1069636222 /nfs/dbraw/zinc/63/62/22/1069636222.db2.gz FKXDEZXATAWAOT-FHWLQOOXSA-N 1 0 491.637 0.483 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3snnc3CO)nc2C(N)=O)nc1C ZINC001196366017 1069639096 /nfs/dbraw/zinc/63/90/96/1069639096.db2.gz VWIQGXWINMQBNR-UONOGXRCSA-N 1 0 497.585 0.940 20 0 JCADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)c1snnc1CO)S(=O)(=O)c1ccc(C)cc1 ZINC001196367948 1069637584 /nfs/dbraw/zinc/63/75/84/1069637584.db2.gz HDOOSILFYUKQTO-HNNXBMFYSA-N 1 0 456.546 0.841 20 0 JCADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393232 1069638365 /nfs/dbraw/zinc/63/83/65/1069638365.db2.gz MAEJOJZRJHQVAP-FQEVSTJZSA-N 1 0 453.609 0.527 20 0 JCADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)ccn1 ZINC001196393234 1069638493 /nfs/dbraw/zinc/63/84/93/1069638493.db2.gz MAEJOJZRJHQVAP-HXUWFJFHSA-N 1 0 453.609 0.527 20 0 JCADRO CC(C)N(C(=O)c1cccc(S(C)(=O)=O)n1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001196410286 1069639861 /nfs/dbraw/zinc/63/98/61/1069639861.db2.gz RBSMQJHBNZFVEN-UHFFFAOYSA-N 1 0 474.587 0.855 20 0 JCADRO CS(=O)(=O)c1cccc(C(=O)N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)n1 ZINC001196411391 1069640540 /nfs/dbraw/zinc/64/05/40/1069640540.db2.gz AGILBYDBQXJXHO-UHFFFAOYSA-N 1 0 450.542 0.944 20 0 JCADRO CS(=O)(=O)c1cccc(C(=O)n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)n1 ZINC001196416531 1069641413 /nfs/dbraw/zinc/64/14/13/1069641413.db2.gz TXLSTNNMOFMSGQ-UHFFFAOYSA-N 1 0 453.484 0.764 20 0 JCADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cccc(=O)n1OCc1ccccc1 ZINC001196455634 1069642169 /nfs/dbraw/zinc/64/21/69/1069642169.db2.gz IZZDOKKJFLCYRY-UHFFFAOYSA-N 1 0 458.496 0.713 20 0 JCADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cccc(=O)n1OCc1ccccc1)CC2 ZINC001196456159 1069642150 /nfs/dbraw/zinc/64/21/50/1069642150.db2.gz PSOPLBFTXABCJH-UHFFFAOYSA-N 1 0 481.597 0.788 20 0 JCADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cccc(=O)n1OCc1ccccc1)CC2 ZINC001196456285 1069642771 /nfs/dbraw/zinc/64/27/71/1069642771.db2.gz RGDROIJDPIPVQW-UHFFFAOYSA-N 1 0 465.510 0.955 20 0 JCADRO CC(C)N(C(=O)c1nc(Br)c[nH]c1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001196492429 1069644969 /nfs/dbraw/zinc/64/49/69/1069644969.db2.gz AXDLWWMXOZQFJD-UHFFFAOYSA-N 1 0 492.378 0.902 20 0 JCADRO Cn1nnc2c1CCN(C(=O)c1nc(Br)c[nH]c1=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001196493232 1069644982 /nfs/dbraw/zinc/64/49/82/1069644982.db2.gz JNKMCDZDKWASOT-CYBMUJFWSA-N 1 0 466.340 0.513 20 0 JCADRO Cn1nnc2c1CCN(C(=O)c1nc(Br)c[nH]c1=O)[C@H]2COCC[NH+]1CCCC1 ZINC001196493236 1069645069 /nfs/dbraw/zinc/64/50/69/1069645069.db2.gz JNKMCDZDKWASOT-ZDUSSCGKSA-N 1 0 466.340 0.513 20 0 JCADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1nc(Br)c[nH]c1=O)CCC2 ZINC001196494302 1069645696 /nfs/dbraw/zinc/64/56/96/1069645696.db2.gz VTQIXDXFBTYLRJ-UHFFFAOYSA-N 1 0 451.325 0.975 20 0 JCADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)c4nc(Br)c[nH]c4=O)C3)O2)CC1 ZINC001196494307 1069645593 /nfs/dbraw/zinc/64/55/93/1069645593.db2.gz WCELGJQBKJPTTI-AUUYWEPGSA-N 1 0 454.369 0.934 20 0 JCADRO O=C(c1nc(Br)c[nH]c1=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001196497711 1069647028 /nfs/dbraw/zinc/64/70/28/1069647028.db2.gz MIZMGOLHXFOCJW-UHFFFAOYSA-N 1 0 468.333 0.992 20 0 JCADRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)c1nc(Br)c[nH]c1=O ZINC001196505548 1069643574 /nfs/dbraw/zinc/64/35/74/1069643574.db2.gz SIPJGQWCQDKBCP-UHFFFAOYSA-N 1 0 471.275 0.811 20 0 JCADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3c[nH]c(=O)c(C)n3)nc2C(N)=O)nc1C ZINC001196522655 1069644190 /nfs/dbraw/zinc/64/41/90/1069644190.db2.gz MEEFIJUJSPRCQB-JKSUJKDBSA-N 1 0 491.556 0.988 20 0 JCADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)c1c[nH]c(=O)c(C)n1)S(=O)(=O)c1ccc(C)cc1 ZINC001196528268 1069644356 /nfs/dbraw/zinc/64/43/56/1069644356.db2.gz BICXFNNQLUOESJ-KRWDZBQOSA-N 1 0 450.517 0.888 20 0 JCADRO O=C(C[N@H+]1CCC[C@@H](CO)[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001196554656 1069648617 /nfs/dbraw/zinc/64/86/17/1069648617.db2.gz WISNGIPGCQCAKZ-RBBKRZOGSA-N 1 0 465.616 0.464 20 0 JCADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)N[C@@H]2CCC[C@H]2O)CC1 ZINC001196556865 1069648704 /nfs/dbraw/zinc/64/87/04/1069648704.db2.gz NVXWFKHQADNPDE-WIYYLYMNSA-N 1 0 481.619 0.884 20 0 JCADRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@@H]1CO ZINC001196563378 1069647806 /nfs/dbraw/zinc/64/78/06/1069647806.db2.gz MEQLENOODZIMRR-SJLPKXTDSA-N 1 0 453.561 0.384 20 0 JCADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC001196627183 1069650110 /nfs/dbraw/zinc/65/01/10/1069650110.db2.gz VUQUWPWFKBUFJS-UHFFFAOYSA-N 1 0 451.553 0.892 20 0 JCADRO COCCN(C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001196632165 1069650667 /nfs/dbraw/zinc/65/06/67/1069650667.db2.gz MUCDWQOYSGVRHM-DZFIZOCASA-N 1 0 456.547 0.051 20 0 JCADRO CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OC ZINC001196654799 1069651250 /nfs/dbraw/zinc/65/12/50/1069651250.db2.gz FXOHMOMYBDBUSW-SCFUHWHPSA-N 1 0 453.569 0.110 20 0 JCADRO CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOC ZINC001196655226 1069651397 /nfs/dbraw/zinc/65/13/97/1069651397.db2.gz AFLRSEGCIISAAR-WVSUBDOOSA-N 1 0 497.622 0.127 20 0 JCADRO CC[NH+](CC)CCCNC(=S)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001196655817 1069651232 /nfs/dbraw/zinc/65/12/32/1069651232.db2.gz RUUCABNIZFOACD-XNIJJKJLSA-N 1 0 473.987 0.110 20 0 JCADRO CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1O ZINC001196656225 1069651334 /nfs/dbraw/zinc/65/13/34/1069651334.db2.gz YLIIALMGOUYXJF-SCFUHWHPSA-N 1 0 469.637 0.827 20 0 JCADRO CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001196660803 1069652126 /nfs/dbraw/zinc/65/21/26/1069652126.db2.gz UPPMHYCFJJOFSX-SCFUHWHPSA-N 1 0 456.544 0.200 20 0 JCADRO CC[NH+](CC)CCCNC(=S)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001196663034 1069652106 /nfs/dbraw/zinc/65/21/06/1069652106.db2.gz JUSAAKBRRZQNAO-ZWKOTPCHSA-N 1 0 482.676 0.616 20 0 JCADRO O=C(c1cccc(N2CCCC2)n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001196663980 1069652049 /nfs/dbraw/zinc/65/20/49/1069652049.db2.gz OZLJJWNHJXUNQR-PKOBYXMFSA-N 1 0 468.583 0.861 20 0 JCADRO CC[NH+](CC)CCCNC(=S)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001196666401 1069651864 /nfs/dbraw/zinc/65/18/64/1069651864.db2.gz DOSQMXUPZVYWFC-KZNAEPCWSA-N 1 0 460.666 0.187 20 0 JCADRO CC[NH+](CC)CCCNC(=S)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001196666405 1069652117 /nfs/dbraw/zinc/65/21/17/1069652117.db2.gz DOSQMXUPZVYWFC-RCCFBDPRSA-N 1 0 460.666 0.187 20 0 JCADRO CC[NH+](CC)CCCNC(=S)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001196667146 1069651908 /nfs/dbraw/zinc/65/19/08/1069651908.db2.gz LUGJISNYHTZZDO-NRFANRHFSA-N 1 0 473.709 0.799 20 0 JCADRO CC[NH+](CC)CCCNC(=S)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001196667153 1069652100 /nfs/dbraw/zinc/65/21/00/1069652100.db2.gz LUGJISNYHTZZDO-OAQYLSRUSA-N 1 0 473.709 0.799 20 0 JCADRO 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/nfs/dbraw/zinc/77/80/06/1067778006.db2.gz MCOYVUJIUOMYCE-MRXNPFEDSA-N 1 0 485.655 0.352 20 0 JCADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)CCO1 ZINC001299157707 1067781914 /nfs/dbraw/zinc/78/19/14/1067781914.db2.gz IOGBHNINFADBNY-ROUUACIJSA-N 1 0 495.625 0.880 20 0 JCADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)CCO1 ZINC001299157708 1067781991 /nfs/dbraw/zinc/78/19/91/1067781991.db2.gz IOGBHNINFADBNY-ZWKOTPCHSA-N 1 0 495.625 0.880 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001299158031 1067786678 /nfs/dbraw/zinc/78/66/78/1067786678.db2.gz PYIFJYKFEWEZCN-DOTOQJQBSA-N 1 0 467.640 0.725 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001299158032 1067786604 /nfs/dbraw/zinc/78/66/04/1067786604.db2.gz PYIFJYKFEWEZCN-NVXWUHKLSA-N 1 0 467.640 0.725 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001299158033 1067786631 /nfs/dbraw/zinc/78/66/31/1067786631.db2.gz PYIFJYKFEWEZCN-RDJZCZTQSA-N 1 0 467.640 0.725 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001299158034 1067786837 /nfs/dbraw/zinc/78/68/37/1067786837.db2.gz PYIFJYKFEWEZCN-WBVHZDCISA-N 1 0 467.640 0.725 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001299158411 1067791961 /nfs/dbraw/zinc/79/19/61/1067791961.db2.gz SNVRZXOAIMTEEO-HNNXBMFYSA-N 1 0 457.645 0.829 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001299158412 1067792333 /nfs/dbraw/zinc/79/23/33/1067792333.db2.gz SNVRZXOAIMTEEO-OAHLLOKOSA-N 1 0 457.645 0.829 20 0 JCADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001299158739 1067793817 /nfs/dbraw/zinc/79/38/17/1067793817.db2.gz NTVSNPCLSYECJK-BZSNNMDCSA-N 1 0 482.651 0.781 20 0 JCADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CC[NH+](C)CC2)CCO1 ZINC001299158741 1067793922 /nfs/dbraw/zinc/79/39/22/1067793922.db2.gz NTVSNPCLSYECJK-KSZLIROESA-N 1 0 482.651 0.781 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001299159003 1067795413 /nfs/dbraw/zinc/79/54/13/1067795413.db2.gz YZJIOCXDOLODMO-HKUYNNGSSA-N 1 0 499.682 0.598 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001299159013 1067795229 /nfs/dbraw/zinc/79/52/29/1067795229.db2.gz YZJIOCXDOLODMO-IEBWSBKVSA-N 1 0 499.682 0.598 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001299159014 1067795485 /nfs/dbraw/zinc/79/54/85/1067795485.db2.gz YZJIOCXDOLODMO-MJGOQNOKSA-N 1 0 499.682 0.598 20 0 JCADRO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001299159021 1067795369 /nfs/dbraw/zinc/79/53/69/1067795369.db2.gz YZJIOCXDOLODMO-PKOBYXMFSA-N 1 0 499.682 0.598 20 0 JCADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299159673 1067797174 /nfs/dbraw/zinc/79/71/74/1067797174.db2.gz WBYMWQRGBNDDPP-MPWIWIEXSA-N 1 0 450.584 0.215 20 0 JCADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299159674 1067797193 /nfs/dbraw/zinc/79/71/93/1067797193.db2.gz WBYMWQRGBNDDPP-PEOGOYOCSA-N 1 0 450.584 0.215 20 0 JCADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299159675 1067797258 /nfs/dbraw/zinc/79/72/58/1067797258.db2.gz WBYMWQRGBNDDPP-SVQXRNPESA-N 1 0 450.584 0.215 20 0 JCADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299159676 1067797346 /nfs/dbraw/zinc/79/73/46/1067797346.db2.gz WBYMWQRGBNDDPP-WBYLCXCBSA-N 1 0 450.584 0.215 20 0 JCADRO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2CCOCC2)CC1 ZINC001299175417 1069482847 /nfs/dbraw/zinc/48/28/47/1069482847.db2.gz WEDCCWPDTIEOIF-UHFFFAOYSA-N 1 0 461.611 0.865 20 0 JCADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299184439 1069892334 /nfs/dbraw/zinc/89/23/34/1069892334.db2.gz HCUWRHLAUNUBOQ-NRFANRHFSA-N 1 0 464.592 0.378 20 0 JCADRO CNC(=O)CCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299184441 1069892064 /nfs/dbraw/zinc/89/20/64/1069892064.db2.gz HCUWRHLAUNUBOQ-OAQYLSRUSA-N 1 0 464.592 0.378 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001299191457 1069924207 /nfs/dbraw/zinc/92/42/07/1069924207.db2.gz CUNJQLOPNNWRTA-INIZCTEOSA-N 1 0 471.628 0.058 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001299191460 1069924191 /nfs/dbraw/zinc/92/41/91/1069924191.db2.gz CUNJQLOPNNWRTA-MRXNPFEDSA-N 1 0 471.628 0.058 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299192585 1069926354 /nfs/dbraw/zinc/92/63/54/1069926354.db2.gz MPKMBOJUILYLPV-GAJHUEQPSA-N 1 0 495.625 0.616 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299192586 1069926448 /nfs/dbraw/zinc/92/64/48/1069926448.db2.gz MPKMBOJUILYLPV-HXOBKFHXSA-N 1 0 495.625 0.616 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299192587 1069926659 /nfs/dbraw/zinc/92/66/59/1069926659.db2.gz MPKMBOJUILYLPV-SBUREZEXSA-N 1 0 495.625 0.616 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299192588 1069926535 /nfs/dbraw/zinc/92/65/35/1069926535.db2.gz MPKMBOJUILYLPV-UZUQRXQVSA-N 1 0 495.625 0.616 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001299192798 1069926623 /nfs/dbraw/zinc/92/66/23/1069926623.db2.gz PJKRECIVSRMQRA-KRWDZBQOSA-N 1 0 469.656 0.169 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001299192799 1069926408 /nfs/dbraw/zinc/92/64/08/1069926408.db2.gz PJKRECIVSRMQRA-QGZVFWFLSA-N 1 0 469.656 0.169 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001299192841 1069926677 /nfs/dbraw/zinc/92/66/77/1069926677.db2.gz QKCGGCCUOLDMFD-BEFAXECRSA-N 1 0 458.654 0.580 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001299192842 1069926502 /nfs/dbraw/zinc/92/65/02/1069926502.db2.gz QKCGGCCUOLDMFD-DNVCBOLYSA-N 1 0 458.654 0.580 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001299192843 1069927440 /nfs/dbraw/zinc/92/74/40/1069927440.db2.gz QKCGGCCUOLDMFD-HNAYVOBHSA-N 1 0 458.654 0.580 20 0 JCADRO CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001299192844 1069927509 /nfs/dbraw/zinc/92/75/09/1069927509.db2.gz QKCGGCCUOLDMFD-KXBFYZLASA-N 1 0 458.654 0.580 20 0 JCADRO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001299203686 1070066055 /nfs/dbraw/zinc/06/60/55/1070066055.db2.gz QVPJHTMOYNIWOF-IFMALSPDSA-N 1 0 450.605 0.912 20 0 JCADRO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001299203687 1070066131 /nfs/dbraw/zinc/06/61/31/1070066131.db2.gz QVPJHTMOYNIWOF-IRLDBZIGSA-N 1 0 450.605 0.912 20 0 JCADRO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001299203688 1070066168 /nfs/dbraw/zinc/06/61/68/1070066168.db2.gz QVPJHTMOYNIWOF-RBBKRZOGSA-N 1 0 450.605 0.912 20 0 JCADRO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001299203689 1070065890 /nfs/dbraw/zinc/06/58/90/1070065890.db2.gz QVPJHTMOYNIWOF-UNMCSNQZSA-N 1 0 450.605 0.912 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001299205056 1070087126 /nfs/dbraw/zinc/08/71/26/1070087126.db2.gz SRHQGAGGPPSQOR-JYJNAYRXSA-N 1 0 473.644 0.348 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001299205057 1070086771 /nfs/dbraw/zinc/08/67/71/1070086771.db2.gz SRHQGAGGPPSQOR-OAGGEKHMSA-N 1 0 473.644 0.348 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299205060 1070086989 /nfs/dbraw/zinc/08/69/89/1070086989.db2.gz SRHQGAGGPPSQOR-OWCLPIDISA-N 1 0 473.644 0.348 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299205062 1070086649 /nfs/dbraw/zinc/08/66/49/1070086649.db2.gz SRHQGAGGPPSQOR-XHSDSOJGSA-N 1 0 473.644 0.348 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001299218493 1067910122 /nfs/dbraw/zinc/91/01/22/1067910122.db2.gz BAWUBTDSXGSKFI-CVEARBPZSA-N 1 0 499.663 0.548 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001299218494 1067910143 /nfs/dbraw/zinc/91/01/43/1067910143.db2.gz BAWUBTDSXGSKFI-HOTGVXAUSA-N 1 0 499.663 0.548 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001299218495 1067910171 /nfs/dbraw/zinc/91/01/71/1067910171.db2.gz BAWUBTDSXGSKFI-HZPDHXFCSA-N 1 0 499.663 0.548 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001299218496 1067910196 /nfs/dbraw/zinc/91/01/96/1067910196.db2.gz BAWUBTDSXGSKFI-JKSUJKDBSA-N 1 0 499.663 0.548 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299219488 1067975906 /nfs/dbraw/zinc/97/59/06/1067975906.db2.gz HNEKMFHLQSUEEQ-AOMKIAJQSA-N 1 0 481.598 0.225 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299219489 1067976018 /nfs/dbraw/zinc/97/60/18/1067976018.db2.gz HNEKMFHLQSUEEQ-KSFYIVLOSA-N 1 0 481.598 0.225 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001299219491 1067976091 /nfs/dbraw/zinc/97/60/91/1067976091.db2.gz HNEKMFHLQSUEEQ-OPAMFIHVSA-N 1 0 481.598 0.225 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299219493 1067975978 /nfs/dbraw/zinc/97/59/78/1067975978.db2.gz HNEKMFHLQSUEEQ-ZHRRBRCNSA-N 1 0 481.598 0.225 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001299219902 1068014583 /nfs/dbraw/zinc/01/45/83/1068014583.db2.gz JVVOANMDNQMQJF-MSOLQXFVSA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001299219903 1068014427 /nfs/dbraw/zinc/01/44/27/1068014427.db2.gz JVVOANMDNQMQJF-QZTJIDSGSA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001299219904 1068014347 /nfs/dbraw/zinc/01/43/47/1068014347.db2.gz JVVOANMDNQMQJF-ROUUACIJSA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001299219905 1068014541 /nfs/dbraw/zinc/01/45/41/1068014541.db2.gz JVVOANMDNQMQJF-ZWKOTPCHSA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001299221065 1068031049 /nfs/dbraw/zinc/03/10/49/1068031049.db2.gz NSQBAUCJGVIDKB-MSOLQXFVSA-N 1 0 499.682 0.694 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001299221067 1068031103 /nfs/dbraw/zinc/03/11/03/1068031103.db2.gz NSQBAUCJGVIDKB-QZTJIDSGSA-N 1 0 499.682 0.694 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001299221068 1068030963 /nfs/dbraw/zinc/03/09/63/1068030963.db2.gz NSQBAUCJGVIDKB-ROUUACIJSA-N 1 0 499.682 0.694 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001299221069 1068030927 /nfs/dbraw/zinc/03/09/27/1068030927.db2.gz NSQBAUCJGVIDKB-ZWKOTPCHSA-N 1 0 499.682 0.694 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001299221127 1068038144 /nfs/dbraw/zinc/03/81/44/1068038144.db2.gz PFVZMEURDXLYDS-DLBZAZTESA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001299221128 1068038483 /nfs/dbraw/zinc/03/84/83/1068038483.db2.gz PFVZMEURDXLYDS-IAGOWNOFSA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001299221129 1068039276 /nfs/dbraw/zinc/03/92/76/1068039276.db2.gz PFVZMEURDXLYDS-IRXDYDNUSA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001299221130 1068039902 /nfs/dbraw/zinc/03/99/02/1068039902.db2.gz PFVZMEURDXLYDS-SJORKVTESA-N 1 0 485.655 0.304 20 0 JCADRO CNC(=O)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001299223562 1068141360 /nfs/dbraw/zinc/14/13/60/1068141360.db2.gz CCMKUAQLIOPSAR-LJQANCHMSA-N 1 0 468.606 0.494 20 0 JCADRO CNC(=O)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1cnnn1C ZINC001299223702 1068145827 /nfs/dbraw/zinc/14/58/27/1068145827.db2.gz DPSZEXVUQSCCAY-UHFFFAOYSA-N 1 0 466.594 0.392 20 0 JCADRO CNC(=O)CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1nncn1C ZINC001299223989 1068173586 /nfs/dbraw/zinc/17/35/86/1068173586.db2.gz HKBZSFOFLYFIAO-UHFFFAOYSA-N 1 0 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CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001299305378 1069841976 /nfs/dbraw/zinc/84/19/76/1069841976.db2.gz GDKANVKHVZTGDA-UHFFFAOYSA-N 1 0 464.621 0.654 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001299305803 1069841876 /nfs/dbraw/zinc/84/18/76/1069841876.db2.gz IEEBKSDSSRJNOQ-UHFFFAOYSA-N 1 0 466.612 0.309 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001299305879 1069841765 /nfs/dbraw/zinc/84/17/65/1069841765.db2.gz JJZDRKIBEHEXRY-IBGZPJMESA-N 1 0 472.575 0.140 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001299305881 1069841697 /nfs/dbraw/zinc/84/16/97/1069841697.db2.gz JJZDRKIBEHEXRY-LJQANCHMSA-N 1 0 472.575 0.140 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299305920 1069842520 /nfs/dbraw/zinc/84/25/20/1069842520.db2.gz JOQVLSFOIZJUIR-HDICACEKSA-N 1 0 464.640 0.817 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001299305921 1069842253 /nfs/dbraw/zinc/84/22/53/1069842253.db2.gz JOQVLSFOIZJUIR-QZTJIDSGSA-N 1 0 464.640 0.817 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001299305923 1069842564 /nfs/dbraw/zinc/84/25/64/1069842564.db2.gz JOQVLSFOIZJUIR-ROUUACIJSA-N 1 0 464.640 0.817 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299306029 1069842780 /nfs/dbraw/zinc/84/27/80/1069842780.db2.gz KRFOOWWXUSMSRP-HDICACEKSA-N 1 0 477.639 0.279 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001299306079 1069842192 /nfs/dbraw/zinc/84/21/92/1069842192.db2.gz KRFOOWWXUSMSRP-QZTJIDSGSA-N 1 0 477.639 0.279 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001299306080 1069842736 /nfs/dbraw/zinc/84/27/36/1069842736.db2.gz KRFOOWWXUSMSRP-ROUUACIJSA-N 1 0 477.639 0.279 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001299306100 1069842868 /nfs/dbraw/zinc/84/28/68/1069842868.db2.gz LSPJQHCFPMVQKA-GOSISDBHSA-N 1 0 488.618 0.837 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001299306101 1069842404 /nfs/dbraw/zinc/84/24/04/1069842404.db2.gz LSPJQHCFPMVQKA-SFHVURJKSA-N 1 0 488.618 0.837 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001299306120 1069842604 /nfs/dbraw/zinc/84/26/04/1069842604.db2.gz MGHDMONKGMQEIE-FQEVSTJZSA-N 1 0 492.650 0.121 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001299306121 1069842283 /nfs/dbraw/zinc/84/22/83/1069842283.db2.gz MGHDMONKGMQEIE-HXUWFJFHSA-N 1 0 492.650 0.121 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001299307097 1069844997 /nfs/dbraw/zinc/84/49/97/1069844997.db2.gz ZJUGKSMCSMVFEU-UHFFFAOYSA-N 1 0 456.576 0.915 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299308870 1069844332 /nfs/dbraw/zinc/84/43/32/1069844332.db2.gz USYLIXJTVAOUTD-KDURUIRLSA-N 1 0 476.651 0.884 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001299308871 1069844392 /nfs/dbraw/zinc/84/43/92/1069844392.db2.gz USYLIXJTVAOUTD-OALUTQOASA-N 1 0 476.651 0.884 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001299308874 1069844300 /nfs/dbraw/zinc/84/43/00/1069844300.db2.gz USYLIXJTVAOUTD-RTBURBONSA-N 1 0 476.651 0.884 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001299309308 1069845650 /nfs/dbraw/zinc/84/56/50/1069845650.db2.gz XSKDLKOTZSLIIG-INIZCTEOSA-N 1 0 451.597 0.522 20 0 JCADRO CNS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001299309330 1069845412 /nfs/dbraw/zinc/84/54/12/1069845412.db2.gz YHHUWWAYGDKQNQ-UHFFFAOYSA-N 1 0 496.037 0.892 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001299311233 1069849805 /nfs/dbraw/zinc/84/98/05/1069849805.db2.gz HDNRNPYLMNTFOA-FQEVSTJZSA-N 1 0 491.662 0.980 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001299311237 1069849757 /nfs/dbraw/zinc/84/97/57/1069849757.db2.gz HDNRNPYLMNTFOA-HXUWFJFHSA-N 1 0 491.662 0.980 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001299311241 1069849913 /nfs/dbraw/zinc/84/99/13/1069849913.db2.gz HJUCTTYIGXQNGR-GOSISDBHSA-N 1 0 480.639 0.519 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001299311242 1069850061 /nfs/dbraw/zinc/85/00/61/1069850061.db2.gz HJUCTTYIGXQNGR-SFHVURJKSA-N 1 0 480.639 0.519 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001299311799 1069850303 /nfs/dbraw/zinc/85/03/03/1069850303.db2.gz LSIXFUVKZUIGFB-AEFFLSMTSA-N 1 0 461.592 0.489 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001299311800 1069849956 /nfs/dbraw/zinc/84/99/56/1069849956.db2.gz LSIXFUVKZUIGFB-SJLPKXTDSA-N 1 0 461.592 0.489 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001299312053 1069851242 /nfs/dbraw/zinc/85/12/42/1069851242.db2.gz NMSOBNAZHVJYOC-MSOLQXFVSA-N 1 0 456.613 0.618 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001299312055 1069851107 /nfs/dbraw/zinc/85/11/07/1069851107.db2.gz NMSOBNAZHVJYOC-QZTJIDSGSA-N 1 0 456.613 0.618 20 0 JCADRO CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001299312085 1069851035 /nfs/dbraw/zinc/85/10/35/1069851035.db2.gz NRJGLVALJKIQHR-KRWDZBQOSA-N 1 0 453.613 0.228 20 0 JCADRO CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001299312086 1069850733 /nfs/dbraw/zinc/85/07/33/1069850733.db2.gz NRJGLVALJKIQHR-QGZVFWFLSA-N 1 0 453.613 0.228 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001299312544 1069845302 /nfs/dbraw/zinc/84/53/02/1069845302.db2.gz QMPXQOWBRXAXQK-GOSISDBHSA-N 1 0 466.612 0.515 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001299312545 1069845724 /nfs/dbraw/zinc/84/57/24/1069845724.db2.gz QMPXQOWBRXAXQK-SFHVURJKSA-N 1 0 466.612 0.515 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001299312731 1069846266 /nfs/dbraw/zinc/84/62/66/1069846266.db2.gz STNWQSXNQXYSGR-MOPGFXCFSA-N 1 0 475.619 0.879 20 0 JCADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001299312732 1069846151 /nfs/dbraw/zinc/84/61/51/1069846151.db2.gz STNWQSXNQXYSGR-OALUTQOASA-N 1 0 475.619 0.879 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001299312733 1069846611 /nfs/dbraw/zinc/84/66/11/1069846611.db2.gz STNWQSXNQXYSGR-RBUKOAKNSA-N 1 0 475.619 0.879 20 0 JCADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001299312734 1069846179 /nfs/dbraw/zinc/84/61/79/1069846179.db2.gz STNWQSXNQXYSGR-RTBURBONSA-N 1 0 475.619 0.879 20 0 JCADRO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001299313384 1069847090 /nfs/dbraw/zinc/84/70/90/1069847090.db2.gz DNMWTZKUZAVQQB-UHFFFAOYSA-N 1 0 463.608 0.362 20 0 JCADRO CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001299313678 1069848026 /nfs/dbraw/zinc/84/80/26/1069848026.db2.gz HIVLPWXNFUFNLW-UHFFFAOYSA-N 1 0 493.609 0.302 20 0 JCADRO CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001299313739 1069848773 /nfs/dbraw/zinc/84/87/73/1069848773.db2.gz JDFFMENWGIZJHL-UHFFFAOYSA-N 1 0 492.646 0.975 20 0 JCADRO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299314105 1069851984 /nfs/dbraw/zinc/85/19/84/1069851984.db2.gz VGTONXUOLAVSJR-BGYRXZFFSA-N 1 0 490.678 0.808 20 0 JCADRO 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