smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N1CCC(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000009985708 1070002904 /nfs/dbraw/zinc/00/29/04/1070002904.db2.gz MXWXHADWMVPCHB-UHFFFAOYSA-N 1 2 453.561 0.350 20 0 JCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1OC ZINC000009986896 1070003093 /nfs/dbraw/zinc/00/30/93/1070003093.db2.gz NQEUESFGLHUAIB-UHFFFAOYSA-N 1 2 497.614 0.871 20 0 JCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000010049870 1068422845 /nfs/dbraw/zinc/42/28/45/1068422845.db2.gz MPPCALWCUZVLFJ-QGZVFWFLSA-N 1 2 464.544 0.896 20 0 JCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000010049870 1068422836 /nfs/dbraw/zinc/42/28/36/1068422836.db2.gz MPPCALWCUZVLFJ-QGZVFWFLSA-N 1 2 464.544 0.896 20 0 JCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000010049872 1068422861 /nfs/dbraw/zinc/42/28/61/1068422861.db2.gz MPPCALWCUZVLFJ-KRWDZBQOSA-N 1 2 464.544 0.896 20 0 JCADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000010049872 1068422858 /nfs/dbraw/zinc/42/28/58/1068422858.db2.gz MPPCALWCUZVLFJ-KRWDZBQOSA-N 1 2 464.544 0.896 20 0 JCADLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000010053999 1069508135 /nfs/dbraw/zinc/50/81/35/1069508135.db2.gz RBLGHRRDUVTGRE-UHFFFAOYSA-N 1 2 452.577 0.755 20 0 JCADLO NC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCN(C(=O)CN3CCOCC3)CC1)CCCC2 ZINC000010096009 1070005898 /nfs/dbraw/zinc/00/58/98/1070005898.db2.gz MTPUEEHUMMYNCM-UHFFFAOYSA-N 1 2 463.604 0.531 20 0 JCADLO O=C(COC(=O)CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010203574 1070007698 /nfs/dbraw/zinc/00/76/98/1070007698.db2.gz CBTBGGVZPRDTRA-UHFFFAOYSA-N 1 2 472.523 0.739 20 0 JCADLO Cc1cc(N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000010257921 1069267110 /nfs/dbraw/zinc/26/71/10/1069267110.db2.gz WXDJOJSPYZARRA-UHFFFAOYSA-N 1 2 451.325 0.870 20 0 JCADLO O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010321522 1070009868 /nfs/dbraw/zinc/00/98/68/1070009868.db2.gz WMSNRWHJGIYPRA-UHFFFAOYSA-N 1 2 460.512 0.498 20 0 JCADLO Cc1cc(N)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000010350897 1068073078 /nfs/dbraw/zinc/07/30/78/1068073078.db2.gz OZZWNFMAQZPSME-UHFFFAOYSA-N 1 2 465.557 0.764 20 0 JCADLO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000010657405 1070022099 /nfs/dbraw/zinc/02/20/99/1070022099.db2.gz VGGLCOMGRLSJHV-UHFFFAOYSA-N 1 2 472.527 0.337 20 0 JCADLO O=C(COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010913563 1070035170 /nfs/dbraw/zinc/03/51/70/1070035170.db2.gz PRUOBIBPEIEEGQ-UHFFFAOYSA-N 1 2 452.467 0.704 20 0 JCADLO Cc1cc(N2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)nc(C(C)C)[nH+]1 ZINC000011077652 1069270428 /nfs/dbraw/zinc/27/04/28/1069270428.db2.gz BFKPPGHYGGYKKX-UHFFFAOYSA-N 1 2 454.535 0.394 20 0 JCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)cc1OC ZINC000011398297 1070080292 /nfs/dbraw/zinc/08/02/92/1070080292.db2.gz GHANBRKZZFZYOF-SFHVURJKSA-N 1 2 483.587 0.624 20 0 JCADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)Cn3cnc4c(cnn4C)c3=O)CC2)cc1OC ZINC000011483163 1070082824 /nfs/dbraw/zinc/08/28/24/1070082824.db2.gz ZRAKLTLFSYJBHY-UHFFFAOYSA-N 1 2 498.540 0.343 20 0 JCADLO Cn1c2ncn(CCC(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000011526386 1068078971 /nfs/dbraw/zinc/07/89/71/1068078971.db2.gz NXXVXTXJRICMHW-UHFFFAOYSA-N 1 2 467.530 0.043 20 0 JCADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000011526400 1068079321 /nfs/dbraw/zinc/07/93/21/1068079321.db2.gz SQZYKYWTOYOJML-UHFFFAOYSA-N 1 2 489.598 0.879 20 0 JCADLO O=C(CNC1=NS(=O)(=O)c2ccccc21)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000011586456 1070087624 /nfs/dbraw/zinc/08/76/24/1070087624.db2.gz GIZKFNYZHGMDIM-UHFFFAOYSA-N 1 2 455.540 0.944 20 0 JCADLO CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000011672348 1070094204 /nfs/dbraw/zinc/09/42/04/1070094204.db2.gz WHKPYLRPXOYHIB-UHFFFAOYSA-N 1 2 453.609 0.662 20 0 JCADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)c(=O)n2C ZINC000012393142 1069465458 /nfs/dbraw/zinc/46/54/58/1069465458.db2.gz CDFAKMAPGGIVCT-UHFFFAOYSA-N 1 2 464.448 0.797 20 0 JCADLO COc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000013725908 1069661200 /nfs/dbraw/zinc/66/12/00/1069661200.db2.gz IIQFSOKJTMTGHC-UHFFFAOYSA-N 1 2 464.544 0.989 20 0 JCADLO CN(C)S(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000013726017 1069661257 /nfs/dbraw/zinc/66/12/57/1069661257.db2.gz XFKYSNFGAPGCJZ-UHFFFAOYSA-N 1 2 481.600 0.214 20 0 JCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000013726049 1070065062 /nfs/dbraw/zinc/06/50/62/1070065062.db2.gz JVDOUBFSZAUKDP-GOSISDBHSA-N 1 2 457.556 0.703 20 0 JCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000013726056 1070064993 /nfs/dbraw/zinc/06/49/93/1070064993.db2.gz JVDOUBFSZAUKDP-SFHVURJKSA-N 1 2 457.556 0.703 20 0 JCADLO COc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cc1 ZINC000013726072 1069660984 /nfs/dbraw/zinc/66/09/84/1069660984.db2.gz VONWORQBPPHWCL-SFHVURJKSA-N 1 2 487.582 0.711 20 0 JCADLO COc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cc1 ZINC000013726078 1069661157 /nfs/dbraw/zinc/66/11/57/1069661157.db2.gz VONWORQBPPHWCL-GOSISDBHSA-N 1 2 487.582 0.711 20 0 JCADLO O=C(CCN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013726143 1069661121 /nfs/dbraw/zinc/66/11/21/1069661121.db2.gz VKFMEYLBKVOFNR-UHFFFAOYSA-N 1 2 471.539 0.336 20 0 JCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000013726162 1067752170 /nfs/dbraw/zinc/75/21/70/1067752170.db2.gz QZPIIMMQTWFWRA-UHFFFAOYSA-N 1 2 471.539 0.617 20 0 JCADLO O=C(CCCN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013726168 1070064933 /nfs/dbraw/zinc/06/49/33/1070064933.db2.gz XHKMIESUWRLSBJ-UHFFFAOYSA-N 1 2 485.566 0.726 20 0 JCADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014142437 1070148884 /nfs/dbraw/zinc/14/88/84/1070148884.db2.gz VYLWPPCEORDFDR-UHFFFAOYSA-N 1 2 466.516 0.584 20 0 JCADLO COC(=O)c1sc(NC(=O)CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c(C(=O)OC)c1C ZINC000014324884 1067649841 /nfs/dbraw/zinc/64/98/41/1067649841.db2.gz DBNIODVKKVDASQ-UHFFFAOYSA-N 1 2 496.586 0.435 20 0 JCADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1C ZINC000014731108 1069558797 /nfs/dbraw/zinc/55/87/97/1069558797.db2.gz IGTOEWOHNPSKHZ-UHFFFAOYSA-N 1 2 457.560 0.997 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000014731126 1069558768 /nfs/dbraw/zinc/55/87/68/1069558768.db2.gz WTOZNJQHRRHMMM-HNNXBMFYSA-N 1 2 463.498 0.836 20 0 JCADLO 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Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000014731348 1070155972 /nfs/dbraw/zinc/15/59/72/1070155972.db2.gz TUCWFSWAYOZVFA-RIYZIHGNSA-N 1 2 455.544 0.992 20 0 JCADLO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000014731350 1067660734 /nfs/dbraw/zinc/66/07/34/1067660734.db2.gz HZDYWFHGDNDCSK-UHFFFAOYSA-N 1 2 471.543 0.775 20 0 JCADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n(C)c1 ZINC000014853720 1070161142 /nfs/dbraw/zinc/16/11/42/1070161142.db2.gz OVNUYUQHHCGECU-UHFFFAOYSA-N 1 2 460.564 0.695 20 0 JCADLO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCN(S(C)(=O)=O)CC2)c1 ZINC000015401158 1069548630 /nfs/dbraw/zinc/54/86/30/1069548630.db2.gz KUFFCPOKWPDSQB-UHFFFAOYSA-N 1 2 452.986 0.496 20 0 JCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000015403794 1069279679 /nfs/dbraw/zinc/27/96/79/1069279679.db2.gz CYOZCQQGFOCXPN-UHFFFAOYSA-N 1 2 459.572 0.745 20 0 JCADLO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015450825 1069280294 /nfs/dbraw/zinc/28/02/94/1069280294.db2.gz VGYHXHOAYDEUSK-QGZVFWFLSA-N 1 2 450.561 0.767 20 0 JCADLO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015450825 1069280282 /nfs/dbraw/zinc/28/02/82/1069280282.db2.gz VGYHXHOAYDEUSK-QGZVFWFLSA-N 1 2 450.561 0.767 20 0 JCADLO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015450826 1069280068 /nfs/dbraw/zinc/28/00/68/1069280068.db2.gz VGYHXHOAYDEUSK-KRWDZBQOSA-N 1 2 450.561 0.767 20 0 JCADLO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015450826 1069280055 /nfs/dbraw/zinc/28/00/55/1069280055.db2.gz VGYHXHOAYDEUSK-KRWDZBQOSA-N 1 2 450.561 0.767 20 0 JCADLO CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015450837 1069280262 /nfs/dbraw/zinc/28/02/62/1069280262.db2.gz PUEKWTKACGTZAC-LJQANCHMSA-N 1 2 452.577 0.083 20 0 JCADLO CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015450838 1069280187 /nfs/dbraw/zinc/28/01/87/1069280187.db2.gz PUEKWTKACGTZAC-IBGZPJMESA-N 1 2 452.577 0.083 20 0 JCADLO COc1ccc(C(=O)NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000015523277 1070170890 /nfs/dbraw/zinc/17/08/90/1070170890.db2.gz ZNTFCYVNIVGUSO-UHFFFAOYSA-N 1 2 474.539 0.950 20 0 JCADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000015524419 1069281329 /nfs/dbraw/zinc/28/13/29/1069281329.db2.gz JIBIBRJOYMBXSS-UHFFFAOYSA-N 1 2 455.559 0.996 20 0 JCADLO Cn1c2ncn(CC(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000015767417 1069558677 /nfs/dbraw/zinc/55/86/77/1069558677.db2.gz BJAZQXHQAFZOAR-UHFFFAOYSA-N 1 2 464.448 0.797 20 0 JCADLO COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000016280640 1069944263 /nfs/dbraw/zinc/94/42/63/1069944263.db2.gz RKOBXXVCXDRQJB-UHFFFAOYSA-N 1 2 463.512 0.970 20 0 JCADLO 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CCOc1ccccc1C(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000030698815 1069384056 /nfs/dbraw/zinc/38/40/56/1069384056.db2.gz CJLCHRQZDVNGDN-NRFANRHFSA-N 1 2 495.646 0.476 20 0 JCADLO CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000030698823 1069384200 /nfs/dbraw/zinc/38/42/00/1069384200.db2.gz CJLCHRQZDVNGDN-OAQYLSRUSA-N 1 2 495.646 0.476 20 0 JCADLO COc1ccc(C(=O)N[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000030698828 1069384000 /nfs/dbraw/zinc/38/40/00/1069384000.db2.gz KNSORRGCPSZXJL-FQEVSTJZSA-N 1 2 481.619 0.086 20 0 JCADLO COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000030698834 1069384103 /nfs/dbraw/zinc/38/41/03/1069384103.db2.gz KNSORRGCPSZXJL-HXUWFJFHSA-N 1 2 481.619 0.086 20 0 JCADLO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030698850 1069384132 /nfs/dbraw/zinc/38/41/32/1069384132.db2.gz HRFPLTGTTWEISU-LJQANCHMSA-N 1 2 469.583 0.217 20 0 JCADLO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030698856 1069384154 /nfs/dbraw/zinc/38/41/54/1069384154.db2.gz HRFPLTGTTWEISU-IBGZPJMESA-N 1 2 469.583 0.217 20 0 JCADLO Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000030698876 1069384962 /nfs/dbraw/zinc/38/49/62/1069384962.db2.gz JVNPEWSHNYKDIB-HXUWFJFHSA-N 1 2 465.620 0.386 20 0 JCADLO Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000030698881 1069384850 /nfs/dbraw/zinc/38/48/50/1069384850.db2.gz JVNPEWSHNYKDIB-FQEVSTJZSA-N 1 2 465.620 0.386 20 0 JCADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1OCC(C)C ZINC000030698966 1069384617 /nfs/dbraw/zinc/38/46/17/1069384617.db2.gz WRPRDGJYDDQEIU-UHFFFAOYSA-N 1 2 454.593 0.980 20 0 JCADLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030699014 1069384930 /nfs/dbraw/zinc/38/49/30/1069384930.db2.gz DAGVZDKGSSCONT-OAQYLSRUSA-N 1 2 479.647 0.776 20 0 JCADLO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030699019 1069384796 /nfs/dbraw/zinc/38/47/96/1069384796.db2.gz DAGVZDKGSSCONT-NRFANRHFSA-N 1 2 479.647 0.776 20 0 JCADLO COc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000030699109 1069384885 /nfs/dbraw/zinc/38/48/85/1069384885.db2.gz UWDNVXAPZAMRDY-UHFFFAOYSA-N 1 2 468.576 0.303 20 0 JCADLO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030699186 1069384993 /nfs/dbraw/zinc/38/49/93/1069384993.db2.gz BCLSCNQXPILBFD-GOSISDBHSA-N 1 2 483.660 0.692 20 0 JCADLO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000030699195 1069384764 /nfs/dbraw/zinc/38/47/64/1069384764.db2.gz BCLSCNQXPILBFD-SFHVURJKSA-N 1 2 483.660 0.692 20 0 JCADLO Cc1cccc(NC(=O)CSCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030699245 1069384687 /nfs/dbraw/zinc/38/46/87/1069384687.db2.gz RBTUIYOICDNGGL-UHFFFAOYSA-N 1 2 469.633 0.303 20 0 JCADLO Cc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)c1C ZINC000030699357 1069384584 /nfs/dbraw/zinc/38/45/84/1069384584.db2.gz ZPTMGZHWFZWVOZ-IBGZPJMESA-N 1 2 463.604 0.293 20 0 JCADLO Cc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)c1C ZINC000030699363 1069384656 /nfs/dbraw/zinc/38/46/56/1069384656.db2.gz ZPTMGZHWFZWVOZ-LJQANCHMSA-N 1 2 463.604 0.293 20 0 JCADLO CCc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC000030699513 1070106745 /nfs/dbraw/zinc/10/67/45/1070106745.db2.gz UKRRFRRNKUQDRD-IBGZPJMESA-N 1 2 463.604 0.238 20 0 JCADLO CCc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC000030699521 1070106678 /nfs/dbraw/zinc/10/66/78/1070106678.db2.gz UKRRFRRNKUQDRD-LJQANCHMSA-N 1 2 463.604 0.238 20 0 JCADLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030699532 1067889126 /nfs/dbraw/zinc/88/91/26/1067889126.db2.gz KATLUQYNWFUINW-GOSISDBHSA-N 1 2 479.647 0.739 20 0 JCADLO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030699541 1067889089 /nfs/dbraw/zinc/88/90/89/1067889089.db2.gz KATLUQYNWFUINW-SFHVURJKSA-N 1 2 479.647 0.739 20 0 JCADLO CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000030699552 1069384704 /nfs/dbraw/zinc/38/47/04/1069384704.db2.gz GUHVMLSZOHOAHK-SFHVURJKSA-N 1 2 479.603 0.075 20 0 JCADLO CCOc1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000030699560 1069384631 /nfs/dbraw/zinc/38/46/31/1069384631.db2.gz GUHVMLSZOHOAHK-GOSISDBHSA-N 1 2 479.603 0.075 20 0 JCADLO COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030699573 1069703549 /nfs/dbraw/zinc/70/35/49/1069703549.db2.gz HUHYJADYGJXALK-UHFFFAOYSA-N 1 2 461.382 0.708 20 0 JCADLO C[C@@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2NC1=O ZINC000030699847 1069384731 /nfs/dbraw/zinc/38/47/31/1069384731.db2.gz ZFGURGRAJSENMS-AWEZNQCLSA-N 1 2 453.590 0.369 20 0 JCADLO C[C@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2NC1=O ZINC000030699852 1069385549 /nfs/dbraw/zinc/38/55/49/1069385549.db2.gz ZFGURGRAJSENMS-CQSZACIVSA-N 1 2 453.590 0.369 20 0 JCADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1C ZINC000030927854 1067921344 /nfs/dbraw/zinc/92/13/44/1067921344.db2.gz NVRHUKVXNZKPOP-UHFFFAOYSA-N 1 2 457.560 0.949 20 0 JCADLO COCCN(C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000030963617 1069387542 /nfs/dbraw/zinc/38/75/42/1069387542.db2.gz QXBWCVQPRBJDCN-UHFFFAOYSA-N 1 2 488.589 0.585 20 0 JCADLO COc1cccc(N2CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)c1 ZINC000030964213 1069580993 /nfs/dbraw/zinc/58/09/93/1069580993.db2.gz MBVPAOXUJKMLEG-UHFFFAOYSA-N 1 2 477.587 0.955 20 0 JCADLO Cc1ccccc1[C@@H](CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)NC(N)=O ZINC000031073152 1070202656 /nfs/dbraw/zinc/20/26/56/1070202656.db2.gz JFGRNIOWBBCICS-GOSISDBHSA-N 1 2 480.529 0.663 20 0 JCADLO Cc1ccccc1[C@H](CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)NC(N)=O ZINC000031073155 1070202788 /nfs/dbraw/zinc/20/27/88/1070202788.db2.gz JFGRNIOWBBCICS-SFHVURJKSA-N 1 2 480.529 0.663 20 0 JCADLO Cc1cccc([C@@H](CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)NC(N)=O)c1 ZINC000031083153 1070204343 /nfs/dbraw/zinc/20/43/43/1070204343.db2.gz WHSYWNLXPFOXDK-GOSISDBHSA-N 1 2 480.529 0.663 20 0 JCADLO Cc1cccc([C@H](CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)NC(N)=O)c1 ZINC000031083157 1070204995 /nfs/dbraw/zinc/20/49/95/1070204995.db2.gz WHSYWNLXPFOXDK-SFHVURJKSA-N 1 2 480.529 0.663 20 0 JCADLO CC(C)C(=O)Nc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000031086054 1069388233 /nfs/dbraw/zinc/38/82/33/1069388233.db2.gz CFUKYOPNVZQPDL-UHFFFAOYSA-N 1 2 466.608 0.601 20 0 JCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)cc1 ZINC000031166296 1069390135 /nfs/dbraw/zinc/39/01/35/1069390135.db2.gz DDPIAXOMJWNUAQ-NRFANRHFSA-N 1 2 484.644 0.919 20 0 JCADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)cc1 ZINC000031166299 1069390361 /nfs/dbraw/zinc/39/03/61/1069390361.db2.gz DDPIAXOMJWNUAQ-OAQYLSRUSA-N 1 2 484.644 0.919 20 0 JCADLO Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031167047 1070211026 /nfs/dbraw/zinc/21/10/26/1070211026.db2.gz JPQGDUSWCBILQY-IBGZPJMESA-N 1 2 470.621 0.440 20 0 JCADLO Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031167053 1070211591 /nfs/dbraw/zinc/21/15/91/1070211591.db2.gz JPQGDUSWCBILQY-LJQANCHMSA-N 1 2 470.621 0.440 20 0 JCADLO COc1cc(C(=O)NNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(OC)c1OC ZINC000031167121 1070211623 /nfs/dbraw/zinc/21/16/23/1070211623.db2.gz WRERPVQMLQGTIM-FQEVSTJZSA-N 1 2 454.549 0.864 20 0 JCADLO COc1cc(C(=O)NNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc(OC)c1OC ZINC000031167125 1070211662 /nfs/dbraw/zinc/21/16/62/1070211662.db2.gz WRERPVQMLQGTIM-HXUWFJFHSA-N 1 2 454.549 0.864 20 0 JCADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 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NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498730173 1068682309 /nfs/dbraw/zinc/68/23/09/1068682309.db2.gz YLEKMURXNJJOTL-HXUWFJFHSA-N 1 2 463.542 0.997 20 0 JCADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000498730516 1068682194 /nfs/dbraw/zinc/68/21/94/1068682194.db2.gz YYCGRQRPITVBAI-UHFFFAOYSA-N 1 2 487.582 0.808 20 0 JCADLO CNC(=O)COc1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000498730559 1068682318 /nfs/dbraw/zinc/68/23/18/1068682318.db2.gz ZHIOMHYSJIHRNJ-UHFFFAOYSA-N 1 2 455.515 0.684 20 0 JCADLO O=C(CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498731078 1068681549 /nfs/dbraw/zinc/68/15/49/1068681549.db2.gz RPXWAXJTMQWZAK-UHFFFAOYSA-N 1 2 486.598 0.732 20 0 JCADLO COCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000498731902 1068682206 /nfs/dbraw/zinc/68/22/06/1068682206.db2.gz UORNITSULJFANQ-UHFFFAOYSA-N 1 2 475.571 0.475 20 0 JCADLO O=C(CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498734477 1068682284 /nfs/dbraw/zinc/68/22/84/1068682284.db2.gz AELSBNXJVCGMSN-UHFFFAOYSA-N 1 2 457.556 0.991 20 0 JCADLO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498735552 1068682152 /nfs/dbraw/zinc/68/21/52/1068682152.db2.gz DPCDSEQNVWIFMG-UHFFFAOYSA-N 1 2 481.525 0.883 20 0 JCADLO COc1ccnc(N2CCC(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)n1 ZINC000498736816 1068685004 /nfs/dbraw/zinc/68/50/04/1068685004.db2.gz HKBAZBSTVMLBKW-UHFFFAOYSA-N 1 2 453.547 0.952 20 0 JCADLO O=C(CCNS(=O)(=O)c1ccccc1F)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498738469 1068686318 /nfs/dbraw/zinc/68/63/18/1068686318.db2.gz CJWRTULBGHIKQA-UHFFFAOYSA-N 1 2 463.535 0.744 20 0 JCADLO O=C(CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498739551 1068687003 /nfs/dbraw/zinc/68/70/03/1068687003.db2.gz VHGGTSHGFNTBSY-UHFFFAOYSA-N 1 2 487.582 0.571 20 0 JCADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000498740813 1068687105 /nfs/dbraw/zinc/68/71/05/1068687105.db2.gz VPFJXKRGLDGGAG-KRWDZBQOSA-N 1 2 475.571 0.612 20 0 JCADLO CCn1c(=O)[nH]c2cc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2c1=O ZINC000498741504 1068687060 /nfs/dbraw/zinc/68/70/60/1068687060.db2.gz ZFOQTPDNZYSHDK-UHFFFAOYSA-N 1 2 450.499 0.986 20 0 JCADLO O=C(CCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498742984 1068686968 /nfs/dbraw/zinc/68/69/68/1068686968.db2.gz DBMZCBLOWPSBMQ-UHFFFAOYSA-N 1 2 450.499 0.708 20 0 JCADLO COc1cc(C(=O)NCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000498743917 1068684353 /nfs/dbraw/zinc/68/43/53/1068684353.db2.gz HGCWTTDPQUVLOQ-UHFFFAOYSA-N 1 2 485.541 0.692 20 0 JCADLO COc1c(F)cc(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1S(N)(=O)=O ZINC000498746353 1068689604 /nfs/dbraw/zinc/68/96/04/1068689604.db2.gz OYGMTUMOSVWDHD-UHFFFAOYSA-N 1 2 479.534 0.274 20 0 JCADLO COc1cc(OC)cc(C(=O)NCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000498747764 1068689621 /nfs/dbraw/zinc/68/96/21/1068689621.db2.gz UYPOYJVPGLZYAJ-UHFFFAOYSA-N 1 2 455.515 0.684 20 0 JCADLO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498747880 1068689699 /nfs/dbraw/zinc/68/96/99/1068689699.db2.gz LVEDRYKRLHYSDB-UHFFFAOYSA-N 1 2 450.499 0.742 20 0 JCADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000498748633 1068688367 /nfs/dbraw/zinc/68/83/67/1068688367.db2.gz XUYWLFPQDUXYEI-UHFFFAOYSA-N 1 2 473.555 0.418 20 0 JCADLO CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498748733 1068688302 /nfs/dbraw/zinc/68/83/02/1068688302.db2.gz ODGUGLSKESTOCW-UHFFFAOYSA-N 1 2 484.582 0.831 20 0 JCADLO CCn1c2ccc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2[nH]c(=O)c1=O ZINC000498749072 1068688378 /nfs/dbraw/zinc/68/83/78/1068688378.db2.gz ZMPCUNHVVNOFQT-UHFFFAOYSA-N 1 2 450.499 0.573 20 0 JCADLO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cnc21 ZINC000498751108 1068688253 /nfs/dbraw/zinc/68/82/53/1068688253.db2.gz YQZKGILVGWVGSI-UHFFFAOYSA-N 1 2 465.514 0.771 20 0 JCADLO O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498751558 1068689045 /nfs/dbraw/zinc/68/90/45/1068689045.db2.gz GVKZDIIVXRNYIA-UHFFFAOYSA-N 1 2 488.566 0.872 20 0 JCADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498752747 1068689214 /nfs/dbraw/zinc/68/92/14/1068689214.db2.gz CFNPOPNZJGJIGK-HNNXBMFYSA-N 1 2 451.574 0.665 20 0 JCADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498752748 1068689173 /nfs/dbraw/zinc/68/91/73/1068689173.db2.gz CFNPOPNZJGJIGK-OAHLLOKOSA-N 1 2 451.574 0.665 20 0 JCADLO O=C(CCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000498752786 1068688994 /nfs/dbraw/zinc/68/89/94/1068688994.db2.gz CNNBZDCFUJZGBF-UHFFFAOYSA-N 1 2 487.582 0.571 20 0 JCADLO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498755345 1068693198 /nfs/dbraw/zinc/69/31/98/1068693198.db2.gz YCLDYRFLKISTMR-UHFFFAOYSA-N 1 2 461.526 0.933 20 0 JCADLO CCCNC(=O)CN(CCC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498902535 1068738611 /nfs/dbraw/zinc/73/86/11/1068738611.db2.gz YXVQIRPKGKULKL-UHFFFAOYSA-N 1 2 454.597 0.481 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000498960561 1068757055 /nfs/dbraw/zinc/75/70/55/1068757055.db2.gz SHZUCGQTXIYCHH-UHFFFAOYSA-N 1 2 468.493 0.626 20 0 JCADLO O=C(C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1)N1CCCC1 ZINC000498966020 1068757139 /nfs/dbraw/zinc/75/71/39/1068757139.db2.gz HNHABANMSHBTSF-UHFFFAOYSA-N 1 2 461.538 0.758 20 0 JCADLO O=C(C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1)N1CCCC1 ZINC000498966020 1068757126 /nfs/dbraw/zinc/75/71/26/1068757126.db2.gz HNHABANMSHBTSF-UHFFFAOYSA-N 1 2 461.538 0.758 20 0 JCADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000498970165 1068759979 /nfs/dbraw/zinc/75/99/79/1068759979.db2.gz XEYWSBPOCOYXIP-UHFFFAOYSA-N 1 2 482.541 0.774 20 0 JCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000499010490 1068768331 /nfs/dbraw/zinc/76/83/31/1068768331.db2.gz PGEGVWPHYQBWJE-MOPGFXCFSA-N 1 2 465.572 0.049 20 0 JCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000499010491 1068768156 /nfs/dbraw/zinc/76/81/56/1068768156.db2.gz PGEGVWPHYQBWJE-OALUTQOASA-N 1 2 465.572 0.049 20 0 JCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000499010492 1068767973 /nfs/dbraw/zinc/76/79/73/1068767973.db2.gz PGEGVWPHYQBWJE-RBUKOAKNSA-N 1 2 465.572 0.049 20 0 JCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000499010493 1068768182 /nfs/dbraw/zinc/76/81/82/1068768182.db2.gz PGEGVWPHYQBWJE-RTBURBONSA-N 1 2 465.572 0.049 20 0 JCADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000499037635 1068787175 /nfs/dbraw/zinc/78/71/75/1068787175.db2.gz CKXOOQHOJBTOIA-UHFFFAOYSA-N 1 2 478.571 0.677 20 0 JCADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499039475 1068772356 /nfs/dbraw/zinc/77/23/56/1068772356.db2.gz AEBDWJHYHNZGKF-INIZCTEOSA-N 1 2 466.560 0.986 20 0 JCADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499043386 1068789595 /nfs/dbraw/zinc/78/95/95/1068789595.db2.gz TYVZAANGPOQVCL-UHFFFAOYSA-N 1 2 467.320 0.739 20 0 JCADLO CCNC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000499531544 1069491321 /nfs/dbraw/zinc/49/13/21/1069491321.db2.gz LMDUHFPPQOKAQZ-UHFFFAOYSA-N 1 2 474.587 0.783 20 0 JCADLO CCN(CC)C(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000499539843 1069493192 /nfs/dbraw/zinc/49/31/92/1069493192.db2.gz UOZUFCNRRFIMJA-UHFFFAOYSA-N 1 2 480.635 0.488 20 0 JCADLO CNC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000499567272 1069496302 /nfs/dbraw/zinc/49/63/02/1069496302.db2.gz YANJMZIMHMWYGD-UHFFFAOYSA-N 1 2 460.560 0.392 20 0 JCADLO CC1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000499580484 1069497791 /nfs/dbraw/zinc/49/77/91/1069497791.db2.gz BHHLVLWPWYLXIE-UHFFFAOYSA-N 1 2 479.651 0.637 20 0 JCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000499601953 1069500558 /nfs/dbraw/zinc/50/05/58/1069500558.db2.gz HIESPFIYPDAUNF-JOCHJYFZSA-N 1 2 465.554 0.959 20 0 JCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000499601953 1069500554 /nfs/dbraw/zinc/50/05/54/1069500554.db2.gz HIESPFIYPDAUNF-JOCHJYFZSA-N 1 2 465.554 0.959 20 0 JCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000499601954 1069500725 /nfs/dbraw/zinc/50/07/25/1069500725.db2.gz HIESPFIYPDAUNF-QFIPXVFZSA-N 1 2 465.554 0.959 20 0 JCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000499601954 1069500716 /nfs/dbraw/zinc/50/07/16/1069500716.db2.gz HIESPFIYPDAUNF-QFIPXVFZSA-N 1 2 465.554 0.959 20 0 JCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000499604497 1069501185 /nfs/dbraw/zinc/50/11/85/1069501185.db2.gz DPHQIBSJPOZTQL-JOCHJYFZSA-N 1 2 461.588 0.266 20 0 JCADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000499604500 1069501166 /nfs/dbraw/zinc/50/11/66/1069501166.db2.gz DPHQIBSJPOZTQL-QFIPXVFZSA-N 1 2 461.588 0.266 20 0 JCADLO CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000499608404 1069502346 /nfs/dbraw/zinc/50/23/46/1069502346.db2.gz FBCPWMQEFXYXDY-UHFFFAOYSA-N 1 2 453.613 0.247 20 0 JCADLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2)C[C@H](C)O1 ZINC000499637913 1069505555 /nfs/dbraw/zinc/50/55/55/1069505555.db2.gz SSFZOBFYENRQSY-KDURUIRLSA-N 1 2 495.650 0.015 20 0 JCADLO 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O=C(C[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1)Nc1ccccc1 ZINC000502100749 1068343711 /nfs/dbraw/zinc/34/37/11/1068343711.db2.gz PMMZEROKVNCHAE-UHFFFAOYSA-N 1 2 469.633 0.767 20 0 JCADLO CCCNC(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000502124008 1068344112 /nfs/dbraw/zinc/34/41/12/1068344112.db2.gz JWJMCUVDUYBLMU-UHFFFAOYSA-N 1 2 466.608 0.146 20 0 JCADLO O=C(NCCS(=O)(=O)N1CCSCC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000502129802 1068344078 /nfs/dbraw/zinc/34/40/78/1068344078.db2.gz QYSMFQGVMGECNV-UHFFFAOYSA-N 1 2 472.633 0.575 20 0 JCADLO CN(C)C(=O)c1cccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000502163197 1068345127 /nfs/dbraw/zinc/34/51/27/1068345127.db2.gz RVWXJMCCJJBGEY-UHFFFAOYSA-N 1 2 474.587 0.735 20 0 JCADLO O=C(NCCS(=O)(=O)N1CCSCC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000502167953 1068345614 /nfs/dbraw/zinc/34/56/14/1068345614.db2.gz MHXKTBBTVOJWEG-UHFFFAOYSA-N 1 2 472.633 0.575 20 0 JCADLO CCOC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 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O=C(CNS(=O)(=O)c1ccc(Br)s1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000505135266 1068505701 /nfs/dbraw/zinc/50/57/01/1068505701.db2.gz MRGVTEACIVYZOO-UHFFFAOYSA-N 1 2 489.421 0.517 20 0 JCADLO CCOc1ccc([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000505166705 1068506807 /nfs/dbraw/zinc/50/68/07/1068506807.db2.gz CTFGUOXNFQWVAL-KRWDZBQOSA-N 1 2 469.608 0.974 20 0 JCADLO CCOc1ccc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000505166706 1068506755 /nfs/dbraw/zinc/50/67/55/1068506755.db2.gz CTFGUOXNFQWVAL-QGZVFWFLSA-N 1 2 469.608 0.974 20 0 JCADLO Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505358179 1068510400 /nfs/dbraw/zinc/51/04/00/1068510400.db2.gz UMUREGVGNDPEJH-UHFFFAOYSA-N 1 2 489.646 0.933 20 0 JCADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000505398259 1068511634 /nfs/dbraw/zinc/51/16/34/1068511634.db2.gz XYIJHMLZOZLWEG-UHFFFAOYSA-N 1 2 468.605 0.909 20 0 JCADLO 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C[C@@H]1C[N@H+](CCNC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000726259513 1070942323 /nfs/dbraw/zinc/94/23/23/1070942323.db2.gz VTTAFILBJPNLQL-OAHLLOKOSA-N 1 2 453.565 0.415 20 0 JCADLO CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000726287899 1070945284 /nfs/dbraw/zinc/94/52/84/1070945284.db2.gz UNQIDPZPOLLLCY-UHFFFAOYSA-N 1 2 474.583 0.987 20 0 JCADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 ZINC000726288786 1070946048 /nfs/dbraw/zinc/94/60/48/1070946048.db2.gz LUCIRSDALLPWPG-UHFFFAOYSA-N 1 2 482.603 0.451 20 0 JCADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 ZINC000726288786 1070946038 /nfs/dbraw/zinc/94/60/38/1070946038.db2.gz LUCIRSDALLPWPG-UHFFFAOYSA-N 1 2 482.603 0.451 20 0 JCADLO CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000726289029 1070946096 /nfs/dbraw/zinc/94/60/96/1070946096.db2.gz RDKUTPYYFCKZBP-UHFFFAOYSA-N 1 2 480.587 0.205 20 0 JCADLO CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000726289029 1070946087 /nfs/dbraw/zinc/94/60/87/1070946087.db2.gz RDKUTPYYFCKZBP-UHFFFAOYSA-N 1 2 480.587 0.205 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 ZINC000726290379 1070946602 /nfs/dbraw/zinc/94/66/02/1070946602.db2.gz VUQDEAQJAMQJAM-UHFFFAOYSA-N 1 2 487.542 0.074 20 0 JCADLO COC(=O)N1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000726610445 1070980869 /nfs/dbraw/zinc/98/08/69/1070980869.db2.gz FWURQCZUPNNZKK-INIZCTEOSA-N 1 2 454.553 0.063 20 0 JCADLO COC(=O)N1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000726610447 1070980589 /nfs/dbraw/zinc/98/05/89/1070980589.db2.gz FWURQCZUPNNZKK-MRXNPFEDSA-N 1 2 454.553 0.063 20 0 JCADLO Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1C ZINC000726641288 1070982288 /nfs/dbraw/zinc/98/22/88/1070982288.db2.gz GDLOWUJQISWEQG-UHFFFAOYSA-N 1 2 469.589 0.346 20 0 JCADLO Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cn1C ZINC000726641637 1070983619 /nfs/dbraw/zinc/98/36/19/1070983619.db2.gz MNAKDFAHTJOBEU-UHFFFAOYSA-N 1 2 479.559 0.411 20 0 JCADLO Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1C ZINC000726642126 1070983817 /nfs/dbraw/zinc/98/38/17/1070983817.db2.gz SWZOEYWONAANRC-UHFFFAOYSA-N 1 2 469.589 0.346 20 0 JCADLO C[C@@H](C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726650763 1070987457 /nfs/dbraw/zinc/98/74/57/1070987457.db2.gz AEYVGHGGTARLNV-KRWDZBQOSA-N 1 2 472.542 0.931 20 0 JCADLO C[C@H](C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726650774 1070987551 /nfs/dbraw/zinc/98/75/51/1070987551.db2.gz AEYVGHGGTARLNV-QGZVFWFLSA-N 1 2 472.542 0.931 20 0 JCADLO CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000726663733 1070991406 /nfs/dbraw/zinc/99/14/06/1070991406.db2.gz OSGWITOLSLVYAY-IBGZPJMESA-N 1 2 463.498 0.533 20 0 JCADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000726669696 1070993244 /nfs/dbraw/zinc/99/32/44/1070993244.db2.gz LTLIYBFITRZEBG-UHFFFAOYSA-N 1 2 479.580 0.944 20 0 JCADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000726670927 1070994617 /nfs/dbraw/zinc/99/46/17/1070994617.db2.gz OITFGZCXLIGWHF-UHFFFAOYSA-N 1 2 479.580 0.944 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)CCC2CCCC2)CC1 ZINC000726673188 1070996096 /nfs/dbraw/zinc/99/60/96/1070996096.db2.gz QYQOUJFKXMMXJU-UHFFFAOYSA-N 1 2 457.535 0.642 20 0 JCADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(C2OCCO2)CC1 ZINC000726704963 1070998232 /nfs/dbraw/zinc/99/82/32/1070998232.db2.gz DCQDQEUWZYJCGS-UHFFFAOYSA-N 1 2 453.565 0.328 20 0 JCADLO O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000726823656 1071008073 /nfs/dbraw/zinc/00/80/73/1071008073.db2.gz DSWBPKLLBVKKEU-UHFFFAOYSA-N 1 2 467.522 0.873 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000726824877 1071007963 /nfs/dbraw/zinc/00/79/63/1071007963.db2.gz DTAAGLZFYAPAIM-UHFFFAOYSA-N 1 2 497.581 0.925 20 0 JCADLO CCOC(=O)N(C)C1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000726978854 1071014831 /nfs/dbraw/zinc/01/48/31/1071014831.db2.gz QHOIEZUBARWMGE-UHFFFAOYSA-N 1 2 482.607 0.796 20 0 JCADLO Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1C ZINC000727008059 1067841995 /nfs/dbraw/zinc/84/19/95/1067841995.db2.gz OWXJZHBZHCAHIT-UHFFFAOYSA-N 1 2 493.590 0.121 20 0 JCADLO Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cn1C ZINC000727008489 1067839426 /nfs/dbraw/zinc/83/94/26/1067839426.db2.gz QURWRTTXTZYLRB-UHFFFAOYSA-N 1 2 465.532 0.021 20 0 JCADLO Cn1nc(Br)c2c1ncn(CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c2=O ZINC000727070580 1069622986 /nfs/dbraw/zinc/62/29/86/1069622986.db2.gz IWUMGBCGDVXGJK-UHFFFAOYSA-N 1 2 488.346 0.919 20 0 JCADLO CCOC(=O)C1=C(C[N@@H+]2CCCN(CC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)CC2)NC(=O)N[C@@H]1C ZINC000727072583 1069630933 /nfs/dbraw/zinc/63/09/33/1069630933.db2.gz CEDVOUARDJTIQR-GASCZTMLSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(C[N@H+]2CCCN(CC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)CC2)NC(=O)N[C@@H]1C ZINC000727072583 1069630927 /nfs/dbraw/zinc/63/09/27/1069630927.db2.gz CEDVOUARDJTIQR-GASCZTMLSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(CN2CCC[N@@H+](CC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)CC2)NC(=O)N[C@@H]1C ZINC000727072583 1069630923 /nfs/dbraw/zinc/63/09/23/1069630923.db2.gz CEDVOUARDJTIQR-GASCZTMLSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(CN2CCC[N@H+](CC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)CC2)NC(=O)N[C@@H]1C ZINC000727072583 1069630919 /nfs/dbraw/zinc/63/09/19/1069630919.db2.gz CEDVOUARDJTIQR-GASCZTMLSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(CN2CCC[N@@H+](CC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)CC2)NC(=O)N[C@H]1C ZINC000727072586 1069630887 /nfs/dbraw/zinc/63/08/87/1069630887.db2.gz CEDVOUARDJTIQR-GJZGRUSLSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(CN2CCC[N@H+](CC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)CC2)NC(=O)N[C@H]1C ZINC000727072586 1069630880 /nfs/dbraw/zinc/63/08/80/1069630880.db2.gz CEDVOUARDJTIQR-GJZGRUSLSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(CN2CCC[N@@H+](CC3=C(C(=O)OCC)[C@@H](C)NC(=O)N3)CC2)NC(=O)N[C@@H]1C ZINC000727072589 1069630758 /nfs/dbraw/zinc/63/07/58/1069630758.db2.gz CEDVOUARDJTIQR-HUUCEWRRSA-N 1 2 492.577 0.031 20 0 JCADLO CCOC(=O)C1=C(CN2CCC[N@H+](CC3=C(C(=O)OCC)[C@@H](C)NC(=O)N3)CC2)NC(=O)N[C@@H]1C ZINC000727072589 1069630754 /nfs/dbraw/zinc/63/07/54/1069630754.db2.gz CEDVOUARDJTIQR-HUUCEWRRSA-N 1 2 492.577 0.031 20 0 JCADLO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[NH+](Cc3ccc(C(N)=O)cc3)CC1)c2=O ZINC000727101403 1069628189 /nfs/dbraw/zinc/62/81/89/1069628189.db2.gz NJBPOMIYIINSHU-UHFFFAOYSA-N 1 2 488.346 0.336 20 0 JCADLO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)c2=O ZINC000727103962 1069630053 /nfs/dbraw/zinc/63/00/53/1069630053.db2.gz IAPYZUCLBXTLOW-KRWDZBQOSA-N 1 2 471.381 0.217 20 0 JCADLO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)c2=O ZINC000727103965 1069630141 /nfs/dbraw/zinc/63/01/41/1069630141.db2.gz IAPYZUCLBXTLOW-QGZVFWFLSA-N 1 2 471.381 0.217 20 0 JCADLO CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727131709 1069632223 /nfs/dbraw/zinc/63/22/23/1069632223.db2.gz HZJYZIZMESJYPG-INIZCTEOSA-N 1 2 455.581 0.953 20 0 JCADLO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727132491 1069632177 /nfs/dbraw/zinc/63/21/77/1069632177.db2.gz XYLQZXMYBYSDJE-MRXNPFEDSA-N 1 2 485.632 0.960 20 0 JCADLO C[C@@H](CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)NC(=O)C1CCCC1 ZINC000727198067 1069644134 /nfs/dbraw/zinc/64/41/34/1069644134.db2.gz DWCCTMPPLACAAJ-HNNXBMFYSA-N 1 2 457.535 0.640 20 0 JCADLO C[C@H](CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)NC(=O)C1CCCC1 ZINC000727198069 1069644086 /nfs/dbraw/zinc/64/40/86/1069644086.db2.gz DWCCTMPPLACAAJ-OAHLLOKOSA-N 1 2 457.535 0.640 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(N3CCCC3)nc2)CC1 ZINC000727208400 1069644799 /nfs/dbraw/zinc/64/47/99/1069644799.db2.gz SQVGWODLQADXSC-UHFFFAOYSA-N 1 2 450.503 0.864 20 0 JCADLO COc1ccccc1Cc1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=S)o1 ZINC000727420554 1069661646 /nfs/dbraw/zinc/66/16/46/1069661646.db2.gz KWJSXNYHXWNHTA-UHFFFAOYSA-N 1 2 482.632 0.872 20 0 JCADLO CC(C)N(CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000727485525 1069664241 /nfs/dbraw/zinc/66/42/41/1069664241.db2.gz LLVVQFCHZABLIL-UHFFFAOYSA-N 1 2 461.629 0.658 20 0 JCADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)CC1 ZINC000727526313 1069665073 /nfs/dbraw/zinc/66/50/73/1069665073.db2.gz QYXZDXLYLIKECN-UHFFFAOYSA-N 1 2 450.459 0.233 20 0 JCADLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000727553518 1069671226 /nfs/dbraw/zinc/67/12/26/1069671226.db2.gz OZEPQOYYZHTNHE-IBGZPJMESA-N 1 2 480.529 0.405 20 0 JCADLO 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/nfs/dbraw/zinc/45/50/04/720455004.db2.gz QCVWGRNFUDNMGB-HZPDHXFCSA-N 1 2 456.551 0.440 20 0 JCADLO C[C@H]1C(=O)Nc2cnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2N1C ZINC001164825116 720453959 /nfs/dbraw/zinc/45/39/59/720453959.db2.gz QCVWGRNFUDNMGB-JKSUJKDBSA-N 1 2 456.551 0.440 20 0 JCADLO COC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C(=O)OC ZINC001164825235 720434475 /nfs/dbraw/zinc/43/44/75/720434475.db2.gz QRMSODHSLQMXTA-INIZCTEOSA-N 1 2 473.530 0.841 20 0 JCADLO COC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C(=O)OC ZINC001164825238 720434594 /nfs/dbraw/zinc/43/45/94/720434594.db2.gz QRMSODHSLQMXTA-MRXNPFEDSA-N 1 2 473.530 0.841 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001164825618 720433855 /nfs/dbraw/zinc/43/38/55/720433855.db2.gz ODXWDVPYARUEHC-FQEVSTJZSA-N 1 2 470.574 0.740 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001164825620 720433785 /nfs/dbraw/zinc/43/37/85/720433785.db2.gz ODXWDVPYARUEHC-HXUWFJFHSA-N 1 2 470.574 0.740 20 0 JCADLO CCOC(=O)c1nnc(SC)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826244 720442405 /nfs/dbraw/zinc/44/24/05/720442405.db2.gz VEOBZUMOMNOLKN-HNNXBMFYSA-N 1 2 477.591 0.956 20 0 JCADLO CCOC(=O)c1nnc(SC)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826246 720442334 /nfs/dbraw/zinc/44/23/34/720442334.db2.gz VEOBZUMOMNOLKN-OAHLLOKOSA-N 1 2 477.591 0.956 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(S(N)(=O)=O)cc1Cl)C2 ZINC001164827272 720446848 /nfs/dbraw/zinc/44/68/48/720446848.db2.gz ZTXYNVXNCJFLCP-AWEZNQCLSA-N 1 2 470.983 0.569 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(S(N)(=O)=O)cc1Cl)C2 ZINC001164827280 720447257 /nfs/dbraw/zinc/44/72/57/720447257.db2.gz ZTXYNVXNCJFLCP-CQSZACIVSA-N 1 2 470.983 0.569 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164828987 720427980 /nfs/dbraw/zinc/42/79/80/720427980.db2.gz YQGCRAOJCFELCC-AWEZNQCLSA-N 1 2 470.983 0.720 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164828989 720427722 /nfs/dbraw/zinc/42/77/22/720427722.db2.gz YQGCRAOJCFELCC-CQSZACIVSA-N 1 2 470.983 0.720 20 0 JCADLO COC(=O)CSc1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829141 720475019 /nfs/dbraw/zinc/47/50/19/720475019.db2.gz CPQIWHKDUZSSNF-INIZCTEOSA-N 1 2 462.576 0.928 20 0 JCADLO COC(=O)CSc1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829144 720475316 /nfs/dbraw/zinc/47/53/16/720475316.db2.gz CPQIWHKDUZSSNF-MRXNPFEDSA-N 1 2 462.576 0.928 20 0 JCADLO CCNS(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164829202 720471676 /nfs/dbraw/zinc/47/16/76/720471676.db2.gz DLNUDIGNLNVEFC-KRWDZBQOSA-N 1 2 464.592 0.566 20 0 JCADLO CCNS(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164829203 720470847 /nfs/dbraw/zinc/47/08/47/720470847.db2.gz DLNUDIGNLNVEFC-QGZVFWFLSA-N 1 2 464.592 0.566 20 0 JCADLO COC(=O)c1nc2cnccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829212 720458715 /nfs/dbraw/zinc/45/87/15/720458715.db2.gz DPPIADDPZDJKJI-INIZCTEOSA-N 1 2 467.530 0.998 20 0 JCADLO COC(=O)c1nc2cnccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829213 720459156 /nfs/dbraw/zinc/45/91/56/720459156.db2.gz DPPIADDPZDJKJI-MRXNPFEDSA-N 1 2 467.530 0.998 20 0 JCADLO CN(C)S(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164829227 720471107 /nfs/dbraw/zinc/47/11/07/720471107.db2.gz DRFRFFVCLRURLE-KRWDZBQOSA-N 1 2 464.592 0.518 20 0 JCADLO CN(C)S(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164829230 720471589 /nfs/dbraw/zinc/47/15/89/720471589.db2.gz DRFRFFVCLRURLE-QGZVFWFLSA-N 1 2 464.592 0.518 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-n3ccccc3=O)n1)C2 ZINC001164829836 720474213 /nfs/dbraw/zinc/47/42/13/720474213.db2.gz HFMHRKGDMFRLMM-GOSISDBHSA-N 1 2 451.531 0.814 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(-n3ccccc3=O)n1)C2 ZINC001164829838 720473758 /nfs/dbraw/zinc/47/37/58/720473758.db2.gz HFMHRKGDMFRLMM-SFHVURJKSA-N 1 2 451.531 0.814 20 0 JCADLO CCNS(=O)(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829985 720461184 /nfs/dbraw/zinc/46/11/84/720461184.db2.gz IMCNFVUPWLLDRT-KRWDZBQOSA-N 1 2 464.592 0.566 20 0 JCADLO CCNS(=O)(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829986 720461031 /nfs/dbraw/zinc/46/10/31/720461031.db2.gz IMCNFVUPWLLDRT-QGZVFWFLSA-N 1 2 464.592 0.566 20 0 JCADLO COC(=O)c1cc2cnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2n1C ZINC001164831142 720468011 /nfs/dbraw/zinc/46/80/11/720468011.db2.gz MVDNUFPGVOHXDK-KRWDZBQOSA-N 1 2 469.546 0.941 20 0 JCADLO COC(=O)c1cc2cnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2n1C ZINC001164831144 720468478 /nfs/dbraw/zinc/46/84/78/720468478.db2.gz MVDNUFPGVOHXDK-QGZVFWFLSA-N 1 2 469.546 0.941 20 0 JCADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831305 720469209 /nfs/dbraw/zinc/46/92/09/720469209.db2.gz OOLXPONJYTUTDH-JCYUZIAUSA-N 1 2 492.602 0.577 20 0 JCADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831306 720469586 /nfs/dbraw/zinc/46/95/86/720469586.db2.gz OOLXPONJYTUTDH-JTJFVBHCSA-N 1 2 492.602 0.577 20 0 JCADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831307 720470193 /nfs/dbraw/zinc/47/01/93/720470193.db2.gz OOLXPONJYTUTDH-RUQXJDCSSA-N 1 2 492.602 0.577 20 0 JCADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831308 720469266 /nfs/dbraw/zinc/46/92/66/720469266.db2.gz OOLXPONJYTUTDH-RZCFMFBHSA-N 1 2 492.602 0.577 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164831447 720482124 /nfs/dbraw/zinc/48/21/24/720482124.db2.gz FUEMWKKGRNJXAV-AWEZNQCLSA-N 1 2 482.994 0.646 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164831448 720483053 /nfs/dbraw/zinc/48/30/53/720483053.db2.gz FUEMWKKGRNJXAV-CQSZACIVSA-N 1 2 482.994 0.646 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CCOCC3)nn1)C2 ZINC001164831725 720475191 /nfs/dbraw/zinc/47/51/91/720475191.db2.gz OXORNHYGRAHHQL-GOSISDBHSA-N 1 2 485.589 0.572 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CCOCC3)nn1)C2 ZINC001164831726 720474772 /nfs/dbraw/zinc/47/47/72/720474772.db2.gz OXORNHYGRAHHQL-SFHVURJKSA-N 1 2 485.589 0.572 20 0 JCADLO CNS(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832263 720471227 /nfs/dbraw/zinc/47/12/27/720471227.db2.gz SBYWSBHQKCVILH-INIZCTEOSA-N 1 2 450.565 0.176 20 0 JCADLO CNS(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832264 720471036 /nfs/dbraw/zinc/47/10/36/720471036.db2.gz SBYWSBHQKCVILH-MRXNPFEDSA-N 1 2 450.565 0.176 20 0 JCADLO CNS(=O)(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832659 720462697 /nfs/dbraw/zinc/46/26/97/720462697.db2.gz VDXIDLZEYPQBEV-INIZCTEOSA-N 1 2 450.565 0.176 20 0 JCADLO CNS(=O)(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164832660 720462289 /nfs/dbraw/zinc/46/22/89/720462289.db2.gz VDXIDLZEYPQBEV-MRXNPFEDSA-N 1 2 450.565 0.176 20 0 JCADLO CC(C)NS(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164833077 720471706 /nfs/dbraw/zinc/47/17/06/720471706.db2.gz YDIGWYFTVQOOSG-GOSISDBHSA-N 1 2 478.619 0.954 20 0 JCADLO CC(C)NS(=O)(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164833078 720470745 /nfs/dbraw/zinc/47/07/45/720470745.db2.gz YDIGWYFTVQOOSG-SFHVURJKSA-N 1 2 478.619 0.954 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(S(N)(=O)=O)cc1F)C2 ZINC001164833120 720482518 /nfs/dbraw/zinc/48/25/18/720482518.db2.gz MOFMJFHMQIXTSF-AWEZNQCLSA-N 1 2 454.528 0.054 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(S(N)(=O)=O)cc1F)C2 ZINC001164833127 720482765 /nfs/dbraw/zinc/48/27/65/720482765.db2.gz MOFMJFHMQIXTSF-CQSZACIVSA-N 1 2 454.528 0.054 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1S(N)(=O)=O)C2 ZINC001164833221 720476027 /nfs/dbraw/zinc/47/60/27/720476027.db2.gz NTEXUYVQUWZVCR-AWEZNQCLSA-N 1 2 470.983 0.569 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1S(N)(=O)=O)C2 ZINC001164833222 720476340 /nfs/dbraw/zinc/47/63/40/720476340.db2.gz NTEXUYVQUWZVCR-CQSZACIVSA-N 1 2 470.983 0.569 20 0 JCADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4nc(N5CCOCC5)nc5c4CCN5)CCO3)C2)c1 ZINC001164910874 721775750 /nfs/dbraw/zinc/77/57/50/721775750.db2.gz CUBHJEHTFGQPCH-DEOSSOPVSA-N 1 2 467.574 0.784 20 0 JCADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4nc(N5CCOCC5)nc5c4CCN5)CCO3)C2)c1 ZINC001164910874 721775746 /nfs/dbraw/zinc/77/57/46/721775746.db2.gz CUBHJEHTFGQPCH-DEOSSOPVSA-N 1 2 467.574 0.784 20 0 JCADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4nc(N5CCOCC5)nc5c4CCN5)CCO3)C2)c1 ZINC001164910881 721776446 /nfs/dbraw/zinc/77/64/46/721776446.db2.gz CUBHJEHTFGQPCH-XMMPIXPASA-N 1 2 467.574 0.784 20 0 JCADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4nc(N5CCOCC5)nc5c4CCN5)CCO3)C2)c1 ZINC001164910881 721776443 /nfs/dbraw/zinc/77/64/43/721776443.db2.gz CUBHJEHTFGQPCH-XMMPIXPASA-N 1 2 467.574 0.784 20 0 JCADLO Clc1nc(N2CCOCC2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912346 721774067 /nfs/dbraw/zinc/77/40/67/721774067.db2.gz KTIRQEINERVQCP-NRFANRHFSA-N 1 2 461.954 0.864 20 0 JCADLO Clc1nc(N2CCOCC2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912346 721774062 /nfs/dbraw/zinc/77/40/62/721774062.db2.gz KTIRQEINERVQCP-NRFANRHFSA-N 1 2 461.954 0.864 20 0 JCADLO Clc1nc(N2CCOCC2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912348 721774287 /nfs/dbraw/zinc/77/42/87/721774287.db2.gz KTIRQEINERVQCP-OAQYLSRUSA-N 1 2 461.954 0.864 20 0 JCADLO Clc1nc(N2CCOCC2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912348 721774280 /nfs/dbraw/zinc/77/42/80/721774280.db2.gz KTIRQEINERVQCP-OAQYLSRUSA-N 1 2 461.954 0.864 20 0 JCADLO NS(=O)(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912653 721779288 /nfs/dbraw/zinc/77/92/88/721779288.db2.gz NYYHBMXYGLBYSD-IBGZPJMESA-N 1 2 453.952 0.885 20 0 JCADLO NS(=O)(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912653 721779285 /nfs/dbraw/zinc/77/92/85/721779285.db2.gz NYYHBMXYGLBYSD-IBGZPJMESA-N 1 2 453.952 0.885 20 0 JCADLO NS(=O)(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912654 721779339 /nfs/dbraw/zinc/77/93/39/721779339.db2.gz NYYHBMXYGLBYSD-LJQANCHMSA-N 1 2 453.952 0.885 20 0 JCADLO NS(=O)(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912654 721779335 /nfs/dbraw/zinc/77/93/35/721779335.db2.gz NYYHBMXYGLBYSD-LJQANCHMSA-N 1 2 453.952 0.885 20 0 JCADLO NS(=O)(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914340 721798539 /nfs/dbraw/zinc/79/85/39/721798539.db2.gz MACWURULLXBKLY-IBGZPJMESA-N 1 2 453.952 0.885 20 0 JCADLO 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COC(=O)[C@@H]1C[C@H]([N@H+]2CCO[C@]3(C2)COCCN(C(C)=O)C3)CCN1C(=O)c1ccccc1 ZINC001173509242 1068273197 /nfs/dbraw/zinc/27/31/97/1068273197.db2.gz MMGZZSDRUNACLD-ZFGGDYGUSA-N 1 2 459.543 0.783 20 0 JCADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(C2)COCCN(C(C)=O)C3)CCN1C(=O)c1ccccc1 ZINC001173509242 1068273191 /nfs/dbraw/zinc/27/31/91/1068273191.db2.gz MMGZZSDRUNACLD-ZFGGDYGUSA-N 1 2 459.543 0.783 20 0 JCADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CCN1C(=O)c1ccccc1 ZINC001173510369 1068276102 /nfs/dbraw/zinc/27/61/02/1068276102.db2.gz QDSJRHDOKSKANK-AHJNKEMKSA-N 1 2 471.554 0.781 20 0 JCADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CCN1C(=O)c1ccccc1 ZINC001173510369 1068276088 /nfs/dbraw/zinc/27/60/88/1068276088.db2.gz QDSJRHDOKSKANK-AHJNKEMKSA-N 1 2 471.554 0.781 20 0 JCADLO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)CCN1C(=O)c1ccccc1 ZINC001173510370 1068275954 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GJLQNTOOAIBCHL-BJWYYQGGSA-N 1 2 463.535 0.364 20 0 JCADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C[C@@H]1C(=O)OC ZINC001173573089 1068280410 /nfs/dbraw/zinc/28/04/10/1068280410.db2.gz GJLQNTOOAIBCHL-BJWYYQGGSA-N 1 2 463.535 0.364 20 0 JCADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C[C@@H]1C(=O)OC ZINC001173573092 1068280646 /nfs/dbraw/zinc/28/06/46/1068280646.db2.gz GJLQNTOOAIBCHL-OSYLJGHBSA-N 1 2 463.535 0.364 20 0 JCADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C[C@@H]1C(=O)OC ZINC001173573092 1068280634 /nfs/dbraw/zinc/28/06/34/1068280634.db2.gz GJLQNTOOAIBCHL-OSYLJGHBSA-N 1 2 463.535 0.364 20 0 JCADLO COC(=O)[C@@H]1C[C@H](N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173575003 1068281251 /nfs/dbraw/zinc/28/12/51/1068281251.db2.gz IVROJOSTBSAIPJ-AKHDSKFASA-N 1 2 464.563 0.409 20 0 JCADLO COC(=O)[C@@H]1C[C@@H](N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173575004 1068281114 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1068367640 /nfs/dbraw/zinc/36/76/40/1068367640.db2.gz WETVUCTXIXCTSN-AZUAARDMSA-N 1 2 450.499 0.794 20 0 JCADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1c2c(ncn2C)CCN1C(=O)c1ccccc1 ZINC001176759491 1068367816 /nfs/dbraw/zinc/36/78/16/1068367816.db2.gz WETVUCTXIXCTSN-ICSRJNTNSA-N 1 2 450.499 0.794 20 0 JCADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1c2c(ncn2C)CCN1C(=O)c1ccccc1 ZINC001176759493 1068367619 /nfs/dbraw/zinc/36/76/19/1068367619.db2.gz WETVUCTXIXCTSN-QUCCMNQESA-N 1 2 450.499 0.794 20 0 JCADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1c2c(ncn2C)CCN1C(=O)c1ccccc1 ZINC001176759494 1068367793 /nfs/dbraw/zinc/36/77/93/1068367793.db2.gz WETVUCTXIXCTSN-UYAOXDASSA-N 1 2 450.499 0.794 20 0 JCADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)Cn1ccnc12 ZINC001176764547 1068369378 /nfs/dbraw/zinc/36/93/78/1068369378.db2.gz CMDKDZOULFWYAS-IBGZPJMESA-N 1 2 486.577 0.422 20 0 JCADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)Cn1ccnc12 ZINC001176764549 1068369024 /nfs/dbraw/zinc/36/90/24/1068369024.db2.gz CMDKDZOULFWYAS-LJQANCHMSA-N 1 2 486.577 0.422 20 0 JCADLO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCc2n[nH]c(=O)[nH]2)Cn2ccnc23)cc1 ZINC001176765446 1068370093 /nfs/dbraw/zinc/37/00/93/1068370093.db2.gz OYSGTUSPNVWYPH-KRWDZBQOSA-N 1 2 453.503 0.922 20 0 JCADLO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)Cn2ccnc23)cc1 ZINC001176765448 1068369996 /nfs/dbraw/zinc/36/99/96/1068369996.db2.gz OYSGTUSPNVWYPH-QGZVFWFLSA-N 1 2 453.503 0.922 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176776938 1068364356 /nfs/dbraw/zinc/36/43/56/1068364356.db2.gz IMTWMRCJOBPGGY-ROUUACIJSA-N 1 2 487.561 0.279 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176776940 1068364224 /nfs/dbraw/zinc/36/42/24/1068364224.db2.gz IMTWMRCJOBPGGY-ZWKOTPCHSA-N 1 2 487.561 0.279 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176778251 1068364733 /nfs/dbraw/zinc/36/47/33/1068364733.db2.gz VKKDCPCPSVDYJF-DLBZAZTESA-N 1 2 473.534 0.268 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176778251 1068364722 /nfs/dbraw/zinc/36/47/22/1068364722.db2.gz VKKDCPCPSVDYJF-DLBZAZTESA-N 1 2 473.534 0.268 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176778257 1068364855 /nfs/dbraw/zinc/36/48/55/1068364855.db2.gz VKKDCPCPSVDYJF-IRXDYDNUSA-N 1 2 473.534 0.268 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176778257 1068364845 /nfs/dbraw/zinc/36/48/45/1068364845.db2.gz VKKDCPCPSVDYJF-IRXDYDNUSA-N 1 2 473.534 0.268 20 0 JCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCc1nc(-c3cccnc3)no1)CC2 ZINC001176779829 1068365278 /nfs/dbraw/zinc/36/52/78/1068365278.db2.gz RGWJFEHOJYJHTG-UHFFFAOYSA-N 1 2 464.530 0.770 20 0 JCADLO O=C(C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 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ZINC001176845073 1068384065 /nfs/dbraw/zinc/38/40/65/1068384065.db2.gz PDMPLCGKXQTACB-ZDUSSCGKSA-N 1 2 479.563 0.397 20 0 JCADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(C(F)(F)F)nc1 ZINC001176860715 1068381888 /nfs/dbraw/zinc/38/18/88/1068381888.db2.gz VRWFHAVHBIHIHH-GJZGRUSLSA-N 1 2 452.437 0.960 20 0 JCADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(C(F)(F)F)nc1 ZINC001176860715 1068381868 /nfs/dbraw/zinc/38/18/68/1068381868.db2.gz VRWFHAVHBIHIHH-GJZGRUSLSA-N 1 2 452.437 0.960 20 0 JCADLO COc1ccc(C[NH+]2CCN(C(=O)CN3Cc4nnc(C)n4C[C@H]3C(=O)N(C)C)CC2)cc1 ZINC001176861232 1068381626 /nfs/dbraw/zinc/38/16/26/1068381626.db2.gz VMFLPNKCYPIFAM-FQEVSTJZSA-N 1 2 455.563 0.212 20 0 JCADLO COc1ccc(C[NH+]2CCN(C(=O)CN3Cc4nnc(C)n4C[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC001176861233 1068381571 /nfs/dbraw/zinc/38/15/71/1068381571.db2.gz VMFLPNKCYPIFAM-HXUWFJFHSA-N 1 2 455.563 0.212 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)Cc1ccc(-n3cnnn3)cc1)C2 ZINC001176862612 1068382533 /nfs/dbraw/zinc/38/25/33/1068382533.db2.gz IQSTYEWTMNFPNC-IBGZPJMESA-N 1 2 466.546 0.413 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)Cc1ccc(-n3cnnn3)cc1)C2 ZINC001176862615 1068382231 /nfs/dbraw/zinc/38/22/31/1068382231.db2.gz IQSTYEWTMNFPNC-LJQANCHMSA-N 1 2 466.546 0.413 20 0 JCADLO O=C(CCn1cc[nH+]c1)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001176873321 1068382778 /nfs/dbraw/zinc/38/27/78/1068382778.db2.gz HBCXYGHARZSWPF-MBNYWOFBSA-N 1 2 498.281 0.902 20 0 JCADLO O=C(CCn1cc[nH+]c1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001176874295 1068382855 /nfs/dbraw/zinc/38/28/55/1068382855.db2.gz QICWXCDJHPGKHF-CVDCTZTESA-N 1 2 453.547 0.667 20 0 JCADLO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)CCn2cc[nH+]c2)cc1 ZINC001176883192 1068383441 /nfs/dbraw/zinc/38/34/41/1068383441.db2.gz GDKJIIUAQBXOOG-QYRPDUKASA-N 1 2 483.481 0.144 20 0 JCADLO NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)CCn1cc[nH+]c1 ZINC001176883748 1068383402 /nfs/dbraw/zinc/38/34/02/1068383402.db2.gz LESVXXVNIWYFKX-BOSXTWCSSA-N 1 2 493.634 0.256 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CCCNC(=O)c1cccnc1)C2 ZINC001176886015 1068383765 /nfs/dbraw/zinc/38/37/65/1068383765.db2.gz NATVMBLNQAJFKH-FQEVSTJZSA-N 1 2 470.574 0.800 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CCCNC(=O)c1cccnc1)C2 ZINC001176886016 1068383557 /nfs/dbraw/zinc/38/35/57/1068383557.db2.gz NATVMBLNQAJFKH-HXUWFJFHSA-N 1 2 470.574 0.800 20 0 JCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCCNC(=O)c1cccnc1)CC2 ZINC001176886282 1068383518 /nfs/dbraw/zinc/38/35/18/1068383518.db2.gz RSKKGFVOKFBPHB-UHFFFAOYSA-N 1 2 453.547 0.298 20 0 JCADLO Cc1cc(C(F)(F)F)nn1CC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001176945392 1068385434 /nfs/dbraw/zinc/38/54/34/1068385434.db2.gz YNQWGIDXTWWEJO-UHFFFAOYSA-N 1 2 453.469 0.916 20 0 JCADLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001176956981 1068385983 /nfs/dbraw/zinc/38/59/83/1068385983.db2.gz MAIKGVSIHXEQCE-YSIASYRMSA-N 1 2 498.609 0.848 20 0 JCADLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001176956984 1068386052 /nfs/dbraw/zinc/38/60/52/1068386052.db2.gz MAIKGVSIHXEQCE-YZGWKJHDSA-N 1 2 498.609 0.848 20 0 JCADLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001176960412 1068386016 /nfs/dbraw/zinc/38/60/16/1068386016.db2.gz DGBPZPZABGAXPN-IYWMVGAKSA-N 1 2 476.599 0.419 20 0 JCADLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001176960413 1068386413 /nfs/dbraw/zinc/38/64/13/1068386413.db2.gz DGBPZPZABGAXPN-MTQWCTHYSA-N 1 2 476.599 0.419 20 0 JCADLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001176960414 1068385945 /nfs/dbraw/zinc/38/59/45/1068385945.db2.gz DGBPZPZABGAXPN-UAFMIMERSA-N 1 2 476.599 0.419 20 0 JCADLO 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O=S(=O)(C[C@@H]1CCC(F)(F)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001185422200 1068978207 /nfs/dbraw/zinc/97/82/07/1068978207.db2.gz GPYRISDHBHYLMG-OAHLLOKOSA-N 1 2 452.549 0.888 20 0 JCADLO CCOc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001185422245 1068978734 /nfs/dbraw/zinc/97/87/34/1068978734.db2.gz IGPSFOACJCLWIQ-UHFFFAOYSA-N 1 2 455.562 0.306 20 0 JCADLO Cn1nc(C2CC2)cc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001185422474 1068978967 /nfs/dbraw/zinc/97/89/67/1068978967.db2.gz JMDMKYCEHXBCBN-UHFFFAOYSA-N 1 2 454.578 0.123 20 0 JCADLO O=S(=O)(CCc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001185422544 1068978997 /nfs/dbraw/zinc/97/89/97/1068978997.db2.gz NADBJESXJFMZAG-UHFFFAOYSA-N 1 2 456.565 0.835 20 0 JCADLO C[C@@]1(O)C[C@@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001185471349 1068981245 /nfs/dbraw/zinc/98/12/45/1068981245.db2.gz VSVNYXBAUZSXPR-ORGXJRBJSA-N 1 2 478.544 0.597 20 0 JCADLO COc1nc(OC)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1Br ZINC001185485131 1068982040 /nfs/dbraw/zinc/98/20/40/1068982040.db2.gz OZBAJPUGXIBXOL-KBPBESRZSA-N 1 2 495.334 0.402 20 0 JCADLO COc1nc(OC)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1Br ZINC001185485131 1068982021 /nfs/dbraw/zinc/98/20/21/1068982021.db2.gz OZBAJPUGXIBXOL-KBPBESRZSA-N 1 2 495.334 0.402 20 0 JCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCC(=O)CN1C(=O)OC(C)(C)C)CC2 ZINC001185500449 1068984422 /nfs/dbraw/zinc/98/44/22/1068984422.db2.gz FQSLUGSXEPANJN-GOSISDBHSA-N 1 2 488.589 0.661 20 0 JCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C)CC2 ZINC001185500450 1068984303 /nfs/dbraw/zinc/98/43/03/1068984303.db2.gz FQSLUGSXEPANJN-SFHVURJKSA-N 1 2 488.589 0.661 20 0 JCADLO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c(F)c1 ZINC001185550938 1068988818 /nfs/dbraw/zinc/98/88/18/1068988818.db2.gz GIOKTDWVGHIHSM-UHFFFAOYSA-N 1 2 450.558 0.420 20 0 JCADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(S(=O)(=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC001185578146 1069011068 /nfs/dbraw/zinc/01/10/68/1069011068.db2.gz APGRVFPYTQGMRA-UHFFFAOYSA-N 1 2 453.488 0.263 20 0 JCADLO CN1CC[NH+](C[C@H]2Cn3ccnc3CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001185578950 1069012978 /nfs/dbraw/zinc/01/29/78/1069012978.db2.gz QBYHXFOWWGNSHO-INIZCTEOSA-N 1 2 457.564 0.131 20 0 JCADLO CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001185578951 1069012908 /nfs/dbraw/zinc/01/29/08/1069012908.db2.gz QBYHXFOWWGNSHO-MRXNPFEDSA-N 1 2 457.564 0.131 20 0 JCADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001185579032 1069013723 /nfs/dbraw/zinc/01/37/23/1069013723.db2.gz SYIMRKHJWCEIPZ-NRFANRHFSA-N 1 2 471.543 0.554 20 0 JCADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001185579032 1069013714 /nfs/dbraw/zinc/01/37/14/1069013714.db2.gz SYIMRKHJWCEIPZ-NRFANRHFSA-N 1 2 471.543 0.554 20 0 JCADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001185579033 1069013443 /nfs/dbraw/zinc/01/34/43/1069013443.db2.gz SYIMRKHJWCEIPZ-OAQYLSRUSA-N 1 2 471.543 0.554 20 0 JCADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001185579033 1069013434 /nfs/dbraw/zinc/01/34/34/1069013434.db2.gz SYIMRKHJWCEIPZ-OAQYLSRUSA-N 1 2 471.543 0.554 20 0 JCADLO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(S(=O)(=O)c4ccc(-c5nn[nH]n5)cc4)C3)O2)CC1 ZINC001185579207 1069013363 /nfs/dbraw/zinc/01/33/63/1069013363.db2.gz VIJXMWPETRZQAD-WIYYLYMNSA-N 1 2 461.592 0.816 20 0 JCADLO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001185579618 1069014245 /nfs/dbraw/zinc/01/42/45/1069014245.db2.gz ZKELCPOQDBSIAO-UHFFFAOYSA-N 1 2 463.564 0.058 20 0 JCADLO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001185579618 1069014240 /nfs/dbraw/zinc/01/42/40/1069014240.db2.gz ZKELCPOQDBSIAO-UHFFFAOYSA-N 1 2 463.564 0.058 20 0 JCADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)CC2 ZINC001185600451 1069005197 /nfs/dbraw/zinc/00/51/97/1069005197.db2.gz CJMYMRNVRCGVPZ-NRFANRHFSA-N 1 2 478.597 0.926 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 ZINC001185600675 1069005265 /nfs/dbraw/zinc/00/52/65/1069005265.db2.gz BEOPESCALOAYEF-IBGZPJMESA-N 1 2 497.600 0.230 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 ZINC001185600676 1069004947 /nfs/dbraw/zinc/00/49/47/1069004947.db2.gz BEOPESCALOAYEF-LJQANCHMSA-N 1 2 497.600 0.230 20 0 JCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185600685 1069004990 /nfs/dbraw/zinc/00/49/90/1069004990.db2.gz BUVBOMZAPQUPOS-GAJHUEQPSA-N 1 2 459.547 0.276 20 0 JCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185600686 1069005183 /nfs/dbraw/zinc/00/51/83/1069005183.db2.gz BUVBOMZAPQUPOS-HXOBKFHXSA-N 1 2 459.547 0.276 20 0 JCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185600687 1069004899 /nfs/dbraw/zinc/00/48/99/1069004899.db2.gz BUVBOMZAPQUPOS-SBUREZEXSA-N 1 2 459.547 0.276 20 0 JCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185600688 1069005252 /nfs/dbraw/zinc/00/52/52/1069005252.db2.gz BUVBOMZAPQUPOS-UZUQRXQVSA-N 1 2 459.547 0.276 20 0 JCADLO O=C(c1cccc(N2CCCNC(=O)C2)n1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001185602370 1069007650 /nfs/dbraw/zinc/00/76/50/1069007650.db2.gz PTWDSUUMVPRISH-UHFFFAOYSA-N 1 2 462.514 0.256 20 0 JCADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001185605556 1069008678 /nfs/dbraw/zinc/00/86/78/1069008678.db2.gz ZBWOLIWGRHGZFM-UHFFFAOYSA-N 1 2 470.559 0.878 20 0 JCADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC001185611583 1069009482 /nfs/dbraw/zinc/00/94/82/1069009482.db2.gz OVLCPSHYKBJRAF-UFYCRDLUSA-N 1 2 466.542 0.147 20 0 JCADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC001185611583 1069009469 /nfs/dbraw/zinc/00/94/69/1069009469.db2.gz OVLCPSHYKBJRAF-UFYCRDLUSA-N 1 2 466.542 0.147 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)C ZINC001185670964 1069025162 /nfs/dbraw/zinc/02/51/62/1069025162.db2.gz FUOWABQKDYNOJH-ROUUACIJSA-N 1 2 450.540 0.525 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)C(C)C ZINC001185671411 1069025697 /nfs/dbraw/zinc/02/56/97/1069025697.db2.gz APRRNTJZJXOJCX-RXVVDRJESA-N 1 2 499.572 0.592 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C(C)C ZINC001185671876 1069025807 /nfs/dbraw/zinc/02/58/07/1069025807.db2.gz FLGMFGFXROXIHR-HKUYNNGSSA-N 1 2 472.550 0.627 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC)C(C)C ZINC001185674137 1069026853 /nfs/dbraw/zinc/02/68/53/1069026853.db2.gz VKSOPIACJGJOHG-GSRZOBFVSA-N 1 2 496.605 0.613 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)C(C)C ZINC001185674140 1069026758 /nfs/dbraw/zinc/02/67/58/1069026758.db2.gz VKSOPIACJGJOHG-LYXWCMDISA-N 1 2 496.605 0.613 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)C(C)C ZINC001185674142 1069026822 /nfs/dbraw/zinc/02/68/22/1069026822.db2.gz VKSOPIACJGJOHG-RAZUEPIFSA-N 1 2 496.605 0.613 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC)C(C)C ZINC001185674143 1069026648 /nfs/dbraw/zinc/02/66/48/1069026648.db2.gz VKSOPIACJGJOHG-XMODTWTHSA-N 1 2 496.605 0.613 20 0 JCADLO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC)C(C)C ZINC001185685306 1069022736 /nfs/dbraw/zinc/02/27/36/1069022736.db2.gz KVLQUXFXLKBYIZ-ULQDDVLXSA-N 1 2 451.524 0.382 20 0 JCADLO CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2cc(N3CC[NH+](CCO)CC3)ncn2)CC1 ZINC001185723075 1069028507 /nfs/dbraw/zinc/02/85/07/1069028507.db2.gz DNAQSFVRYMJDEB-UHFFFAOYSA-N 1 2 470.596 0.732 20 0 JCADLO CC(=O)NC(=Cc1cc(F)ccc1F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001185745297 1069029818 /nfs/dbraw/zinc/02/98/18/1069029818.db2.gz TVFGFYZFTZRGNH-GKYVWNMRSA-N 1 2 474.468 0.369 20 0 JCADLO CC(=O)NC(=Cc1cc(F)ccc1F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001185745297 1069029806 /nfs/dbraw/zinc/02/98/06/1069029806.db2.gz TVFGFYZFTZRGNH-GKYVWNMRSA-N 1 2 474.468 0.369 20 0 JCADLO CC(=O)NC(=Cc1cc(F)ccc1F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001185745306 1069029949 /nfs/dbraw/zinc/02/99/49/1069029949.db2.gz TVFGFYZFTZRGNH-JZCLVBFTSA-N 1 2 474.468 0.369 20 0 JCADLO CC(=O)NC(=Cc1cc(F)ccc1F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001185745306 1069029933 /nfs/dbraw/zinc/02/99/33/1069029933.db2.gz TVFGFYZFTZRGNH-JZCLVBFTSA-N 1 2 474.468 0.369 20 0 JCADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185762599 1069030403 /nfs/dbraw/zinc/03/04/03/1069030403.db2.gz FATOMZSNSYSXQK-IZBJGVDFSA-N 1 2 482.622 0.869 20 0 JCADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185762599 1069030387 /nfs/dbraw/zinc/03/03/87/1069030387.db2.gz FATOMZSNSYSXQK-IZBJGVDFSA-N 1 2 482.622 0.869 20 0 JCADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185762601 1069030718 /nfs/dbraw/zinc/03/07/18/1069030718.db2.gz FATOMZSNSYSXQK-KVPLUYHFSA-N 1 2 482.622 0.869 20 0 JCADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185762601 1069030708 /nfs/dbraw/zinc/03/07/08/1069030708.db2.gz FATOMZSNSYSXQK-KVPLUYHFSA-N 1 2 482.622 0.869 20 0 JCADLO CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001185764025 1069031570 /nfs/dbraw/zinc/03/15/70/1069031570.db2.gz PBKCTKGTTCHHLZ-ZAWLATJESA-N 1 2 479.578 0.475 20 0 JCADLO CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001185764025 1069031561 /nfs/dbraw/zinc/03/15/61/1069031561.db2.gz PBKCTKGTTCHHLZ-ZAWLATJESA-N 1 2 479.578 0.475 20 0 JCADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185764742 1069032271 /nfs/dbraw/zinc/03/22/71/1069032271.db2.gz CJUUPEJOICFNEC-QXCFHYIPSA-N 1 2 496.605 0.347 20 0 JCADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185764742 1069032263 /nfs/dbraw/zinc/03/22/63/1069032263.db2.gz CJUUPEJOICFNEC-QXCFHYIPSA-N 1 2 496.605 0.347 20 0 JCADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185764743 1069032213 /nfs/dbraw/zinc/03/22/13/1069032213.db2.gz CJUUPEJOICFNEC-XGXHKWSGSA-N 1 2 496.605 0.347 20 0 JCADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C ZINC001185764743 1069032204 /nfs/dbraw/zinc/03/22/04/1069032204.db2.gz CJUUPEJOICFNEC-XGXHKWSGSA-N 1 2 496.605 0.347 20 0 JCADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC2CCCC2)C(C)(C)C)C1 ZINC001185765254 1069034251 /nfs/dbraw/zinc/03/42/51/1069034251.db2.gz ULSQVGWBKUGQNZ-OQIJWPOYSA-N 1 2 468.595 0.479 20 0 JCADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC2CCCC2)C(C)(C)C)C1 ZINC001185765254 1069034236 /nfs/dbraw/zinc/03/42/36/1069034236.db2.gz ULSQVGWBKUGQNZ-OQIJWPOYSA-N 1 2 468.595 0.479 20 0 JCADLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC2CCCC2)C(C)(C)C)C1 ZINC001185765255 1069034077 /nfs/dbraw/zinc/03/40/77/1069034077.db2.gz ULSQVGWBKUGQNZ-XGXHKWSGSA-N 1 2 468.595 0.479 20 0 JCADLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)OC2CCCC2)C(C)(C)C)C1 ZINC001185765255 1069034061 /nfs/dbraw/zinc/03/40/61/1069034061.db2.gz ULSQVGWBKUGQNZ-XGXHKWSGSA-N 1 2 468.595 0.479 20 0 JCADLO O=C(CNC(=O)OCC1=Cc2ccccc2S1(=O)=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001185809037 1069035798 /nfs/dbraw/zinc/03/57/98/1069035798.db2.gz JHHLCBHXGCHCIQ-UHFFFAOYSA-N 1 2 475.527 0.708 20 0 JCADLO O=C(CNC(=O)OCC1=Cc2ccccc2S1(=O)=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001185810481 1069036502 /nfs/dbraw/zinc/03/65/02/1069036502.db2.gz LOTWGVDIVFESBM-UHFFFAOYSA-N 1 2 497.537 0.810 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185820529 1069046277 /nfs/dbraw/zinc/04/62/77/1069046277.db2.gz DJALIIKJWJEYAO-INIZCTEOSA-N 1 2 462.484 0.555 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185820529 1069046260 /nfs/dbraw/zinc/04/62/60/1069046260.db2.gz DJALIIKJWJEYAO-INIZCTEOSA-N 1 2 462.484 0.555 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185820920 1069046336 /nfs/dbraw/zinc/04/63/36/1069046336.db2.gz HNOZETVTRVZZJB-KRWDZBQOSA-N 1 2 476.511 0.565 20 0 JCADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185822766 1069046977 /nfs/dbraw/zinc/04/69/77/1069046977.db2.gz YUCBYJRHRZPBIA-INIZCTEOSA-N 1 2 462.484 0.175 20 0 JCADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)OCC1=Cc2ccccc2S1(=O)=O ZINC001185822767 1069046827 /nfs/dbraw/zinc/04/68/27/1069046827.db2.gz YUCBYJRHRZPBIA-MRXNPFEDSA-N 1 2 462.484 0.175 20 0 JCADLO CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001185826128 1069037268 /nfs/dbraw/zinc/03/72/68/1069037268.db2.gz GONQDOPREDEHEH-MSOLQXFVSA-N 1 2 451.524 0.952 20 0 JCADLO CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001185826129 1069037246 /nfs/dbraw/zinc/03/72/46/1069037246.db2.gz GONQDOPREDEHEH-QZTJIDSGSA-N 1 2 451.524 0.952 20 0 JCADLO CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001185826131 1069037272 /nfs/dbraw/zinc/03/72/72/1069037272.db2.gz GONQDOPREDEHEH-ROUUACIJSA-N 1 2 451.524 0.952 20 0 JCADLO CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001185826132 1069037195 /nfs/dbraw/zinc/03/71/95/1069037195.db2.gz GONQDOPREDEHEH-ZWKOTPCHSA-N 1 2 451.524 0.952 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC(C)=O ZINC001185848347 1069048820 /nfs/dbraw/zinc/04/88/20/1069048820.db2.gz TUIJFYVZLBUBGA-IKGGRYGDSA-N 1 2 452.508 0.809 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC(C)=O ZINC001185848349 1069048476 /nfs/dbraw/zinc/04/84/76/1069048476.db2.gz TUIJFYVZLBUBGA-IXDOHACOSA-N 1 2 452.508 0.809 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC(C)=O ZINC001185848350 1069048616 /nfs/dbraw/zinc/04/86/16/1069048616.db2.gz TUIJFYVZLBUBGA-ULQDDVLXSA-N 1 2 452.508 0.809 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC(C)=O ZINC001185848351 1069048580 /nfs/dbraw/zinc/04/85/80/1069048580.db2.gz TUIJFYVZLBUBGA-YESZJQIVSA-N 1 2 452.508 0.809 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001185867920 1069051536 /nfs/dbraw/zinc/05/15/36/1069051536.db2.gz SRDFZDDLNLCXDE-AAEUAGOBSA-N 1 2 468.308 0.987 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001185867921 1069051520 /nfs/dbraw/zinc/05/15/20/1069051520.db2.gz SRDFZDDLNLCXDE-WCQYABFASA-N 1 2 468.308 0.987 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001185868189 1069051561 /nfs/dbraw/zinc/05/15/61/1069051561.db2.gz ZKEYQKWIRGOFCG-HYVNUMGLSA-N 1 2 453.565 0.491 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001185868189 1069051558 /nfs/dbraw/zinc/05/15/58/1069051558.db2.gz ZKEYQKWIRGOFCG-HYVNUMGLSA-N 1 2 453.565 0.491 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001185869560 1069052351 /nfs/dbraw/zinc/05/23/51/1069052351.db2.gz HEAOKKXBSIPZCM-SFHVURJKSA-N 1 2 468.514 0.973 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001185880462 1069058446 /nfs/dbraw/zinc/05/84/46/1069058446.db2.gz UFHZWISLODSXPG-IRXDYDNUSA-N 1 2 498.496 0.481 20 0 JCADLO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001185880462 1069058441 /nfs/dbraw/zinc/05/84/41/1069058441.db2.gz UFHZWISLODSXPG-IRXDYDNUSA-N 1 2 498.496 0.481 20 0 JCADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C ZINC001185890747 1069054026 /nfs/dbraw/zinc/05/40/26/1069054026.db2.gz ZHSKGLMDHIZJLZ-HOTGVXAUSA-N 1 2 453.540 0.676 20 0 JCADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C ZINC001185890748 1069054051 /nfs/dbraw/zinc/05/40/51/1069054051.db2.gz ZHSKGLMDHIZJLZ-JKSUJKDBSA-N 1 2 453.540 0.676 20 0 JCADLO Nc1nc2c(ncn2CC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c(Cl)n1 ZINC001185897409 1069055758 /nfs/dbraw/zinc/05/57/58/1069055758.db2.gz LKCHPLSYXRXYQO-UHFFFAOYSA-N 1 2 454.882 0.296 20 0 JCADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185897715 1069055777 /nfs/dbraw/zinc/05/57/77/1069055777.db2.gz OEACRXYNZTYNFW-BLVKFPJESA-N 1 2 451.915 0.317 20 0 JCADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185897716 1069055801 /nfs/dbraw/zinc/05/58/01/1069055801.db2.gz OEACRXYNZTYNFW-BUXKBTBVSA-N 1 2 451.915 0.317 20 0 JCADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185897717 1069055765 /nfs/dbraw/zinc/05/57/65/1069055765.db2.gz OEACRXYNZTYNFW-CWTRNNRKSA-N 1 2 451.915 0.317 20 0 JCADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185897718 1069055753 /nfs/dbraw/zinc/05/57/53/1069055753.db2.gz OEACRXYNZTYNFW-HXPMCKFVSA-N 1 2 451.915 0.317 20 0 JCADLO Cc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1N1CCOCC1 ZINC001185917354 1069062642 /nfs/dbraw/zinc/06/26/42/1069062642.db2.gz KDHNDVUSMIEOHR-ICSRJNTNSA-N 1 2 454.531 0.372 20 0 JCADLO Cc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccc1N1CCOCC1 ZINC001185917354 1069062639 /nfs/dbraw/zinc/06/26/39/1069062639.db2.gz KDHNDVUSMIEOHR-ICSRJNTNSA-N 1 2 454.531 0.372 20 0 JCADLO CC(=O)NC[C@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)c1ccccc1 ZINC001185948819 1069061921 /nfs/dbraw/zinc/06/19/21/1069061921.db2.gz QAYWCVHQQLMWSS-FQEVSTJZSA-N 1 2 452.559 0.612 20 0 JCADLO CC(=O)NC[C@@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)c1ccccc1 ZINC001185948820 1069061834 /nfs/dbraw/zinc/06/18/34/1069061834.db2.gz QAYWCVHQQLMWSS-HXUWFJFHSA-N 1 2 452.559 0.612 20 0 JCADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)c1ccc3n[nH]cc3c1)C2 ZINC001185969726 1069064466 /nfs/dbraw/zinc/06/44/66/1069064466.db2.gz BENLHHZZIUYSEK-KRWDZBQOSA-N 1 2 460.560 0.933 20 0 JCADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)c1ccc3n[nH]cc3c1)C2 ZINC001185969727 1069064462 /nfs/dbraw/zinc/06/44/62/1069064462.db2.gz BENLHHZZIUYSEK-QGZVFWFLSA-N 1 2 460.560 0.933 20 0 JCADLO CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H](O)C1 ZINC001186036330 1069065869 /nfs/dbraw/zinc/06/58/69/1069065869.db2.gz VVDUWHKHSSHIKU-ILXRZTDVSA-N 1 2 484.985 0.344 20 0 JCADLO CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H](O)C1 ZINC001186036330 1069065862 /nfs/dbraw/zinc/06/58/62/1069065862.db2.gz VVDUWHKHSSHIKU-ILXRZTDVSA-N 1 2 484.985 0.344 20 0 JCADLO CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)C[N@H+]2CC[C@@H](O)C2)[C@@H](O)C1 ZINC001186036331 1069065890 /nfs/dbraw/zinc/06/58/90/1069065890.db2.gz VVDUWHKHSSHIKU-KFWWJZLASA-N 1 2 484.985 0.344 20 0 JCADLO CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)C[N@@H+]2CC[C@@H](O)C2)[C@@H](O)C1 ZINC001186036331 1069065884 /nfs/dbraw/zinc/06/58/84/1069065884.db2.gz VVDUWHKHSSHIKU-KFWWJZLASA-N 1 2 484.985 0.344 20 0 JCADLO CC(C)(C)OC(=O)N1CC[C@H](CN=c2c(Cl)c(N)ncn2C(=O)C[N@H+]2CC[C@H](O)C2)[C@H](O)C1 ZINC001186036332 1069066000 /nfs/dbraw/zinc/06/60/00/1069066000.db2.gz 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1069110015 /nfs/dbraw/zinc/11/00/15/1069110015.db2.gz AEKCLWVNSCELAL-HJOGWXRNSA-N 1 2 482.581 0.614 20 0 JCADLO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001186586541 1069110010 /nfs/dbraw/zinc/11/00/10/1069110010.db2.gz AEKCLWVNSCELAL-HJOGWXRNSA-N 1 2 482.581 0.614 20 0 JCADLO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001186586542 1069109920 /nfs/dbraw/zinc/10/99/20/1069109920.db2.gz AEKCLWVNSCELAL-SGNDLWITSA-N 1 2 482.581 0.614 20 0 JCADLO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001186586542 1069109912 /nfs/dbraw/zinc/10/99/12/1069109912.db2.gz AEKCLWVNSCELAL-SGNDLWITSA-N 1 2 482.581 0.614 20 0 JCADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC001186587553 1069111274 /nfs/dbraw/zinc/11/12/74/1069111274.db2.gz NYLVUTLLIJKBNF-GJZGRUSLSA-N 1 2 451.405 0.972 20 0 JCADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC001186587553 1069111264 /nfs/dbraw/zinc/11/12/64/1069111264.db2.gz NYLVUTLLIJKBNF-GJZGRUSLSA-N 1 2 451.405 0.972 20 0 JCADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)CC2 ZINC001186593599 1069127221 /nfs/dbraw/zinc/12/72/21/1069127221.db2.gz BOLRIJVIQIBXBI-FQEVSTJZSA-N 1 2 482.585 0.317 20 0 JCADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)CC2 ZINC001186593599 1069127211 /nfs/dbraw/zinc/12/72/11/1069127211.db2.gz BOLRIJVIQIBXBI-FQEVSTJZSA-N 1 2 482.585 0.317 20 0 JCADLO COC(=O)c1sc2c(c1NC(=O)CNC(=O)[C@H](CO)NC(C)=O)CC[N@H+](Cc1ccccc1)C2 ZINC001186595095 1069128038 /nfs/dbraw/zinc/12/80/38/1069128038.db2.gz QEAYAYLEAGWLPI-KRWDZBQOSA-N 1 2 488.566 0.645 20 0 JCADLO COC(=O)c1sc2c(c1NC(=O)CNC(=O)[C@H](CO)NC(C)=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001186595095 1069128033 /nfs/dbraw/zinc/12/80/33/1069128033.db2.gz QEAYAYLEAGWLPI-KRWDZBQOSA-N 1 2 488.566 0.645 20 0 JCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC001186601750 1069129907 /nfs/dbraw/zinc/12/99/07/1069129907.db2.gz SWOKDUQAVUCUNW-UHFFFAOYSA-N 1 2 450.483 0.810 20 0 JCADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC001186601908 1069129733 /nfs/dbraw/zinc/12/97/33/1069129733.db2.gz WLBZDSAYHKCFSX-UHFFFAOYSA-N 1 2 457.496 0.811 20 0 JCADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001186603319 1069130260 /nfs/dbraw/zinc/13/02/60/1069130260.db2.gz VGKRTFRHRHNPEJ-NRFANRHFSA-N 1 2 451.527 0.547 20 0 JCADLO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C(C)C ZINC001186610654 1069113881 /nfs/dbraw/zinc/11/38/81/1069113881.db2.gz CHRNPHKEMPUKQV-LPHOPBHVSA-N 1 2 476.607 0.264 20 0 JCADLO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)C(C)C ZINC001186610675 1069113835 /nfs/dbraw/zinc/11/38/35/1069113835.db2.gz DMYFRSKKLLPSNV-LPHOPBHVSA-N 1 2 462.576 0.813 20 0 JCADLO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1)C(C)C ZINC001186610818 1069114009 /nfs/dbraw/zinc/11/40/09/1069114009.db2.gz GBADMDXDXZYGGT-PXNSSMCTSA-N 1 2 481.667 0.859 20 0 JCADLO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1)C(C)C ZINC001186610818 1069114002 /nfs/dbraw/zinc/11/40/02/1069114002.db2.gz GBADMDXDXZYGGT-PXNSSMCTSA-N 1 2 481.667 0.859 20 0 JCADLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)c12 ZINC001186611363 1069115478 /nfs/dbraw/zinc/11/54/78/1069115478.db2.gz CIVYVOFDLHLNRV-JSGCOSHPSA-N 1 2 450.521 0.692 20 0 JCADLO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)C ZINC001186613538 1069117349 /nfs/dbraw/zinc/11/73/49/1069117349.db2.gz WPQALHFXHWCLSX-ROUUACIJSA-N 1 2 454.597 0.162 20 0 JCADLO COc1cc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC2)cc[nH+]1 ZINC001186615420 1069117822 /nfs/dbraw/zinc/11/78/22/1069117822.db2.gz GFOWYTYWSFQZAI-HKUYNNGSSA-N 1 2 451.593 0.747 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C ZINC001186620245 1069119824 /nfs/dbraw/zinc/11/98/24/1069119824.db2.gz KNMLEDMZWWXMMF-ULQDDVLXSA-N 1 2 455.581 0.019 20 0 JCADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001186625014 1069120164 /nfs/dbraw/zinc/12/01/64/1069120164.db2.gz COTQGZUEYJBKOB-SCNLOKJLSA-N 1 2 457.575 0.378 20 0 JCADLO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CCC(=O)NC3C[NH+](C)C3)ccc12 ZINC001186625662 1069122478 /nfs/dbraw/zinc/12/24/78/1069122478.db2.gz XCZYRGZWEIZOHA-IBGZPJMESA-N 1 2 497.552 0.358 20 0 JCADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186626418 1069123032 /nfs/dbraw/zinc/12/30/32/1069123032.db2.gz CLBXNOWMTYYZIY-IHRRRGAJSA-N 1 2 473.534 0.311 20 0 JCADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001186626908 1069123093 /nfs/dbraw/zinc/12/30/93/1069123093.db2.gz IHJGTCZBZTVTQG-BZSNNMDCSA-N 1 2 491.589 0.007 20 0 JCADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001186626908 1069123087 /nfs/dbraw/zinc/12/30/87/1069123087.db2.gz IHJGTCZBZTVTQG-BZSNNMDCSA-N 1 2 491.589 0.007 20 0 JCADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001186636828 1069148560 /nfs/dbraw/zinc/14/85/60/1069148560.db2.gz WIOIFHPYVHYDNV-IHRRRGAJSA-N 1 2 486.664 0.088 20 0 JCADLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186639032 1069150608 /nfs/dbraw/zinc/15/06/08/1069150608.db2.gz NTGRBVQNNNFSLC-JYJNAYRXSA-N 1 2 472.546 0.090 20 0 JCADLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)c12 ZINC001186642444 1069155243 /nfs/dbraw/zinc/15/52/43/1069155243.db2.gz PGQOQOABRKJGJP-CMPLNLGQSA-N 1 2 491.505 0.347 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCC(n2cc[nH+]c2)CC1)C(N)=O ZINC001186645707 1069157954 /nfs/dbraw/zinc/15/79/54/1069157954.db2.gz DAJADSILXGQWJY-GOEBONIOSA-N 1 2 450.540 0.710 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(N)=O ZINC001186646234 1069159789 /nfs/dbraw/zinc/15/97/89/1069159789.db2.gz MXJRDMPTGZVNNV-DZGCQCFKSA-N 1 2 450.540 0.779 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(N)=O ZINC001186646234 1069159783 /nfs/dbraw/zinc/15/97/83/1069159783.db2.gz MXJRDMPTGZVNNV-DZGCQCFKSA-N 1 2 450.540 0.779 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1)C(N)=O ZINC001186646647 1069160341 /nfs/dbraw/zinc/16/03/41/1069160341.db2.gz RGIUIUUMGGHVDE-ARFHVFGLSA-N 1 2 489.564 0.982 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1)C(N)=O ZINC001186646648 1069160425 /nfs/dbraw/zinc/16/04/25/1069160425.db2.gz RGIUIUUMGGHVDE-XHSDSOJGSA-N 1 2 489.564 0.982 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(N)=O ZINC001186646720 1069160678 /nfs/dbraw/zinc/16/06/78/1069160678.db2.gz UVQLMGPCPKEEAD-RRFJBIMHSA-N 1 2 450.540 0.779 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(N)=O ZINC001186646721 1069160834 /nfs/dbraw/zinc/16/08/34/1069160834.db2.gz UVQLMGPCPKEEAD-SOUVJXGZSA-N 1 2 450.540 0.779 20 0 JCADLO COc1cc(N2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)CC2)cc[nH+]1 ZINC001186646855 1069161525 /nfs/dbraw/zinc/16/15/25/1069161525.db2.gz WLCQGWRYIAKQGW-DOTOQJQBSA-N 1 2 492.577 0.402 20 0 JCADLO Cc1[nH+]c[nH]c1CSCCNC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186649019 1069162993 /nfs/dbraw/zinc/16/29/93/1069162993.db2.gz JSZIJNAUOAVKFU-UONOGXRCSA-N 1 2 470.596 0.731 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCc1c[nH+]cn1C1CCC1)C(N)=O ZINC001186651009 1069166473 /nfs/dbraw/zinc/16/64/73/1069166473.db2.gz MRKXNZFSXAKJOB-XJKSGUPXSA-N 1 2 450.540 0.888 20 0 JCADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(N)=O ZINC001186651739 1069167831 /nfs/dbraw/zinc/16/78/31/1069167831.db2.gz YECGMCZHBCZJCH-ARFHVFGLSA-N 1 2 462.551 0.440 20 0 JCADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186654658 1069168920 /nfs/dbraw/zinc/16/89/20/1069168920.db2.gz XOZLJGPFFGGOIG-VXKWHMMOSA-N 1 2 493.568 0.641 20 0 JCADLO O=C(NCC1([NH+]2CCCC2)COC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186659929 1069172455 /nfs/dbraw/zinc/17/24/55/1069172455.db2.gz PJHGGYHPHPCYDL-PMACEKPBSA-N 1 2 453.543 0.455 20 0 JCADLO COCCn1c[nH+]cc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186660397 1069173032 /nfs/dbraw/zinc/17/30/32/1069173032.db2.gz VZBLAWLQZBNTOY-PMACEKPBSA-N 1 2 452.515 0.633 20 0 JCADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001186662505 1069174447 /nfs/dbraw/zinc/17/44/47/1069174447.db2.gz NPXLGDFYSZNDIR-PMACEKPBSA-N 1 2 452.515 0.929 20 0 JCADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186662740 1069174458 /nfs/dbraw/zinc/17/44/58/1069174458.db2.gz OCHDTZMVMOIXPC-ACRUOGEOSA-N 1 2 494.552 0.498 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186662811 1069174379 /nfs/dbraw/zinc/17/43/79/1069174379.db2.gz QXEPLTSTDXKPEJ-UFYCRDLUSA-N 1 2 480.525 0.488 20 0 JCADLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186662811 1069174374 /nfs/dbraw/zinc/17/43/74/1069174374.db2.gz QXEPLTSTDXKPEJ-UFYCRDLUSA-N 1 2 480.525 0.488 20 0 JCADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001186663063 1069175503 /nfs/dbraw/zinc/17/55/03/1069175503.db2.gz SNCWOAFUCRNDRW-ZMFQYLAGSA-N 1 2 495.624 0.962 20 0 JCADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001186663109 1069175570 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