smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3ccccc3Cl)n2)o1 ZINC000057773499 195359729 /nfs/dbraw/zinc/35/97/29/195359729.db2.gz CMSWLPNHBBEDRR-VXKWHMMOSA-N 1 1 474.992 5.320 40 0 JKABMO O=C(c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000059401705 195398749 /nfs/dbraw/zinc/39/87/49/195398749.db2.gz RMVBKMJTVMXLHS-UHFFFAOYSA-N 1 1 467.657 5.099 40 0 JKABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020457238 523079830 /nfs/dbraw/zinc/07/98/30/523079830.db2.gz OZBGQBCBIGSAHA-RUZDIDTESA-N 1 1 465.062 6.145 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000022510411 524091669 /nfs/dbraw/zinc/09/16/69/524091669.db2.gz OGYUDQCRGAMJGB-KRWDZBQOSA-N 1 1 451.463 5.889 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)cc2)C1 ZINC000044786601 524091691 /nfs/dbraw/zinc/09/16/91/524091691.db2.gz BXJICBULCJTMQR-KRWDZBQOSA-N 1 1 451.463 5.889 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)C1 ZINC000020489577 524231810 /nfs/dbraw/zinc/23/18/10/524231810.db2.gz VXEXBRDNLVNRKP-RUZDIDTESA-N 1 1 467.657 5.466 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc2)C1 ZINC000020483202 524233362 /nfs/dbraw/zinc/23/33/62/524233362.db2.gz XZSVLJLCXPCEJM-LJQANCHMSA-N 1 1 498.048 5.625 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000022510406 524234157 /nfs/dbraw/zinc/23/41/57/524234157.db2.gz OGYUDQCRGAMJGB-QGZVFWFLSA-N 1 1 451.463 5.889 40 0 JKABMO Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022534760 525272520 /nfs/dbraw/zinc/27/25/20/525272520.db2.gz FOQANZIPPLUDJS-FQEVSTJZSA-N 1 1 477.630 5.280 40 0 JKABMO O=C(CSCc1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020493495 527022888 /nfs/dbraw/zinc/02/28/88/527022888.db2.gz KOZOTQRCIRLKEY-UHFFFAOYSA-N 1 1 485.480 6.160 40 0 JKABMO CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298755 553941101 /nfs/dbraw/zinc/94/11/01/553941101.db2.gz BDORTELVHYQBFO-SANMLTNESA-N 1 1 461.675 6.023 40 0 JKABMO CCc1cc([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298780 553941121 /nfs/dbraw/zinc/94/11/21/553941121.db2.gz QPMFTKSYUZOAND-HSZRJFAPSA-N 1 1 454.039 5.553 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000001325956 553942236 /nfs/dbraw/zinc/94/22/36/553942236.db2.gz PAWWRYAYPOOXLI-JOCHJYFZSA-N 1 1 469.054 5.173 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(C)cc1C ZINC000001332258 553947276 /nfs/dbraw/zinc/94/72/76/553947276.db2.gz NIXAVWULUJHARG-DEOSSOPVSA-N 1 1 476.690 5.445 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1 ZINC000001332248 553947339 /nfs/dbraw/zinc/94/73/39/553947339.db2.gz XTQODDXUJZLQJK-XMMPIXPASA-N 1 1 462.663 5.137 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001371368 553961696 /nfs/dbraw/zinc/96/16/96/553961696.db2.gz WCDMOCYWYYZVAN-HXUWFJFHSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001371374 553961721 /nfs/dbraw/zinc/96/17/21/553961721.db2.gz ZYDQYZNMBJKIJX-QFIPXVFZSA-N 1 1 467.013 5.317 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000001374083 553962800 /nfs/dbraw/zinc/96/28/00/553962800.db2.gz CDMJNKOPMZALGE-VWLOTQADSA-N 1 1 474.609 5.004 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375025 553963069 /nfs/dbraw/zinc/96/30/69/553963069.db2.gz ZCXIWIKBIYXYAG-VWLOTQADSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375025 553963070 /nfs/dbraw/zinc/96/30/70/553963070.db2.gz ZCXIWIKBIYXYAG-VWLOTQADSA-N 1 1 472.637 5.082 40 0 JKABMO C[N@H+]1CCC[C@@H]1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc21 ZINC000001555744 553978039 /nfs/dbraw/zinc/97/80/39/553978039.db2.gz NXVAKNZKQLCDTC-OAHLLOKOSA-N 1 1 450.801 6.230 40 0 JKABMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002131033 554060328 /nfs/dbraw/zinc/06/03/28/554060328.db2.gz IQWDZXKZGAIZNS-GHENGAGESA-N 1 1 483.737 6.578 40 0 JKABMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002226158 554103513 /nfs/dbraw/zinc/10/35/13/554103513.db2.gz MDVLMXTZTAIPGX-FYSMJZIKSA-N 1 1 490.442 5.336 40 0 JKABMO CC[N@H+]1CCC[C@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3ccc(Cl)cc32)C1 ZINC000005106014 554486882 /nfs/dbraw/zinc/48/68/82/554486882.db2.gz PQFAFWJBAOARNU-INIZCTEOSA-N 1 1 450.801 6.230 40 0 JKABMO CC[N@H+]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccc(Cl)cc32)C1 ZINC000005105957 554486913 /nfs/dbraw/zinc/48/69/13/554486913.db2.gz CLNJAJQEVNAMSW-HNNXBMFYSA-N 1 1 450.801 6.230 40 0 JKABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cc5ccccc5s3)c4=O)C2)c2ccccc21 ZINC000005396231 554489618 /nfs/dbraw/zinc/48/96/18/554489618.db2.gz QHHIMBUXCDWULT-PZJWPPBQSA-N 1 1 465.622 5.841 40 0 biogenic,in-vitro JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149447 554511775 /nfs/dbraw/zinc/51/17/75/554511775.db2.gz MIUSXAAFCRWCNP-QHCPKHFHSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149447 554511777 /nfs/dbraw/zinc/51/17/77/554511777.db2.gz MIUSXAAFCRWCNP-QHCPKHFHSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149318 554511785 /nfs/dbraw/zinc/51/17/85/554511785.db2.gz NVXQFGVFWZOOHJ-HSZRJFAPSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149318 554511788 /nfs/dbraw/zinc/51/17/88/554511788.db2.gz NVXQFGVFWZOOHJ-HSZRJFAPSA-N 1 1 462.642 5.104 40 0 JKABMO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282900 554526054 /nfs/dbraw/zinc/52/60/54/554526054.db2.gz VLLWHDSWXPHAMZ-RUZDIDTESA-N 1 1 490.652 5.164 40 0 JKABMO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282900 554526056 /nfs/dbraw/zinc/52/60/56/554526056.db2.gz VLLWHDSWXPHAMZ-RUZDIDTESA-N 1 1 490.652 5.164 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300956 554529799 /nfs/dbraw/zinc/52/97/99/554529799.db2.gz FOPRYLGCFXGOLF-RUZDIDTESA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300956 554529804 /nfs/dbraw/zinc/52/98/04/554529804.db2.gz FOPRYLGCFXGOLF-RUZDIDTESA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300868 554529828 /nfs/dbraw/zinc/52/98/28/554529828.db2.gz IFRPWHZPLLJHKP-MHZLTWQESA-N 1 1 496.659 5.315 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300868 554529834 /nfs/dbraw/zinc/52/98/34/554529834.db2.gz IFRPWHZPLLJHKP-MHZLTWQESA-N 1 1 496.659 5.315 40 0 JKABMO Cc1cc(C)c2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301765 554530173 /nfs/dbraw/zinc/53/01/73/554530173.db2.gz NUSOMBXSFBPSQH-HSZRJFAPSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1cc(C)c2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301765 554530179 /nfs/dbraw/zinc/53/01/79/554530179.db2.gz NUSOMBXSFBPSQH-HSZRJFAPSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006409357 554534601 /nfs/dbraw/zinc/53/46/01/554534601.db2.gz MNYVSLBFCYWYFP-AREMUKBSSA-N 1 1 482.632 5.007 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006409357 554534606 /nfs/dbraw/zinc/53/46/06/554534606.db2.gz MNYVSLBFCYWYFP-AREMUKBSSA-N 1 1 482.632 5.007 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442438 554536769 /nfs/dbraw/zinc/53/67/69/554536769.db2.gz ITUBPHYVARTYKN-RUZDIDTESA-N 1 1 474.653 5.382 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442438 554536771 /nfs/dbraw/zinc/53/67/71/554536771.db2.gz ITUBPHYVARTYKN-RUZDIDTESA-N 1 1 474.653 5.382 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2Cl)CC1 ZINC000008902293 554796379 /nfs/dbraw/zinc/79/63/79/554796379.db2.gz CWSZELWBRUVOLU-UHFFFAOYSA-N 1 1 478.807 6.301 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063641 554881287 /nfs/dbraw/zinc/88/12/87/554881287.db2.gz LHPUOWWRMXMUNN-UHFFFAOYSA-N 1 1 450.941 5.561 40 0 JKABMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000009063648 554881311 /nfs/dbraw/zinc/88/13/11/554881311.db2.gz VJOLUJOGWNSHDQ-UHFFFAOYSA-N 1 1 450.985 5.920 40 0 JKABMO O=C(NCCSCc1c(F)cccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063689 554881624 /nfs/dbraw/zinc/88/16/24/554881624.db2.gz QWLOWQCAZPNAGO-UHFFFAOYSA-N 1 1 473.416 5.533 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063715 554881629 /nfs/dbraw/zinc/88/16/29/554881629.db2.gz KCYGGXWNVBCXOF-UHFFFAOYSA-N 1 1 473.375 6.776 40 0 JKABMO O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063693 554881675 /nfs/dbraw/zinc/88/16/75/554881675.db2.gz NUEGFOLXMPMMLC-UHFFFAOYSA-N 1 1 472.004 5.392 40 0 JKABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000013361730 555387342 /nfs/dbraw/zinc/38/73/42/555387342.db2.gz GFEFZOCTULCHSB-CBQGHPETSA-N 1 1 456.417 5.785 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494555 555404980 /nfs/dbraw/zinc/40/49/80/555404980.db2.gz CBWZBIPLKFXBSO-VWLOTQADSA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494555 555404982 /nfs/dbraw/zinc/40/49/82/555404982.db2.gz CBWZBIPLKFXBSO-VWLOTQADSA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495825 555409479 /nfs/dbraw/zinc/40/94/79/555409479.db2.gz WTAREYFJUCLRGN-NDEPHWFRSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495825 555409482 /nfs/dbraw/zinc/40/94/82/555409482.db2.gz WTAREYFJUCLRGN-NDEPHWFRSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495839 555409492 /nfs/dbraw/zinc/40/94/92/555409492.db2.gz KJDGCEJIUOIAKJ-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495839 555409493 /nfs/dbraw/zinc/40/94/93/555409493.db2.gz KJDGCEJIUOIAKJ-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495823 555409739 /nfs/dbraw/zinc/40/97/39/555409739.db2.gz XLOFBTULMWJVSA-MHZLTWQESA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495823 555409741 /nfs/dbraw/zinc/40/97/41/555409741.db2.gz XLOFBTULMWJVSA-MHZLTWQESA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495906 555410015 /nfs/dbraw/zinc/41/00/15/555410015.db2.gz VQYRZONXLIRGIT-HHHXNRCGSA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495906 555410019 /nfs/dbraw/zinc/41/00/19/555410019.db2.gz VQYRZONXLIRGIT-HHHXNRCGSA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495907 555410049 /nfs/dbraw/zinc/41/00/49/555410049.db2.gz VQYRZONXLIRGIT-MHZLTWQESA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495907 555410053 /nfs/dbraw/zinc/41/00/53/555410053.db2.gz VQYRZONXLIRGIT-MHZLTWQESA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495874 555410070 /nfs/dbraw/zinc/41/00/70/555410070.db2.gz GCENOUYASGAZRW-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495874 555410072 /nfs/dbraw/zinc/41/00/72/555410072.db2.gz GCENOUYASGAZRW-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495889 555410093 /nfs/dbraw/zinc/41/00/93/555410093.db2.gz GGAFQLPXWNDASZ-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495889 555410096 /nfs/dbraw/zinc/41/00/96/555410096.db2.gz GGAFQLPXWNDASZ-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495920 555410157 /nfs/dbraw/zinc/41/01/57/555410157.db2.gz QVINCDDXZIOUJN-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495920 555410158 /nfs/dbraw/zinc/41/01/58/555410158.db2.gz QVINCDDXZIOUJN-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498527 555421499 /nfs/dbraw/zinc/42/14/99/555421499.db2.gz OUJUMELNPLSWRN-VWLOTQADSA-N 1 1 462.642 5.470 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498512 555421600 /nfs/dbraw/zinc/42/16/00/555421600.db2.gz XAEKGHGULIUWNT-RUZDIDTESA-N 1 1 462.642 5.470 40 0 JKABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013498636 555423080 /nfs/dbraw/zinc/42/30/80/555423080.db2.gz KTTJIBFMVZNPEM-RUZDIDTESA-N 1 1 478.641 5.170 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499005 555427112 /nfs/dbraw/zinc/42/71/12/555427112.db2.gz FVIVFHJYOHHRBG-QHCPKHFHSA-N 1 1 450.631 5.028 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499096 555428030 /nfs/dbraw/zinc/42/80/30/555428030.db2.gz RWAXRGZUYFNZSC-AREMUKBSSA-N 1 1 488.636 5.305 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499170 555428898 /nfs/dbraw/zinc/42/88/98/555428898.db2.gz QJUNVPWACYPJEU-AREMUKBSSA-N 1 1 486.664 5.328 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499170 555428899 /nfs/dbraw/zinc/42/88/99/555428899.db2.gz QJUNVPWACYPJEU-AREMUKBSSA-N 1 1 486.664 5.328 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499283 555429961 /nfs/dbraw/zinc/42/99/61/555429961.db2.gz MBZKZYQSIUGTKQ-XMMPIXPASA-N 1 1 464.658 5.644 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499313 555430375 /nfs/dbraw/zinc/43/03/75/555430375.db2.gz KTQNLGCAUMKZFE-HHHXNRCGSA-N 1 1 484.648 5.547 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499350 555430932 /nfs/dbraw/zinc/43/09/32/555430932.db2.gz UBTHKSGSTJWGMU-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499350 555430934 /nfs/dbraw/zinc/43/09/34/555430934.db2.gz UBTHKSGSTJWGMU-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499457 555431668 /nfs/dbraw/zinc/43/16/68/555431668.db2.gz WZSYYAUHYGIOOG-XMMPIXPASA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499456 555431794 /nfs/dbraw/zinc/43/17/94/555431794.db2.gz UBBJZDUMSGDTGH-VWLOTQADSA-N 1 1 478.685 5.953 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499580 555432977 /nfs/dbraw/zinc/43/29/77/555432977.db2.gz QTFSLPJJGMZTIX-SANMLTNESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013499662 555433889 /nfs/dbraw/zinc/43/38/89/555433889.db2.gz NDEPJAXMHFDXOP-VWLOTQADSA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013499640 555434070 /nfs/dbraw/zinc/43/40/70/555434070.db2.gz DKIMAOSSPUGSFN-VWLOTQADSA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500061 555435942 /nfs/dbraw/zinc/43/59/42/555435942.db2.gz BNYBTGKBEBJULR-HSZRJFAPSA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500064 555436023 /nfs/dbraw/zinc/43/60/23/555436023.db2.gz IWCMBSNSPGEBIC-DEOSSOPVSA-N 1 1 462.642 5.533 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500103 555436413 /nfs/dbraw/zinc/43/64/13/555436413.db2.gz WFCGHANAMXXHHL-RUZDIDTESA-N 1 1 488.611 5.296 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500078 555436465 /nfs/dbraw/zinc/43/64/65/555436465.db2.gz SMCKRYOEVNADJA-DEOSSOPVSA-N 1 1 478.685 5.953 40 0 JKABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500076 555436485 /nfs/dbraw/zinc/43/64/85/555436485.db2.gz QZFZWNILDMXKEF-MHZLTWQESA-N 1 1 498.675 5.660 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500081 555436536 /nfs/dbraw/zinc/43/65/36/555436536.db2.gz BUBCZMHZCPTFLO-AREMUKBSSA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500102 555436545 /nfs/dbraw/zinc/43/65/45/555436545.db2.gz HDGCRARFALZVGM-VWLOTQADSA-N 1 1 470.621 5.157 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500156 555437265 /nfs/dbraw/zinc/43/72/65/555437265.db2.gz NLJLVBGFQNECTJ-VWLOTQADSA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500201 555437640 /nfs/dbraw/zinc/43/76/40/555437640.db2.gz HJYHFZXACLNYIU-HSZRJFAPSA-N 1 1 492.624 5.035 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCCC3)cc2c1 ZINC000013500285 555438587 /nfs/dbraw/zinc/43/85/87/555438587.db2.gz VACXHENVIODUJB-DEOSSOPVSA-N 1 1 480.657 5.200 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500506 555441171 /nfs/dbraw/zinc/44/11/71/555441171.db2.gz YSKIVUMMXRGSCW-AREMUKBSSA-N 1 1 486.664 5.410 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500506 555441175 /nfs/dbraw/zinc/44/11/75/555441175.db2.gz YSKIVUMMXRGSCW-AREMUKBSSA-N 1 1 486.664 5.410 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500591 555441675 /nfs/dbraw/zinc/44/16/75/555441675.db2.gz FEYGIOYZAGUQAK-MHZLTWQESA-N 1 1 484.648 5.322 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500589 555441876 /nfs/dbraw/zinc/44/18/76/555441876.db2.gz XVCGLINRVZSSLO-DEOSSOPVSA-N 1 1 464.658 5.418 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500625 555442106 /nfs/dbraw/zinc/44/21/06/555442106.db2.gz QSYDFCOSGYKCGR-QHCPKHFHSA-N 1 1 450.631 5.110 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500641 555442120 /nfs/dbraw/zinc/44/21/20/555442120.db2.gz PHIBWJWLRNKNJL-MHZLTWQESA-N 1 1 484.648 5.208 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500754 555443433 /nfs/dbraw/zinc/44/34/33/555443433.db2.gz ARIQMKXNNKXGJX-RUZDIDTESA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500754 555443436 /nfs/dbraw/zinc/44/34/36/555443436.db2.gz ARIQMKXNNKXGJX-RUZDIDTESA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500753 555443477 /nfs/dbraw/zinc/44/34/77/555443477.db2.gz KKCNXPIXTUKWNN-DEOSSOPVSA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500753 555443479 /nfs/dbraw/zinc/44/34/79/555443479.db2.gz KKCNXPIXTUKWNN-DEOSSOPVSA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500976 555445762 /nfs/dbraw/zinc/44/57/62/555445762.db2.gz DQUXBSIBLYWJKW-RUZDIDTESA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500976 555445766 /nfs/dbraw/zinc/44/57/66/555445766.db2.gz DQUXBSIBLYWJKW-RUZDIDTESA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500987 555446044 /nfs/dbraw/zinc/44/60/44/555446044.db2.gz SMJJYNXEQNCOHR-SANMLTNESA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500987 555446047 /nfs/dbraw/zinc/44/60/47/555446047.db2.gz SMJJYNXEQNCOHR-SANMLTNESA-N 1 1 486.664 5.554 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501093 555447341 /nfs/dbraw/zinc/44/73/41/555447341.db2.gz VRKSPUYSCDTPLK-DEOSSOPVSA-N 1 1 474.609 5.059 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501071 555447345 /nfs/dbraw/zinc/44/73/45/555447345.db2.gz YSSWZYKJFBYHIL-VWLOTQADSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501071 555447347 /nfs/dbraw/zinc/44/73/47/555447347.db2.gz YSSWZYKJFBYHIL-VWLOTQADSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501122 555447792 /nfs/dbraw/zinc/44/77/92/555447792.db2.gz FTGGCISFBUTVQQ-XMMPIXPASA-N 1 1 462.642 5.614 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501165 555448064 /nfs/dbraw/zinc/44/80/64/555448064.db2.gz BXFSMEWQPZDQFU-SANMLTNESA-N 1 1 488.611 5.296 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501210 555448293 /nfs/dbraw/zinc/44/82/93/555448293.db2.gz CGUZTHHYTDSERG-HSZRJFAPSA-N 1 1 492.624 5.035 40 0 JKABMO Cc1cccc2cc(C[N@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501243 555448696 /nfs/dbraw/zinc/44/86/96/555448696.db2.gz GEEUATCBDQBNPC-UHFFFAOYSA-N 1 1 496.659 5.800 40 0 JKABMO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501243 555448697 /nfs/dbraw/zinc/44/86/97/555448697.db2.gz GEEUATCBDQBNPC-UHFFFAOYSA-N 1 1 496.659 5.800 40 0 JKABMO CCOc1ccc([C@@H]2CN(Cc3ccccc3)CC[C@@H]2[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013564361 555499317 /nfs/dbraw/zinc/49/93/17/555499317.db2.gz RTSMZPMHQTZKTM-SVBPBHIXSA-N 1 1 484.562 6.132 40 0 JKABMO CCOc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013564361 555499319 /nfs/dbraw/zinc/49/93/19/555499319.db2.gz RTSMZPMHQTZKTM-SVBPBHIXSA-N 1 1 484.562 6.132 40 0 JKABMO CCOc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013564361 555499321 /nfs/dbraw/zinc/49/93/21/555499321.db2.gz RTSMZPMHQTZKTM-SVBPBHIXSA-N 1 1 484.562 6.132 40 0 JKABMO Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[NH+]5CCCCCC5)n4)ccc32)c1 ZINC000013564983 555500579 /nfs/dbraw/zinc/50/05/79/555500579.db2.gz OPWJOGMXLWLYMT-UHFFFAOYSA-N 1 1 474.630 5.136 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564976 555500700 /nfs/dbraw/zinc/50/07/00/555500700.db2.gz DSRHPDRYAXFWBL-UHFFFAOYSA-N 1 1 488.657 5.444 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000013565805 555502822 /nfs/dbraw/zinc/50/28/22/555502822.db2.gz ZCYZCYQYBIKIFS-UHFFFAOYSA-N 1 1 480.678 5.402 40 0 JKABMO Cc1sc(NC(=O)C[N@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000013565803 555502903 /nfs/dbraw/zinc/50/29/03/555502903.db2.gz DWVOTTQIHFIFPB-UHFFFAOYSA-N 1 1 494.705 5.791 40 0 JKABMO C[N@@H+](CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)C1CCCCC1 ZINC000013565802 555502921 /nfs/dbraw/zinc/50/29/21/555502921.db2.gz UVNNNSQKJWVLCC-UHFFFAOYSA-N 1 1 480.678 5.483 40 0 JKABMO Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000013616287 555536254 /nfs/dbraw/zinc/53/62/54/555536254.db2.gz OMDOPFWCNBJSMI-DHIUTWEWSA-N 1 1 481.770 6.451 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000020106148 555639638 /nfs/dbraw/zinc/63/96/38/555639638.db2.gz JJRXHLQWYOEOCO-KRWDZBQOSA-N 1 1 451.463 5.889 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2)C1 ZINC000020112221 555649637 /nfs/dbraw/zinc/64/96/37/555649637.db2.gz FCDNAPDEHMPKRW-QFIPXVFZSA-N 1 1 455.602 5.143 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000020241873 555737598 /nfs/dbraw/zinc/73/75/98/555737598.db2.gz QVEHUGPVYAFOJC-UHFFFAOYSA-N 1 1 493.607 6.062 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3Br)cc2)CC1 ZINC000020241884 555737780 /nfs/dbraw/zinc/73/77/80/555737780.db2.gz DPPPZDSYGSSGBV-UHFFFAOYSA-N 1 1 480.406 5.032 40 0 JKABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c(Cl)c1 ZINC000014277105 555785153 /nfs/dbraw/zinc/78/51/53/555785153.db2.gz YQKNUPAVABHEKW-UHFFFAOYSA-N 1 1 497.039 5.237 40 0 JKABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1Cl ZINC000014277111 555785167 /nfs/dbraw/zinc/78/51/67/555785167.db2.gz KPBGUVSLBOKOGP-UHFFFAOYSA-N 1 1 497.039 5.237 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000014291038 555791846 /nfs/dbraw/zinc/79/18/46/555791846.db2.gz WNWCZRVZRFPCLU-UHFFFAOYSA-N 1 1 482.027 6.582 40 0 JKABMO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1Cl ZINC000014291044 555791910 /nfs/dbraw/zinc/79/19/10/555791910.db2.gz JFMROAKAWUNREJ-UHFFFAOYSA-N 1 1 484.427 5.967 40 0 JKABMO Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014291050 555791918 /nfs/dbraw/zinc/79/19/18/555791918.db2.gz STRXLKBEJDAIPI-UHFFFAOYSA-N 1 1 484.427 5.642 40 0 JKABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1Cc1nccc2cc(OC)c(OC)cc21 ZINC000015150982 555880841 /nfs/dbraw/zinc/88/08/41/555880841.db2.gz MBYXEBXZARTUSS-QLWBXOBMSA-N 1 1 476.617 5.457 40 0 biogenic,in-vitro JKABMO Cc1cc2c(cc1Br)C(=O)[C@](C[N@@H+]1CCC[C@H](C)C1)(Sc1ccccc1)CO2 ZINC000015229083 555888445 /nfs/dbraw/zinc/88/84/45/555888445.db2.gz BJMSWBIHQDIOAG-QMHKHESXSA-N 1 1 460.437 5.596 40 0 JKABMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000023292183 556038343 /nfs/dbraw/zinc/03/83/43/556038343.db2.gz QAWJMVRCMNMDJT-QHCPKHFHSA-N 1 1 454.039 5.607 40 0 JKABMO C[C@H]1C[N@@H+](CCCCOC(=O)Nc2ccc(Cl)cc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000023477109 556074676 /nfs/dbraw/zinc/07/46/76/556074676.db2.gz QNNZRKNZDUMJLT-QHCPKHFHSA-N 1 1 492.063 6.464 40 0 JKABMO C[C@H]1CN(CCCCOC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000023477109 556074678 /nfs/dbraw/zinc/07/46/78/556074678.db2.gz QNNZRKNZDUMJLT-QHCPKHFHSA-N 1 1 492.063 6.464 40 0 JKABMO C[C@H]1CN(CCCCOC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000023477109 556074681 /nfs/dbraw/zinc/07/46/81/556074681.db2.gz QNNZRKNZDUMJLT-QHCPKHFHSA-N 1 1 492.063 6.464 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCC[N@H+]3CC)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012708900 556104118 /nfs/dbraw/zinc/10/41/18/556104118.db2.gz FMXYUIXAENODJD-FQEVSTJZSA-N 1 1 483.012 5.099 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCC[N@H+]3CC)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012708929 556104144 /nfs/dbraw/zinc/10/41/44/556104144.db2.gz ZAZKKDHVSGBQCP-QFIPXVFZSA-N 1 1 483.012 5.099 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCC[N@H+]3CC)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012708905 556104172 /nfs/dbraw/zinc/10/41/72/556104172.db2.gz FMXYUIXAENODJD-HXUWFJFHSA-N 1 1 483.012 5.099 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016000217 556104605 /nfs/dbraw/zinc/10/46/05/556104605.db2.gz FVNNIZBJYDGJKY-DOIPELPJSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016000217 556104607 /nfs/dbraw/zinc/10/46/07/556104607.db2.gz FVNNIZBJYDGJKY-DOIPELPJSA-N 1 1 469.368 5.124 40 0 JKABMO C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012876561 556122108 /nfs/dbraw/zinc/12/21/08/556122108.db2.gz RKDCAMBKGKRXFM-GOSISDBHSA-N 1 1 471.651 6.694 40 0 JKABMO Cc1ccc(S[C@]2(C[N@@H+]3CCC[C@@H](C)C3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310870 556134262 /nfs/dbraw/zinc/13/42/62/556134262.db2.gz OKVDLFGJKAENGO-MZNJEOGPSA-N 1 1 474.464 5.904 40 0 JKABMO Clc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000016477841 556140051 /nfs/dbraw/zinc/14/00/51/556140051.db2.gz OVJVDTTXDNOGCZ-RUZDIDTESA-N 1 1 475.061 6.135 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2Cl)CC1 ZINC000016681535 556150841 /nfs/dbraw/zinc/15/08/41/556150841.db2.gz WSSZGQYCQQGLID-UHFFFAOYSA-N 1 1 478.807 6.301 40 0 JKABMO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768349 556158456 /nfs/dbraw/zinc/15/84/56/556158456.db2.gz DQLBFOFBSKYWLF-UHFFFAOYSA-N 1 1 486.541 7.521 40 0 JKABMO CN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768344 556158460 /nfs/dbraw/zinc/15/84/60/556158460.db2.gz ONWVXZCBCFBLMI-UHFFFAOYSA-N 1 1 458.487 6.743 40 0 JKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(CCO)Cc2ccccc2)cc1Cl ZINC000016768311 556158532 /nfs/dbraw/zinc/15/85/32/556158532.db2.gz YRMNJMYPATYEJT-UHFFFAOYSA-N 1 1 468.988 6.048 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000013063665 556260699 /nfs/dbraw/zinc/26/06/99/556260699.db2.gz ACSHGXNXWCWNLU-VWLOTQADSA-N 1 1 462.642 5.478 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000013063665 556260701 /nfs/dbraw/zinc/26/07/01/556260701.db2.gz ACSHGXNXWCWNLU-VWLOTQADSA-N 1 1 462.642 5.478 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000013063694 556260813 /nfs/dbraw/zinc/26/08/13/556260813.db2.gz DMNMZNGVMOIVSS-SANMLTNESA-N 1 1 470.621 5.021 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000013063694 556260816 /nfs/dbraw/zinc/26/08/16/556260816.db2.gz DMNMZNGVMOIVSS-SANMLTNESA-N 1 1 470.621 5.021 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000013063663 556260839 /nfs/dbraw/zinc/26/08/39/556260839.db2.gz HYVTVCFYYJFWRV-SANMLTNESA-N 1 1 476.669 5.868 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063941 556261159 /nfs/dbraw/zinc/26/11/59/556261159.db2.gz GNRDNNGCLWBTJR-AREMUKBSSA-N 1 1 488.611 5.296 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063801 556261196 /nfs/dbraw/zinc/26/11/96/556261196.db2.gz XACPBDNVFLNUOG-VWLOTQADSA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063801 556261200 /nfs/dbraw/zinc/26/12/00/556261200.db2.gz XACPBDNVFLNUOG-VWLOTQADSA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063872 556261227 /nfs/dbraw/zinc/26/12/27/556261227.db2.gz QJBDVWYZOSMPAY-SANMLTNESA-N 1 1 470.621 5.157 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064267 556261882 /nfs/dbraw/zinc/26/18/82/556261882.db2.gz FJYRZPNMYSIZMX-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064648 556262393 /nfs/dbraw/zinc/26/23/93/556262393.db2.gz SRENEUMAFPSUGO-AREMUKBSSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064648 556262396 /nfs/dbraw/zinc/26/23/96/556262396.db2.gz SRENEUMAFPSUGO-AREMUKBSSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064732 556262752 /nfs/dbraw/zinc/26/27/52/556262752.db2.gz TZZAYUZWOQGQRH-HHHXNRCGSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064732 556262756 /nfs/dbraw/zinc/26/27/56/556262756.db2.gz TZZAYUZWOQGQRH-HHHXNRCGSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064849 556262900 /nfs/dbraw/zinc/26/29/00/556262900.db2.gz ZFJWQPXTSHODQF-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064849 556262902 /nfs/dbraw/zinc/26/29/02/556262902.db2.gz ZFJWQPXTSHODQF-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065053 556263259 /nfs/dbraw/zinc/26/32/59/556263259.db2.gz OOTLNOFTGHGYMU-DEOSSOPVSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065053 556263260 /nfs/dbraw/zinc/26/32/60/556263260.db2.gz OOTLNOFTGHGYMU-DEOSSOPVSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064950 556263267 /nfs/dbraw/zinc/26/32/67/556263267.db2.gz KUUGSWMBRKWKNL-AREMUKBSSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064950 556263270 /nfs/dbraw/zinc/26/32/70/556263270.db2.gz KUUGSWMBRKWKNL-AREMUKBSSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064951 556263414 /nfs/dbraw/zinc/26/34/14/556263414.db2.gz KUUGSWMBRKWKNL-SANMLTNESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064951 556263416 /nfs/dbraw/zinc/26/34/16/556263416.db2.gz KUUGSWMBRKWKNL-SANMLTNESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065069 556263632 /nfs/dbraw/zinc/26/36/32/556263632.db2.gz OGWPLANFLBSNBT-VWLOTQADSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065069 556263635 /nfs/dbraw/zinc/26/36/35/556263635.db2.gz OGWPLANFLBSNBT-VWLOTQADSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065146 556263858 /nfs/dbraw/zinc/26/38/58/556263858.db2.gz UQMJLWGDKIFMAT-AREMUKBSSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065146 556263862 /nfs/dbraw/zinc/26/38/62/556263862.db2.gz UQMJLWGDKIFMAT-AREMUKBSSA-N 1 1 484.648 5.270 40 0 JKABMO CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCC(C)CC3)no2)cc1 ZINC000028296157 556330642 /nfs/dbraw/zinc/33/06/42/556330642.db2.gz PPBOCDNPBUZFRM-QHCPKHFHSA-N 1 1 451.567 5.172 40 0 JKABMO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)cc1C ZINC000030758413 556374250 /nfs/dbraw/zinc/37/42/50/556374250.db2.gz PYNAKHMSGKNSBJ-HXUWFJFHSA-N 1 1 491.657 5.588 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944170 556389159 /nfs/dbraw/zinc/38/91/59/556389159.db2.gz BLOGMKXNBNISKZ-JOCHJYFZSA-N 1 1 453.413 6.111 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944170 556389163 /nfs/dbraw/zinc/38/91/63/556389163.db2.gz BLOGMKXNBNISKZ-JOCHJYFZSA-N 1 1 453.413 6.111 40 0 JKABMO COCC(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@H]1C(C)C ZINC000003831123 562929489 /nfs/dbraw/zinc/92/94/89/562929489.db2.gz HBNPJJILLOYFJU-WDYNHAJCSA-N 1 1 495.639 5.271 40 0 JKABMO c1ccc(CN2CCC[N@@H+](Cc3ccccc3)C2c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000059488025 569605334 /nfs/dbraw/zinc/60/53/34/569605334.db2.gz LPCWIGHFHOMOEW-UHFFFAOYSA-N 1 1 457.621 7.242 40 0 JKABMO CC(C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000059557283 569606761 /nfs/dbraw/zinc/60/67/61/569606761.db2.gz IBFNPPNMSFQZAG-UHFFFAOYSA-N 1 1 464.009 5.702 40 0 JKABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc(Cl)c1 ZINC000059558981 569606809 /nfs/dbraw/zinc/60/68/09/569606809.db2.gz UPBAKWIXNCWEOF-UHFFFAOYSA-N 1 1 499.467 5.442 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc2ccccc2c1 ZINC000059557267 569606812 /nfs/dbraw/zinc/60/68/12/569606812.db2.gz MDTXGNHBJGRNJC-UHFFFAOYSA-N 1 1 455.989 6.068 40 0 JKABMO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059557269 569606820 /nfs/dbraw/zinc/60/68/20/569606820.db2.gz VSWKMHYPKXVRBH-VGOFMYFVSA-N 1 1 466.412 5.968 40 0 JKABMO Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059558985 569606824 /nfs/dbraw/zinc/60/68/24/569606824.db2.gz HWDAJLXVUMDRCE-UHFFFAOYSA-N 1 1 479.049 5.097 40 0 JKABMO O=C(COc1cccc2ccccc21)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059559221 569606874 /nfs/dbraw/zinc/60/68/74/569606874.db2.gz CXHURWDCKHSXLN-UHFFFAOYSA-N 1 1 486.015 5.833 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1Br ZINC000059559205 569606952 /nfs/dbraw/zinc/60/69/52/569606952.db2.gz KASRUIXQFFRLBV-UHFFFAOYSA-N 1 1 484.825 5.677 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1cccc2ccccc21 ZINC000033642838 569629429 /nfs/dbraw/zinc/62/94/29/569629429.db2.gz LVVDLTOFCBSDCU-UHFFFAOYSA-N 1 1 496.676 6.311 40 0 JKABMO Fc1cccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Cl)c1 ZINC000033743833 569633311 /nfs/dbraw/zinc/63/33/11/569633311.db2.gz CBYHCFQEGIWKDM-UHFFFAOYSA-N 1 1 454.998 5.551 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc(C)cc1 ZINC000034838243 569666584 /nfs/dbraw/zinc/66/65/84/569666584.db2.gz CSBLVZYTUBZSKN-UHFFFAOYSA-N 1 1 460.643 5.466 40 0 JKABMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035031509 569673845 /nfs/dbraw/zinc/67/38/45/569673845.db2.gz MYBALPAZTSJIAM-DAUHHZGYSA-N 1 1 464.694 5.232 40 0 JKABMO COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1 ZINC000036628169 569778979 /nfs/dbraw/zinc/77/89/79/569778979.db2.gz ZINVQNPFTOAUJS-UHFFFAOYSA-N 1 1 489.579 5.059 40 0 JKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000036628249 569778983 /nfs/dbraw/zinc/77/89/83/569778983.db2.gz JJQJQASZRVRPNQ-SAPNQHFASA-N 1 1 499.618 5.758 40 0 JKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036628185 569779063 /nfs/dbraw/zinc/77/90/63/569779063.db2.gz JYPATCSFWPCDFA-UHFFFAOYSA-N 1 1 491.570 5.497 40 0 JKABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000036628399 569779086 /nfs/dbraw/zinc/77/90/86/569779086.db2.gz RDQDDPLZGHFNLW-UHFFFAOYSA-N 1 1 459.981 5.190 40 0 JKABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000036628519 569779165 /nfs/dbraw/zinc/77/91/65/569779165.db2.gz CGGXFAXDNGBASZ-UHFFFAOYSA-N 1 1 495.608 5.120 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834829 569808732 /nfs/dbraw/zinc/80/87/32/569808732.db2.gz LNRXORDJTXLRJD-ZDUSSCGKSA-N 1 1 489.184 5.449 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834829 569808733 /nfs/dbraw/zinc/80/87/33/569808733.db2.gz LNRXORDJTXLRJD-ZDUSSCGKSA-N 1 1 489.184 5.449 40 0 JKABMO O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039745069 569811249 /nfs/dbraw/zinc/81/12/49/569811249.db2.gz TXGZXDWSMGSNBS-UHFFFAOYSA-N 1 1 479.983 5.260 40 0 JKABMO COC(=O)c1c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)sc2c1CCCC2 ZINC000039766245 569811732 /nfs/dbraw/zinc/81/17/32/569811732.db2.gz OEANEUAJIPHRSC-UHFFFAOYSA-N 1 1 464.990 5.057 40 0 JKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1Cl ZINC000107595622 569856636 /nfs/dbraw/zinc/85/66/36/569856636.db2.gz RUEGYTZPIGFWJQ-UHFFFAOYSA-N 1 1 467.034 5.421 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1F ZINC000108149223 569858833 /nfs/dbraw/zinc/85/88/33/569858833.db2.gz CILBYZFNBKIGNN-UHFFFAOYSA-N 1 1 464.606 5.297 40 0 JKABMO CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[N@@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918229 569863345 /nfs/dbraw/zinc/86/33/45/569863345.db2.gz LLKWFOGYGSHBRH-IJONKTPBSA-N 1 1 497.764 6.680 40 0 JKABMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](CC(CN(C)C)C[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923248 569863693 /nfs/dbraw/zinc/86/36/93/569863693.db2.gz PICLLOBAUVAXDN-AUBLJOOZSA-N 1 1 460.747 5.707 40 0 JKABMO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2)cc1 ZINC000216294020 569878215 /nfs/dbraw/zinc/87/82/15/569878215.db2.gz GWUQPOQAJUHJCM-NRFANRHFSA-N 1 1 477.630 5.280 40 0 JKABMO Cc1ccc(S[C@@]2(C[N@@H+]3CCC[C@@H](C)C3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000221902370 569883776 /nfs/dbraw/zinc/88/37/76/569883776.db2.gz OKVDLFGJKAENGO-OSPHWJPCSA-N 1 1 474.464 5.904 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C(C)C ZINC000223350080 569908250 /nfs/dbraw/zinc/90/82/50/569908250.db2.gz DTXXARTUFCOSND-GOSISDBHSA-N 1 1 461.021 6.009 40 0 JKABMO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000223555285 569915830 /nfs/dbraw/zinc/91/58/30/569915830.db2.gz MOOXZFUSXNRMIR-UHFFFAOYSA-N 1 1 457.401 5.554 40 0 JKABMO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000223717473 569920997 /nfs/dbraw/zinc/92/09/97/569920997.db2.gz JYTAVVAYSJAWNM-UHFFFAOYSA-N 1 1 463.449 5.698 40 0 JKABMO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ccccc2O1 ZINC000223967545 569928837 /nfs/dbraw/zinc/92/88/37/569928837.db2.gz DECDDLXNHXUJCY-QHCPKHFHSA-N 1 1 485.466 5.860 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1COC(C)C ZINC000224429236 569944251 /nfs/dbraw/zinc/94/42/51/569944251.db2.gz QCVORYIEDURKJU-UHFFFAOYSA-N 1 1 458.602 5.168 40 0 JKABMO CCCCOCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000224441001 569944666 /nfs/dbraw/zinc/94/46/66/569944666.db2.gz RCKVHEVMZOSYLY-UHFFFAOYSA-N 1 1 472.629 5.559 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(Cl)cc1 ZINC000224503109 569946455 /nfs/dbraw/zinc/94/64/55/569946455.db2.gz YUKHWWNXHSFUHL-UHFFFAOYSA-N 1 1 464.993 5.276 40 0 JKABMO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538720 569947727 /nfs/dbraw/zinc/94/77/27/569947727.db2.gz YAVZRAGENXDJCL-UHFFFAOYSA-N 1 1 453.369 6.744 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224546955 569947959 /nfs/dbraw/zinc/94/79/59/569947959.db2.gz SVRXDWHAEPJQIW-UHFFFAOYSA-N 1 1 479.020 5.584 40 0 JKABMO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)s2)cc1 ZINC000224884994 569961816 /nfs/dbraw/zinc/96/18/16/569961816.db2.gz CYIFRBORWKKUBB-UHFFFAOYSA-N 1 1 461.418 5.671 40 0 JKABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224917727 569963366 /nfs/dbraw/zinc/96/33/66/569963366.db2.gz CEXRPHXXFBYERV-UHFFFAOYSA-N 1 1 491.842 5.472 40 0 JKABMO O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224963549 569965473 /nfs/dbraw/zinc/96/54/73/569965473.db2.gz YFWFKZRVYZXXSP-UHFFFAOYSA-N 1 1 457.961 5.620 40 0 JKABMO CC(C)n1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4Cl)CC3)ccc21 ZINC000225166248 569979536 /nfs/dbraw/zinc/97/95/36/569979536.db2.gz QGQWKPWEXMBIGI-UHFFFAOYSA-N 1 1 478.445 5.801 40 0 JKABMO Cc1cc(Br)cc(C)c1NC(=S)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225223698 569983678 /nfs/dbraw/zinc/98/36/78/569983678.db2.gz FMEVNPIOBGFRGN-UHFFFAOYSA-N 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C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCCC3)cc2)C1 ZINC000225554300 570005262 /nfs/dbraw/zinc/00/52/62/570005262.db2.gz JPFXPRKAVCQQGX-QFIPXVFZSA-N 1 1 469.069 6.681 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556434 570005477 /nfs/dbraw/zinc/00/54/77/570005477.db2.gz DJCHBEAIUYDNEA-FQEVSTJZSA-N 1 1 489.487 7.087 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)cc2)C1 ZINC000225556335 570005510 /nfs/dbraw/zinc/00/55/10/570005510.db2.gz YDNORQLKTUMSMS-HXUWFJFHSA-N 1 1 489.487 6.945 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@@H]4C)cc3)CCCCC2)cc1 ZINC000225558987 570005673 /nfs/dbraw/zinc/00/56/73/570005673.db2.gz YDBHXUUODHIBLN-QFIPXVFZSA-N 1 1 450.623 5.789 40 0 JKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@@H]4C)cc3)CCOCC2)c1 ZINC000225567289 570006267 /nfs/dbraw/zinc/00/62/67/570006267.db2.gz CWDNGGFPYGHBKZ-QHCPKHFHSA-N 1 1 450.623 5.325 40 0 JKABMO 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468.619 5.400 40 0 JKABMO C=C1[NH+]=C(SCc2cccc3ccccc32)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408993240 570094708 /nfs/dbraw/zinc/09/47/08/570094708.db2.gz VWGCGWTXSYAITC-VWLOTQADSA-N 1 1 476.598 5.628 40 0 JKABMO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408994333 570095072 /nfs/dbraw/zinc/09/50/72/570095072.db2.gz YNGXUHYBOHDDGI-OAQYLSRUSA-N 1 1 491.009 5.137 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000253500460 570101886 /nfs/dbraw/zinc/10/18/86/570101886.db2.gz PGSNHSLHVLPSHU-RSXGOPAZSA-N 1 1 492.668 5.255 40 0 JKABMO Cc1ccc(C(=O)N2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1NCc1cccnc1 ZINC000257200340 570107907 /nfs/dbraw/zinc/10/79/07/570107907.db2.gz ACXMJXNLIAGXNL-XTEPFMGCSA-N 1 1 454.618 5.129 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC(c3nccnc3Oc3cccc(C)c3)CC2)c1 ZINC000257200830 570108082 /nfs/dbraw/zinc/10/80/82/570108082.db2.gz AFBHLFFLNBOQQC-UHFFFAOYSA-N 1 1 467.573 5.150 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000257208089 570110359 /nfs/dbraw/zinc/11/03/59/570110359.db2.gz BKRPVFNPGYKAMY-UHFFFAOYSA-N 1 1 450.586 5.245 40 0 JKABMO O=C1O[C@]2(CN1Cc1ccccc1)CCC[N@@H+](Cc1cccc(OCc3ccccn3)c1)CC2 ZINC000257212922 570111872 /nfs/dbraw/zinc/11/18/72/570111872.db2.gz CFLCVBYVIFYCCU-MUUNZHRXSA-N 1 1 457.574 5.038 40 0 JKABMO CC[N@@H+](CCCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1)Cc1ccccc1 ZINC000257213528 570112041 /nfs/dbraw/zinc/11/20/41/570112041.db2.gz CHYKVUQRTKJEPY-UHFFFAOYSA-N 1 1 488.647 5.860 40 0 JKABMO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257213592 570112263 /nfs/dbraw/zinc/11/22/63/570112263.db2.gz CIGAHSKZECALFA-NEKDWFFYSA-N 1 1 462.540 5.279 40 0 JKABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2c2ccccc2)CC1 ZINC000257220198 570114180 /nfs/dbraw/zinc/11/41/80/570114180.db2.gz DJYKVELULZPMEU-MUUNZHRXSA-N 1 1 454.614 5.208 40 0 JKABMO 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CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001353319 553956423 /nfs/dbraw/zinc/95/64/23/553956423.db2.gz VLXCNDSMTUSYPT-QFIPXVFZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001371119 553961188 /nfs/dbraw/zinc/96/11/88/553961188.db2.gz XFHHYWCBESQXGC-HSZRJFAPSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001371578 553961711 /nfs/dbraw/zinc/96/17/11/553961711.db2.gz NVNRXEXUWBUUED-NRFANRHFSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001371376 553961859 /nfs/dbraw/zinc/96/18/59/553961859.db2.gz ZYDQYZNMBJKIJX-JOCHJYFZSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000001375175 553963077 /nfs/dbraw/zinc/96/30/77/553963077.db2.gz VFMNDLNMKPQCOR-RUZDIDTESA-N 1 1 474.609 5.059 40 0 JKABMO 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ZINC000005105953 554486870 /nfs/dbraw/zinc/48/68/70/554486870.db2.gz NXVAKNZKQLCDTC-HNNXBMFYSA-N 1 1 450.801 6.230 40 0 JKABMO O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000005415037 554490652 /nfs/dbraw/zinc/49/06/52/554490652.db2.gz IMAPGRJVDPVDGO-PKOBYXMFSA-N 1 1 458.455 5.172 40 0 biogenic,in-vitro JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149413 554511700 /nfs/dbraw/zinc/51/17/00/554511700.db2.gz VSPOQPFZEXKGSX-DEOSSOPVSA-N 1 1 476.669 5.412 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149413 554511705 /nfs/dbraw/zinc/51/17/05/554511705.db2.gz VSPOQPFZEXKGSX-DEOSSOPVSA-N 1 1 476.669 5.412 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149051 554511722 /nfs/dbraw/zinc/51/17/22/554511722.db2.gz ZUTSMGOGJNQYIF-HHHXNRCGSA-N 1 1 498.675 5.321 40 0 JKABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006149209 554511810 /nfs/dbraw/zinc/51/18/10/554511810.db2.gz SOCYPFSAJOVYNO-XMMPIXPASA-N 1 1 492.668 5.194 40 0 JKABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006149209 554511812 /nfs/dbraw/zinc/51/18/12/554511812.db2.gz SOCYPFSAJOVYNO-XMMPIXPASA-N 1 1 492.668 5.194 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149121 554511826 /nfs/dbraw/zinc/51/18/26/554511826.db2.gz VSPOQPFZEXKGSX-XMMPIXPASA-N 1 1 476.669 5.412 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149121 554511828 /nfs/dbraw/zinc/51/18/28/554511828.db2.gz VSPOQPFZEXKGSX-XMMPIXPASA-N 1 1 476.669 5.412 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149573 554511850 /nfs/dbraw/zinc/51/18/50/554511850.db2.gz KSIRXZBPEMJFFE-QHCPKHFHSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149573 554511851 /nfs/dbraw/zinc/51/18/51/554511851.db2.gz KSIRXZBPEMJFFE-QHCPKHFHSA-N 1 1 462.642 5.104 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006409984 554534997 /nfs/dbraw/zinc/53/49/97/554534997.db2.gz CDLKXXULDMVCFV-XMMPIXPASA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006409984 554535001 /nfs/dbraw/zinc/53/50/01/554535001.db2.gz CDLKXXULDMVCFV-XMMPIXPASA-N 1 1 460.626 5.074 40 0 JKABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443977 554538034 /nfs/dbraw/zinc/53/80/34/554538034.db2.gz LOVOFFSXONUCCO-RUZDIDTESA-N 1 1 474.653 5.464 40 0 JKABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443977 554538037 /nfs/dbraw/zinc/53/80/37/554538037.db2.gz LOVOFFSXONUCCO-RUZDIDTESA-N 1 1 474.653 5.464 40 0 JKABMO COc1ccc(CN(CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000008398721 554573749 /nfs/dbraw/zinc/57/37/49/554573749.db2.gz QMYJRGWDZJUCJC-WENCSYSZSA-N 1 1 452.639 5.032 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2Cl)CC1 ZINC000008902282 554796107 /nfs/dbraw/zinc/79/61/07/554796107.db2.gz YGNQWQBEKRJIOP-WEVVVXLNSA-N 1 1 490.818 6.311 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2Cl)CC1 ZINC000008902277 554796125 /nfs/dbraw/zinc/79/61/25/554796125.db2.gz CQXBPICXSZCQGX-JXMROGBWSA-N 1 1 490.818 6.311 40 0 JKABMO COc1c2c(cc3c1[C@@H](CC(=O)[C@@]1(C)CC4=C(CCCC4(C)C)C[C@@H]1C)[N@H+](C)CC3)OCO2 ZINC000008917909 554813576 /nfs/dbraw/zinc/81/35/76/554813576.db2.gz NHRVEPPXQUAVEI-OKKIPLHTSA-N 1 1 453.623 5.855 40 0 JKABMO COc1c2c(cc3c1[C@@H](CC(=O)[C@@]1(C)CC4=C(CCCC4(C)C)C[C@@H]1C)[N@@H+](C)CC3)OCO2 ZINC000008917909 554813577 /nfs/dbraw/zinc/81/35/77/554813577.db2.gz NHRVEPPXQUAVEI-OKKIPLHTSA-N 1 1 453.623 5.855 40 0 JKABMO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063669 554881293 /nfs/dbraw/zinc/88/12/93/554881293.db2.gz NNLJTJLJYLJETC-UHFFFAOYSA-N 1 1 455.426 5.394 40 0 JKABMO O=C(Nc1ccc(Br)c(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063713 554881667 /nfs/dbraw/zinc/88/16/67/554881667.db2.gz CTQIWSRKYWXLKF-UHFFFAOYSA-N 1 1 460.174 5.746 40 0 JKABMO O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063695 554881680 /nfs/dbraw/zinc/88/16/80/554881680.db2.gz OBOFCEUPJOKWOI-UHFFFAOYSA-N 1 1 494.010 5.302 40 0 JKABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009319228 555094007 /nfs/dbraw/zinc/09/40/07/555094007.db2.gz GEQAKVQGBSMXMJ-BURNTYAHSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009319228 555094008 /nfs/dbraw/zinc/09/40/08/555094008.db2.gz GEQAKVQGBSMXMJ-BURNTYAHSA-N 1 1 469.368 5.124 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494559 555404964 /nfs/dbraw/zinc/40/49/64/555404964.db2.gz XKUJTQSPFIHHND-DEOSSOPVSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494559 555404967 /nfs/dbraw/zinc/40/49/67/555404967.db2.gz XKUJTQSPFIHHND-DEOSSOPVSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494564 555405395 /nfs/dbraw/zinc/40/53/95/555405395.db2.gz PREAFWDVEBUQHR-RUZDIDTESA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494564 555405398 /nfs/dbraw/zinc/40/53/98/555405398.db2.gz PREAFWDVEBUQHR-RUZDIDTESA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495804 555409671 /nfs/dbraw/zinc/40/96/71/555409671.db2.gz IMUXJKBHOHLQRV-AREMUKBSSA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495804 555409676 /nfs/dbraw/zinc/40/96/76/555409676.db2.gz IMUXJKBHOHLQRV-AREMUKBSSA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495836 555409720 /nfs/dbraw/zinc/40/97/20/555409720.db2.gz DVHLVSRPHAIJDX-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495836 555409723 /nfs/dbraw/zinc/40/97/23/555409723.db2.gz DVHLVSRPHAIJDX-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495871 555409839 /nfs/dbraw/zinc/40/98/39/555409839.db2.gz HUNNHHXZPQRUQV-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495871 555409842 /nfs/dbraw/zinc/40/98/42/555409842.db2.gz HUNNHHXZPQRUQV-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495888 555409868 /nfs/dbraw/zinc/40/98/68/555409868.db2.gz GGAFQLPXWNDASZ-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495888 555409873 /nfs/dbraw/zinc/40/98/73/555409873.db2.gz GGAFQLPXWNDASZ-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495934 555410038 /nfs/dbraw/zinc/41/00/38/555410038.db2.gz UYGBZQXFJNIVID-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495934 555410042 /nfs/dbraw/zinc/41/00/42/555410042.db2.gz UYGBZQXFJNIVID-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495924 555410150 /nfs/dbraw/zinc/41/01/50/555410150.db2.gz XKPOCFSNVNDKJF-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495924 555410152 /nfs/dbraw/zinc/41/01/52/555410152.db2.gz XKPOCFSNVNDKJF-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498440 555420717 /nfs/dbraw/zinc/42/07/17/555420717.db2.gz GOMZEEIELXCYQS-NDEPHWFRSA-N 1 1 498.675 5.634 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498440 555420720 /nfs/dbraw/zinc/42/07/20/555420720.db2.gz GOMZEEIELXCYQS-NDEPHWFRSA-N 1 1 498.675 5.634 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498586 555422375 /nfs/dbraw/zinc/42/23/75/555422375.db2.gz XAFVAKAOXJRNRM-MHZLTWQESA-N 1 1 484.648 5.208 40 0 JKABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013498635 555422999 /nfs/dbraw/zinc/42/29/99/555422999.db2.gz KTTJIBFMVZNPEM-VWLOTQADSA-N 1 1 478.641 5.170 40 0 JKABMO COc1ccc2cc(C[N@@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498734 555424183 /nfs/dbraw/zinc/42/41/83/555424183.db2.gz KHNAXSSKLZQUHT-SANMLTNESA-N 1 1 492.668 5.560 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498970 555426792 /nfs/dbraw/zinc/42/67/92/555426792.db2.gz IWENFZMNWVGMLD-MUUNZHRXSA-N 1 1 498.675 5.516 40 0 JKABMO Cc1cc(C)c2cc(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499032 555427749 /nfs/dbraw/zinc/42/77/49/555427749.db2.gz UHXJEEPXCZMYDH-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499032 555427750 /nfs/dbraw/zinc/42/77/50/555427750.db2.gz UHXJEEPXCZMYDH-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499099 555427889 /nfs/dbraw/zinc/42/78/89/555427889.db2.gz AULSQPOCGFMSMJ-NDEPHWFRSA-N 1 1 498.675 5.516 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000013499163 555428985 /nfs/dbraw/zinc/42/89/85/555428985.db2.gz QRDKZXBJIQAIRO-SANMLTNESA-N 1 1 488.636 5.305 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499251 555429574 /nfs/dbraw/zinc/42/95/74/555429574.db2.gz AXZLIOMLHYABIS-AREMUKBSSA-N 1 1 476.669 5.868 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499233 555429602 /nfs/dbraw/zinc/42/96/02/555429602.db2.gz VGKFMQJHFJLPPT-HSZRJFAPSA-N 1 1 450.631 5.118 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499292 555429904 /nfs/dbraw/zinc/42/99/04/555429904.db2.gz BFXIZWXIIAFEMK-MHZLTWQESA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499292 555429907 /nfs/dbraw/zinc/42/99/07/555429907.db2.gz BFXIZWXIIAFEMK-MHZLTWQESA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499287 555430061 /nfs/dbraw/zinc/43/00/61/555430061.db2.gz BVBFNXGIJBZLMM-RUZDIDTESA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499314 555430428 /nfs/dbraw/zinc/43/04/28/555430428.db2.gz KTQNLGCAUMKZFE-MHZLTWQESA-N 1 1 484.648 5.547 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013499376 555430969 /nfs/dbraw/zinc/43/09/69/555430969.db2.gz RWBHZZRJHXPPPT-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013499374 555431001 /nfs/dbraw/zinc/43/10/01/555431001.db2.gz CEPBSJONPWPAAV-SANMLTNESA-N 1 1 492.668 5.705 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499442 555431315 /nfs/dbraw/zinc/43/13/15/555431315.db2.gz XAPJVCIEHHBFFB-QHCPKHFHSA-N 1 1 450.631 5.172 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499441 555431373 /nfs/dbraw/zinc/43/13/73/555431373.db2.gz XAPJVCIEHHBFFB-HSZRJFAPSA-N 1 1 450.631 5.172 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499466 555431655 /nfs/dbraw/zinc/43/16/55/555431655.db2.gz LAHJDPHKJHAOHI-SANMLTNESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499530 555432606 /nfs/dbraw/zinc/43/26/06/555432606.db2.gz REVKEPKHQSRINL-NDEPHWFRSA-N 1 1 498.675 5.660 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499570 555433025 /nfs/dbraw/zinc/43/30/25/555433025.db2.gz UJYDBCVPDSTOPS-SANMLTNESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013499637 555433863 /nfs/dbraw/zinc/43/38/63/555433863.db2.gz BUKMRVFRIMUBJY-AREMUKBSSA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013499661 555434027 /nfs/dbraw/zinc/43/40/27/555434027.db2.gz NDEPJAXMHFDXOP-RUZDIDTESA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500062 555435932 /nfs/dbraw/zinc/43/59/32/555435932.db2.gz BNYBTGKBEBJULR-QHCPKHFHSA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500068 555436070 /nfs/dbraw/zinc/43/60/70/555436070.db2.gz VGCZUQBHJISRME-SANMLTNESA-N 1 1 484.648 5.466 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500096 555436402 /nfs/dbraw/zinc/43/64/02/555436402.db2.gz DEYLNVKHYQZBOH-QFIPXVFZSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500104 555436518 /nfs/dbraw/zinc/43/65/18/555436518.db2.gz WFCGHANAMXXHHL-VWLOTQADSA-N 1 1 488.611 5.296 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500099 555436523 /nfs/dbraw/zinc/43/65/23/555436523.db2.gz HURNFULKJYIVMN-XMMPIXPASA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500141 555436843 /nfs/dbraw/zinc/43/68/43/555436843.db2.gz UWLSEPBOCNAAPJ-AREMUKBSSA-N 1 1 488.611 5.296 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500177 555437183 /nfs/dbraw/zinc/43/71/83/555437183.db2.gz ARYSZQNGNFXGKE-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500177 555437185 /nfs/dbraw/zinc/43/71/85/555437185.db2.gz ARYSZQNGNFXGKE-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500158 555437194 /nfs/dbraw/zinc/43/71/94/555437194.db2.gz RCXSBCLUPFMTKG-SANMLTNESA-N 1 1 476.669 6.004 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500153 555437227 /nfs/dbraw/zinc/43/72/27/555437227.db2.gz CRCXWDDVWGFBPL-XMMPIXPASA-N 1 1 464.658 5.644 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500159 555437242 /nfs/dbraw/zinc/43/72/42/555437242.db2.gz AZKHJGXANADXLM-HHHXNRCGSA-N 1 1 484.648 5.547 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500167 555437261 /nfs/dbraw/zinc/43/72/61/555437261.db2.gz PUCIMFOLQQDEET-MUUNZHRXSA-N 1 1 498.675 5.742 40 0 JKABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500150 555437337 /nfs/dbraw/zinc/43/73/37/555437337.db2.gz GAWAHBGTGCVOON-MHZLTWQESA-N 1 1 484.648 5.352 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500278 555438579 /nfs/dbraw/zinc/43/85/79/555438579.db2.gz DPUOFJVQXMMIFT-SANMLTNESA-N 1 1 486.664 5.328 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500278 555438582 /nfs/dbraw/zinc/43/85/82/555438582.db2.gz DPUOFJVQXMMIFT-SANMLTNESA-N 1 1 486.664 5.328 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500511 555440945 /nfs/dbraw/zinc/44/09/45/555440945.db2.gz KUEJBXAQRSMZIY-NDEPHWFRSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500511 555440949 /nfs/dbraw/zinc/44/09/49/555440949.db2.gz KUEJBXAQRSMZIY-NDEPHWFRSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500508 555441181 /nfs/dbraw/zinc/44/11/81/555441181.db2.gz KQQLFBBLKZIEKQ-HHHXNRCGSA-N 1 1 484.648 5.380 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500508 555441182 /nfs/dbraw/zinc/44/11/82/555441182.db2.gz KQQLFBBLKZIEKQ-HHHXNRCGSA-N 1 1 484.648 5.380 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500632 555442160 /nfs/dbraw/zinc/44/21/60/555442160.db2.gz QGMKNLKPQDVJCE-AREMUKBSSA-N 1 1 488.611 5.152 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500633 555442192 /nfs/dbraw/zinc/44/21/92/555442192.db2.gz QGMKNLKPQDVJCE-SANMLTNESA-N 1 1 488.611 5.152 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500666 555442573 /nfs/dbraw/zinc/44/25/73/555442573.db2.gz MJDBGTYKMKAXNI-SANMLTNESA-N 1 1 492.668 5.560 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500648 555442615 /nfs/dbraw/zinc/44/26/15/555442615.db2.gz NNLQSZVJADVQJB-HHHXNRCGSA-N 1 1 484.648 5.403 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C(C)(C)CC)C(C)C)C3CCCC3)cc2c1 ZINC000013500662 555442627 /nfs/dbraw/zinc/44/26/27/555442627.db2.gz VLSOHOIGWZKLOO-DEOSSOPVSA-N 1 1 480.657 5.200 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500656 555442633 /nfs/dbraw/zinc/44/26/33/555442633.db2.gz HWKBZLFBJRLXQV-MUUNZHRXSA-N 1 1 498.675 5.598 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500667 555442639 /nfs/dbraw/zinc/44/26/39/555442639.db2.gz MJDBGTYKMKAXNI-AREMUKBSSA-N 1 1 492.668 5.560 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500757 555443517 /nfs/dbraw/zinc/44/35/17/555443517.db2.gz GGBYISCKZMEKBD-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500757 555443519 /nfs/dbraw/zinc/44/35/19/555443519.db2.gz GGBYISCKZMEKBD-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500988 555445845 /nfs/dbraw/zinc/44/58/45/555445845.db2.gz PVNAIRBUDOWZPV-HHHXNRCGSA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500988 555445850 /nfs/dbraw/zinc/44/58/50/555445850.db2.gz PVNAIRBUDOWZPV-HHHXNRCGSA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501068 555447232 /nfs/dbraw/zinc/44/72/32/555447232.db2.gz ZZXDKJQYSOWEGW-XMMPIXPASA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501068 555447236 /nfs/dbraw/zinc/44/72/36/555447236.db2.gz ZZXDKJQYSOWEGW-XMMPIXPASA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501094 555447254 /nfs/dbraw/zinc/44/72/54/555447254.db2.gz CVODEOFKUNAGRZ-HHHXNRCGSA-N 1 1 498.675 5.660 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501118 555447711 /nfs/dbraw/zinc/44/77/11/555447711.db2.gz WGRPMLMOFAWSFB-JOCHJYFZSA-N 1 1 450.631 5.254 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501164 555448107 /nfs/dbraw/zinc/44/81/07/555448107.db2.gz BXFSMEWQPZDQFU-AREMUKBSSA-N 1 1 488.611 5.296 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501173 555448195 /nfs/dbraw/zinc/44/81/95/555448195.db2.gz DSDVASXNBUVQEX-MHZLTWQESA-N 1 1 484.648 5.352 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501161 555448322 /nfs/dbraw/zinc/44/83/22/555448322.db2.gz YTUTZFRBUPXIBK-VWLOTQADSA-N 1 1 462.642 5.614 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501244 555448602 /nfs/dbraw/zinc/44/86/02/555448602.db2.gz ZNKQCXAIKJIJIP-UHFFFAOYSA-N 1 1 496.659 5.800 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501244 555448608 /nfs/dbraw/zinc/44/86/08/555448608.db2.gz ZNKQCXAIKJIJIP-UHFFFAOYSA-N 1 1 496.659 5.800 40 0 JKABMO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)N(c2ccccc2)c2ccc3ccccc3c2)CC1 ZINC000013562943 555498096 /nfs/dbraw/zinc/49/80/96/555498096.db2.gz OSNGJGHSQSSNFG-UHFFFAOYSA-N 1 1 477.608 5.632 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000013564980 555500617 /nfs/dbraw/zinc/50/06/17/555500617.db2.gz ROIVSUGODKVHSL-UHFFFAOYSA-N 1 1 492.620 5.275 40 0 JKABMO Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[N@H+](C)C5CCCCC5)n4)ccc32)c1 ZINC000013565011 555500647 /nfs/dbraw/zinc/50/06/47/555500647.db2.gz TWOYUPFEDISIHO-UHFFFAOYSA-N 1 1 488.657 5.524 40 0 JKABMO Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C[N@H+](C)C4CCCCC4)n3)ccc21 ZINC000013565009 555500665 /nfs/dbraw/zinc/50/06/65/555500665.db2.gz WIBCNTQQGHCFOU-UHFFFAOYSA-N 1 1 488.657 5.524 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013564985 555500687 /nfs/dbraw/zinc/50/06/87/555500687.db2.gz XVZDWSZDEIBISV-UHFFFAOYSA-N 1 1 492.620 5.275 40 0 JKABMO Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C[NH+]4CCCCCC4)n3)ccc21 ZINC000013564981 555500708 /nfs/dbraw/zinc/50/07/08/555500708.db2.gz SQCYCPYPSPWRTD-UHFFFAOYSA-N 1 1 474.630 5.136 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ncoc1-c1ccccc1 ZINC000013565408 555501763 /nfs/dbraw/zinc/50/17/63/555501763.db2.gz FVCNXWBNCLTODB-UHFFFAOYSA-N 1 1 456.521 5.055 40 0 JKABMO Cc1ccc(COc2ccc(C(=S)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000019842192 555509601 /nfs/dbraw/zinc/50/96/01/555509601.db2.gz YSUWFBPFZOTHJD-UHFFFAOYSA-N 1 1 492.688 6.657 40 0 JKABMO Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000013616289 555536607 /nfs/dbraw/zinc/53/66/07/555536607.db2.gz OMDOPFWCNBJSMI-GOTSBHOMSA-N 1 1 481.770 6.451 40 0 JKABMO COc1ccc([C@@H]([NH2+]CC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000013774455 555615520 /nfs/dbraw/zinc/61/55/20/555615520.db2.gz RKZLOOJIGRCSPB-BUALBWRZSA-N 1 1 479.592 6.320 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000020106146 555639577 /nfs/dbraw/zinc/63/95/77/555639577.db2.gz JJRXHLQWYOEOCO-QGZVFWFLSA-N 1 1 451.463 5.889 40 0 JKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)C[N@H+](Cc1ccccc1)CC3 ZINC000014162730 555716751 /nfs/dbraw/zinc/71/67/51/555716751.db2.gz FPEURLDTPPSDLH-UHFFFAOYSA-N 1 1 473.545 5.687 40 0 JKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162730 555716754 /nfs/dbraw/zinc/71/67/54/555716754.db2.gz FPEURLDTPPSDLH-UHFFFAOYSA-N 1 1 473.545 5.687 40 0 JKABMO O=C(CSCc1cccc(Br)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238346 555732143 /nfs/dbraw/zinc/73/21/43/555732143.db2.gz GEWFFMJLOSWMCI-UHFFFAOYSA-N 1 1 495.486 5.616 40 0 JKABMO Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000014273617 555773955 /nfs/dbraw/zinc/77/39/55/555773955.db2.gz CTUCFPAIPSWYPP-UHFFFAOYSA-N 1 1 464.009 5.297 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000014273669 555774300 /nfs/dbraw/zinc/77/43/00/555774300.db2.gz JSHRZAVIDFGYON-QPJJXVBHSA-N 1 1 468.812 5.449 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000014277275 555785747 /nfs/dbraw/zinc/78/57/47/555785747.db2.gz ALBZALIQJGJOOV-UHFFFAOYSA-N 1 1 479.049 5.276 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(Br)cc1 ZINC000014291036 555791851 /nfs/dbraw/zinc/79/18/51/555791851.db2.gz FFXSRRNNIBQDIM-UHFFFAOYSA-N 1 1 484.825 5.677 40 0 JKABMO O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014291039 555791863 /nfs/dbraw/zinc/79/18/63/555791863.db2.gz VOGNXSPCCKVUHU-UHFFFAOYSA-N 1 1 486.015 5.833 40 0 JKABMO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc(C)c1Cl ZINC000014291040 555791978 /nfs/dbraw/zinc/79/19/78/555791978.db2.gz ICJNZAVZVNXUNG-UHFFFAOYSA-N 1 1 498.454 5.950 40 0 JKABMO Cc1cc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000014399117 555804500 /nfs/dbraw/zinc/80/45/00/555804500.db2.gz OWVJCKGAVILLAR-JOCHJYFZSA-N 1 1 463.021 5.658 40 0 JKABMO O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000014411658 555810636 /nfs/dbraw/zinc/81/06/36/555810636.db2.gz WCESXGBJRLRVRK-UHFFFAOYSA-N 1 1 455.783 5.913 40 0 JKABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022075142 555871098 /nfs/dbraw/zinc/87/10/98/555871098.db2.gz CPCIMUABYPTCRD-UHFFFAOYSA-N 1 1 455.824 5.122 40 0 JKABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022075670 555871152 /nfs/dbraw/zinc/87/11/52/555871152.db2.gz ROMQJFURYACNQD-UHFFFAOYSA-N 1 1 459.845 6.056 40 0 JKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076339 555871608 /nfs/dbraw/zinc/87/16/08/555871608.db2.gz FWLLXDCTLWOSNH-UHFFFAOYSA-N 1 1 485.205 6.616 40 0 JKABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000015276463 555892075 /nfs/dbraw/zinc/89/20/75/555892075.db2.gz UATSORGDFWLUQU-HIFRSBDPSA-N 1 1 498.958 5.551 40 0 JKABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674179 555933232 /nfs/dbraw/zinc/93/32/32/555933232.db2.gz ZYXFSGAEHQJVMY-IRLDBZIGSA-N 1 1 466.463 5.125 40 0 biogenic,in-vitro JKABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674179 555933235 /nfs/dbraw/zinc/93/32/35/555933235.db2.gz ZYXFSGAEHQJVMY-IRLDBZIGSA-N 1 1 466.463 5.125 40 0 biogenic,in-vitro JKABMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000022918361 555972070 /nfs/dbraw/zinc/97/20/70/555972070.db2.gz ZGYQVMZTTCMRKW-ZUFNSVOPSA-N 1 1 497.470 5.364 40 0 JKABMO CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@@H+]1CC ZINC000012635591 556094381 /nfs/dbraw/zinc/09/43/81/556094381.db2.gz WOIZXHARACAJMI-DEOSSOPVSA-N 1 1 476.690 5.391 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)N[C@@H](C)c1ccccc1 ZINC000012635702 556094693 /nfs/dbraw/zinc/09/46/93/556094693.db2.gz XYVQEATUUZJMBO-OFVILXPXSA-N 1 1 476.690 5.067 40 0 JKABMO CCOc1ccc(C[NH+]2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc43)CC2)cc1 ZINC000012639767 556096188 /nfs/dbraw/zinc/09/61/88/556096188.db2.gz PAZMBICMMRJWHC-UHFFFAOYSA-N 1 1 466.010 5.128 40 0 JKABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1c(CC)cccc1CC ZINC000012643818 556096782 /nfs/dbraw/zinc/09/67/82/556096782.db2.gz UJXBKUDDTZQVIK-CWAQXLGLSA-N 1 1 492.664 5.356 40 0 JKABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(CC)cccc1CC ZINC000012643818 556096785 /nfs/dbraw/zinc/09/67/85/556096785.db2.gz UJXBKUDDTZQVIK-CWAQXLGLSA-N 1 1 492.664 5.356 40 0 JKABMO C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012876570 556122127 /nfs/dbraw/zinc/12/21/27/556122127.db2.gz RKDCAMBKGKRXFM-SFHVURJKSA-N 1 1 471.651 6.694 40 0 JKABMO OCCN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768346 556158481 /nfs/dbraw/zinc/15/84/81/556158481.db2.gz XKXMMRIURWMDGX-UHFFFAOYSA-N 1 1 488.513 6.105 40 0 JKABMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575432 556222472 /nfs/dbraw/zinc/22/24/72/556222472.db2.gz XUYWHPLJOIXBAC-RPWUZVMVSA-N 1 1 477.351 5.806 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000013034036 556232054 /nfs/dbraw/zinc/23/20/54/556232054.db2.gz IUSPECDWOYMGEB-VWLOTQADSA-N 1 1 462.642 5.478 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C(C)(C)CC)C3CCCCC3)cc2c1 ZINC000013034012 556232106 /nfs/dbraw/zinc/23/21/06/556232106.db2.gz JVPSOHUQVHULHK-XMMPIXPASA-N 1 1 464.658 5.508 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063822 556261131 /nfs/dbraw/zinc/26/11/31/556261131.db2.gz ZTPBYGMCOMORNM-SANMLTNESA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063822 556261133 /nfs/dbraw/zinc/26/11/33/556261133.db2.gz ZTPBYGMCOMORNM-SANMLTNESA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063871 556261152 /nfs/dbraw/zinc/26/11/52/556261152.db2.gz QJBDVWYZOSMPAY-AREMUKBSSA-N 1 1 470.621 5.157 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063821 556261245 /nfs/dbraw/zinc/26/12/45/556261245.db2.gz ZTPBYGMCOMORNM-AREMUKBSSA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063821 556261246 /nfs/dbraw/zinc/26/12/46/556261246.db2.gz ZTPBYGMCOMORNM-AREMUKBSSA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064070 556261456 /nfs/dbraw/zinc/26/14/56/556261456.db2.gz RZEUEKYQBZCUKS-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064071 556261619 /nfs/dbraw/zinc/26/16/19/556261619.db2.gz RZEUEKYQBZCUKS-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064611 556262346 /nfs/dbraw/zinc/26/23/46/556262346.db2.gz PMKCGHPYTSKRLT-AREMUKBSSA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064734 556262686 /nfs/dbraw/zinc/26/26/86/556262686.db2.gz FPUJOVMSTUSWSC-MUUNZHRXSA-N 1 1 498.675 5.660 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064735 556262705 /nfs/dbraw/zinc/26/27/05/556262705.db2.gz FPUJOVMSTUSWSC-NDEPHWFRSA-N 1 1 498.675 5.660 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064847 556262718 /nfs/dbraw/zinc/26/27/18/556262718.db2.gz VATSQIAXMBNONH-SANMLTNESA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064798 556262762 /nfs/dbraw/zinc/26/27/62/556262762.db2.gz XKOLODUXEZJPJJ-XMMPIXPASA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064823 556262787 /nfs/dbraw/zinc/26/27/87/556262787.db2.gz RUMMCLAKNTYTIL-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064848 556262795 /nfs/dbraw/zinc/26/27/95/556262795.db2.gz ZFJWQPXTSHODQF-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064848 556262799 /nfs/dbraw/zinc/26/27/99/556262799.db2.gz ZFJWQPXTSHODQF-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064801 556262805 /nfs/dbraw/zinc/26/28/05/556262805.db2.gz AYEQGGGNYWHQCZ-QHCPKHFHSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064801 556262807 /nfs/dbraw/zinc/26/28/07/556262807.db2.gz AYEQGGGNYWHQCZ-QHCPKHFHSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064989 556263216 /nfs/dbraw/zinc/26/32/16/556263216.db2.gz CIXWMXNCOWTEDL-NDEPHWFRSA-N 1 1 498.675 5.660 40 0 JKABMO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000028296601 556331036 /nfs/dbraw/zinc/33/10/36/556331036.db2.gz CPUSEDMZFOPLDE-RSGWKFRKSA-N 1 1 484.640 5.484 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030943343 556389038 /nfs/dbraw/zinc/38/90/38/556389038.db2.gz GWIDONIBWFTWTL-IBGZPJMESA-N 1 1 463.405 5.801 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030943343 556389042 /nfs/dbraw/zinc/38/90/42/556389042.db2.gz GWIDONIBWFTWTL-IBGZPJMESA-N 1 1 463.405 5.801 40 0 JKABMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1Cl ZINC000059557249 569606769 /nfs/dbraw/zinc/60/67/69/569606769.db2.gz NBSIVHPTPZEVSZ-UHFFFAOYSA-N 1 1 454.401 5.876 40 0 JKABMO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1C ZINC000059557280 569606780 /nfs/dbraw/zinc/60/67/80/569606780.db2.gz PJPCOISZZOHLMW-UHFFFAOYSA-N 1 1 464.009 5.297 40 0 JKABMO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(C)c1 ZINC000059557279 569606805 /nfs/dbraw/zinc/60/68/05/569606805.db2.gz CHERNAYUCUDITB-UHFFFAOYSA-N 1 1 464.009 5.297 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc(Br)c1 ZINC000059559217 569606893 /nfs/dbraw/zinc/60/68/93/569606893.db2.gz LYLJEMXATKEFBN-UHFFFAOYSA-N 1 1 484.825 5.677 40 0 JKABMO S=C(c1ccc(OCc2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033432121 569626233 /nfs/dbraw/zinc/62/62/33/569626233.db2.gz JJKYKKGAPJHMED-UHFFFAOYSA-N 1 1 481.459 5.521 40 0 JKABMO Fc1ccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Cl)cc1 ZINC000033709036 569631336 /nfs/dbraw/zinc/63/13/36/569631336.db2.gz HYDJWRNDBXGOBT-UHFFFAOYSA-N 1 1 454.998 5.551 40 0 JKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F ZINC000033860148 569636532 /nfs/dbraw/zinc/63/65/32/569636532.db2.gz SEJGKZRGEBDOMW-UHFFFAOYSA-N 1 1 485.024 5.560 40 0 JKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1cccc2ccccc21 ZINC000034835229 569664937 /nfs/dbraw/zinc/66/49/37/569664937.db2.gz ZZMYJKKVFXUAEZ-UHFFFAOYSA-N 1 1 482.649 5.921 40 0 JKABMO C[C@@H]1C[N@H+]2CCC[C@H]3CCCCCC[C@H]4CCN5CCC[C@](O)(CCCCCC[C@@H]1O[C@H]32)[C@H]5O4 ZINC000095871255 569729327 /nfs/dbraw/zinc/72/93/27/569729327.db2.gz VJEURJNEIZLTJG-CRWYAUIZSA-N 1 1 476.746 5.696 40 0 JKABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096214567 569738431 /nfs/dbraw/zinc/73/84/31/569738431.db2.gz PYVXOAUDNWJGSL-LJAQVGFWSA-N 1 1 459.033 6.207 40 0 JKABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000096214555 569738484 /nfs/dbraw/zinc/73/84/84/569738484.db2.gz ZGFOREFLMWPLRC-QHCPKHFHSA-N 1 1 450.932 5.559 40 0 JKABMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100189017 569755084 /nfs/dbraw/zinc/75/50/84/569755084.db2.gz VVESZKCTNSMUOY-RUZDIDTESA-N 1 1 484.040 5.508 40 0 JKABMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)cc1 ZINC000036729318 569780574 /nfs/dbraw/zinc/78/05/74/569780574.db2.gz LRQVVOIYJXKCHO-HHHXNRCGSA-N 1 1 495.030 5.440 40 0 JKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834407 569808695 /nfs/dbraw/zinc/80/86/95/569808695.db2.gz GXYOFKXPNDJCMT-GOSISDBHSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834407 569808696 /nfs/dbraw/zinc/80/86/96/569808696.db2.gz GXYOFKXPNDJCMT-GOSISDBHSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038860800 569809005 /nfs/dbraw/zinc/80/90/05/569809005.db2.gz YBQNWKZDRPVYQE-GOSISDBHSA-N 1 1 489.830 7.290 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038860800 569809006 /nfs/dbraw/zinc/80/90/06/569809006.db2.gz YBQNWKZDRPVYQE-GOSISDBHSA-N 1 1 489.830 7.290 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038860792 569809014 /nfs/dbraw/zinc/80/90/14/569809014.db2.gz QEROVJACIVGLEM-LJQANCHMSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038860810 569809030 /nfs/dbraw/zinc/80/90/30/569809030.db2.gz DZPPUPATDXMPQI-QGZVFWFLSA-N 1 1 489.830 7.290 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038860810 569809032 /nfs/dbraw/zinc/80/90/32/569809032.db2.gz DZPPUPATDXMPQI-QGZVFWFLSA-N 1 1 489.830 7.290 40 0 JKABMO S=C(c1ccccc1OCc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000107739172 569857233 /nfs/dbraw/zinc/85/72/33/569857233.db2.gz CCJMFJVXRAVWGV-UHFFFAOYSA-N 1 1 471.453 6.066 40 0 JKABMO S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000107991459 569858222 /nfs/dbraw/zinc/85/82/22/569858222.db2.gz FKAAXVZHCDAEFW-UHFFFAOYSA-N 1 1 471.453 6.066 40 0 JKABMO 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CC[C@H](C)C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257339665 570150432 /nfs/dbraw/zinc/15/04/32/570150432.db2.gz ZCRJZLPXGVRKQE-RBISFHTESA-N 1 1 471.085 6.204 40 0 JKABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)ccc1Cl ZINC000257344255 570151702 /nfs/dbraw/zinc/15/17/02/570151702.db2.gz ZWIBRIFINVEFOY-MUUNZHRXSA-N 1 1 496.051 5.040 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@H]4C)cc3)CCOCC2)cc1 ZINC000260812517 570159007 /nfs/dbraw/zinc/15/90/07/570159007.db2.gz DTVHYRSNAFZWMH-JOCHJYFZSA-N 1 1 466.622 5.025 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000409265355 570188348 /nfs/dbraw/zinc/18/83/48/570188348.db2.gz HSVVFZKIFOTXGP-UHFFFAOYSA-N 1 1 450.607 6.648 40 0 JKABMO COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]Cc4ccccc4Cl)cc23)cc1 ZINC000057720865 195358509 /nfs/dbraw/zinc/35/85/09/195358509.db2.gz AEBCWVHRLCZDAO-UHFFFAOYSA-N 1 1 470.960 5.333 40 0 JKABMO CCC[N@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022454235 519864764 /nfs/dbraw/zinc/86/47/64/519864764.db2.gz SIGUESLDUAWFPE-UMTXDNHDSA-N 1 1 451.655 5.071 40 0 in-vitro JKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688555 520724976 /nfs/dbraw/zinc/72/49/76/520724976.db2.gz VLUMLPAHDZTPRF-UHFFFAOYSA-N 1 1 496.232 6.418 40 0 JKABMO CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020457240 522918590 /nfs/dbraw/zinc/91/85/90/522918590.db2.gz OZBGQBCBIGSAHA-VWLOTQADSA-N 1 1 465.062 6.145 40 0 JKABMO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000044839468 525107631 /nfs/dbraw/zinc/10/76/31/525107631.db2.gz XFORLAQIUGFXHW-NRFANRHFSA-N 1 1 476.642 5.118 40 0 JKABMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccn2)c(Cl)c1 ZINC000016545935 526951983 /nfs/dbraw/zinc/95/19/83/526951983.db2.gz ROCMLKXGJHJMBQ-UHFFFAOYSA-N 1 1 452.179 6.020 40 0 JKABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000020503199 527448053 /nfs/dbraw/zinc/44/80/53/527448053.db2.gz PAYOVPBPLPQZPH-NZQKXSOJSA-N 1 1 463.606 5.898 40 0 biogenic,in-vitro JKABMO FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000033699475 527682745 /nfs/dbraw/zinc/68/27/45/527682745.db2.gz XBGBXONEELVYPX-OBNJBMLMSA-N 1 1 470.004 5.951 40 0 JKABMO O=C(C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000001326232 553942158 /nfs/dbraw/zinc/94/21/58/553942158.db2.gz GKCJNWRPZJZTJA-UHFFFAOYSA-N 1 1 457.062 5.890 40 0 JKABMO Cc1ccc2nc(C3CC[NH+](CC(=O)N4c5ccccc5CCc5ccccc54)CC3)[nH]c2c1 ZINC000001335242 553949933 /nfs/dbraw/zinc/94/99/33/553949933.db2.gz AIRMJUKOURBZIN-UHFFFAOYSA-N 1 1 450.586 5.514 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001371115 553960919 /nfs/dbraw/zinc/96/09/19/553960919.db2.gz CAJPGVZDZAFKIQ-HSZRJFAPSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001371111 553960958 /nfs/dbraw/zinc/96/09/58/553960958.db2.gz DQKTYJZNJBKWBK-OAQYLSRUSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001371366 553961831 /nfs/dbraw/zinc/96/18/31/553961831.db2.gz WCDMOCYWYYZVAN-FQEVSTJZSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374197 553962657 /nfs/dbraw/zinc/96/26/57/553962657.db2.gz MDZCAUWGRQHNDK-NDEPHWFRSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374197 553962658 /nfs/dbraw/zinc/96/26/58/553962658.db2.gz MDZCAUWGRQHNDK-NDEPHWFRSA-N 1 1 492.627 5.067 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000001374085 553962747 /nfs/dbraw/zinc/96/27/47/553962747.db2.gz CDMJNKOPMZALGE-RUZDIDTESA-N 1 1 474.609 5.004 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000001375518 553963395 /nfs/dbraw/zinc/96/33/95/553963395.db2.gz IRZITSZQQZHHKE-XMMPIXPASA-N 1 1 474.609 5.059 40 0 JKABMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c1C ZINC000001448843 553973328 /nfs/dbraw/zinc/97/33/28/553973328.db2.gz UQVCOIANJQIJQW-OAQYLSRUSA-N 1 1 475.561 5.148 40 0 JKABMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCC(Cc5ccccc5)CC4)cc3)sc2c1 ZINC000002195774 554089238 /nfs/dbraw/zinc/08/92/38/554089238.db2.gz HYOGBCHEGOLXSK-UHFFFAOYSA-N 1 1 455.627 6.165 40 0 JKABMO CCc1cc([C@H](c2ccc(Br)cc2)[NH+]2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551872 554235719 /nfs/dbraw/zinc/23/57/19/554235719.db2.gz NPVKEEWPSFXOCP-QFIPXVFZSA-N 1 1 469.448 6.511 40 0 JKABMO CCCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(OC)cc2)cc1 ZINC000002715270 554301126 /nfs/dbraw/zinc/30/11/26/554301126.db2.gz LZTKTGBMTJDUBN-UHFFFAOYSA-N 1 1 464.569 6.497 40 0 JKABMO COc1ccc(CC[N@H+]2[C@@H](CC(=O)c3ccccc3)CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000005082452 554486350 /nfs/dbraw/zinc/48/63/50/554486350.db2.gz AMSBWFOEIREWJZ-MKPDMIMOSA-N 1 1 455.598 6.007 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149348 554511763 /nfs/dbraw/zinc/51/17/63/554511763.db2.gz ZUTSMGOGJNQYIF-MHZLTWQESA-N 1 1 498.675 5.321 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006301202 554529790 /nfs/dbraw/zinc/52/97/90/554529790.db2.gz IFRPWHZPLLJHKP-HHHXNRCGSA-N 1 1 496.659 5.315 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006301202 554529794 /nfs/dbraw/zinc/52/97/94/554529794.db2.gz IFRPWHZPLLJHKP-HHHXNRCGSA-N 1 1 496.659 5.315 40 0 JKABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301592 554530260 /nfs/dbraw/zinc/53/02/60/554530260.db2.gz AKYJDASJCBYEJC-VWLOTQADSA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301592 554530265 /nfs/dbraw/zinc/53/02/65/554530265.db2.gz AKYJDASJCBYEJC-VWLOTQADSA-N 1 1 474.653 5.382 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006409851 554534946 /nfs/dbraw/zinc/53/49/46/554534946.db2.gz KACSXISQRNTSRO-VWLOTQADSA-N 1 1 474.653 5.464 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006409851 554534952 /nfs/dbraw/zinc/53/49/52/554534952.db2.gz KACSXISQRNTSRO-VWLOTQADSA-N 1 1 474.653 5.464 40 0 JKABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443863 554538052 /nfs/dbraw/zinc/53/80/52/554538052.db2.gz HBDCGQZNMQZFRW-SANMLTNESA-N 1 1 482.632 5.007 40 0 JKABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443863 554538057 /nfs/dbraw/zinc/53/80/57/554538057.db2.gz HBDCGQZNMQZFRW-SANMLTNESA-N 1 1 482.632 5.007 40 0 JKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000008832683 554727546 /nfs/dbraw/zinc/72/75/46/554727546.db2.gz MGFZIJQRGFYSJJ-UHFFFAOYSA-N 1 1 468.837 6.256 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2Cl)CC1 ZINC000008832653 554727563 /nfs/dbraw/zinc/72/75/63/554727563.db2.gz NTMHGBLMSHGGPZ-UHFFFAOYSA-N 1 1 464.780 5.911 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000008832651 554727637 /nfs/dbraw/zinc/72/76/37/554727637.db2.gz HCIWEKAIXWMKEN-DHZHZOJOSA-N 1 1 456.373 5.657 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000008898316 554788707 /nfs/dbraw/zinc/78/87/07/554788707.db2.gz HROLWUDXDFAIAM-UHFFFAOYSA-N 1 1 493.076 5.127 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2Cl)CC1 ZINC000008902272 554796088 /nfs/dbraw/zinc/79/60/88/554796088.db2.gz TUBNLUHQRNCCJT-UHFFFAOYSA-N 1 1 474.786 5.367 40 0 JKABMO Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1Cl ZINC000008902286 554796342 /nfs/dbraw/zinc/79/63/42/554796342.db2.gz KTUCSPNYCAQBET-UHFFFAOYSA-N 1 1 491.246 5.686 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2Cl)CC1 ZINC000008902290 554796368 /nfs/dbraw/zinc/79/63/68/554796368.db2.gz PYZMDNVXQAPPTM-QPJJXVBHSA-N 1 1 490.818 6.311 40 0 JKABMO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063680 554881369 /nfs/dbraw/zinc/88/13/69/554881369.db2.gz ADHXOJUKODZZFM-UHFFFAOYSA-N 1 1 452.957 5.909 40 0 JKABMO O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063726 554881642 /nfs/dbraw/zinc/88/16/42/554881642.db2.gz IURXJUXHZJIBII-UHFFFAOYSA-N 1 1 472.004 5.346 40 0 JKABMO C[C@@H](NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000009063699 554881655 /nfs/dbraw/zinc/88/16/55/554881655.db2.gz ATQYYJYRHVBPFS-LJQANCHMSA-N 1 1 494.010 5.821 40 0 JKABMO C[C@H](NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000009063698 554881689 /nfs/dbraw/zinc/88/16/89/554881689.db2.gz ATQYYJYRHVBPFS-IBGZPJMESA-N 1 1 494.010 5.821 40 0 JKABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158759 554948624 /nfs/dbraw/zinc/94/86/24/554948624.db2.gz PFLHLGZYSZANII-MHZHKKNFSA-N 1 1 474.601 5.164 40 0 JKABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158759 554948626 /nfs/dbraw/zinc/94/86/26/554948626.db2.gz PFLHLGZYSZANII-MHZHKKNFSA-N 1 1 474.601 5.164 40 0 JKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280839 555049753 /nfs/dbraw/zinc/04/97/53/555049753.db2.gz SBYSBUXPPSFTJO-OIFPXGRLSA-N 1 1 474.601 5.164 40 0 JKABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280839 555049754 /nfs/dbraw/zinc/04/97/54/555049754.db2.gz SBYSBUXPPSFTJO-OIFPXGRLSA-N 1 1 474.601 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495805 555409516 /nfs/dbraw/zinc/40/95/16/555409516.db2.gz IMUXJKBHOHLQRV-SANMLTNESA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495805 555409518 /nfs/dbraw/zinc/40/95/18/555409518.db2.gz IMUXJKBHOHLQRV-SANMLTNESA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495822 555409530 /nfs/dbraw/zinc/40/95/30/555409530.db2.gz XLOFBTULMWJVSA-HHHXNRCGSA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495822 555409532 /nfs/dbraw/zinc/40/95/32/555409532.db2.gz XLOFBTULMWJVSA-HHHXNRCGSA-N 1 1 484.648 5.524 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495802 555409728 /nfs/dbraw/zinc/40/97/28/555409728.db2.gz SDLVNASAMGAQKF-RUZDIDTESA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495802 555409730 /nfs/dbraw/zinc/40/97/30/555409730.db2.gz SDLVNASAMGAQKF-RUZDIDTESA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495940 555409963 /nfs/dbraw/zinc/40/99/63/555409963.db2.gz ZKQPPSRWBDNGPE-HHHXNRCGSA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495940 555409969 /nfs/dbraw/zinc/40/99/69/555409969.db2.gz ZKQPPSRWBDNGPE-HHHXNRCGSA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495941 555410142 /nfs/dbraw/zinc/41/01/42/555410142.db2.gz ZKQPPSRWBDNGPE-MHZLTWQESA-N 1 1 498.675 5.751 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495941 555410145 /nfs/dbraw/zinc/41/01/45/555410145.db2.gz ZKQPPSRWBDNGPE-MHZLTWQESA-N 1 1 498.675 5.751 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013498452 555420629 /nfs/dbraw/zinc/42/06/29/555420629.db2.gz CVUQYPDAXZLVRP-MHZLTWQESA-N 1 1 484.648 5.267 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498502 555421256 /nfs/dbraw/zinc/42/12/56/555421256.db2.gz BDBALAWIYQCBSP-AREMUKBSSA-N 1 1 486.664 5.410 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498502 555421258 /nfs/dbraw/zinc/42/12/58/555421258.db2.gz BDBALAWIYQCBSP-AREMUKBSSA-N 1 1 486.664 5.410 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498525 555421536 /nfs/dbraw/zinc/42/15/36/555421536.db2.gz KMVUNUGYPFBROW-SANMLTNESA-N 1 1 476.669 5.860 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498549 555422027 /nfs/dbraw/zinc/42/20/27/555422027.db2.gz JYIBESLALBFOBE-MHZLTWQESA-N 1 1 484.648 5.403 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013498622 555422937 /nfs/dbraw/zinc/42/29/37/555422937.db2.gz FACOPNJIVSBWAP-DEOSSOPVSA-N 1 1 480.657 5.200 40 0 JKABMO Cc1cc2cc(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498882 555425544 /nfs/dbraw/zinc/42/55/44/555425544.db2.gz VBVHDZBPNNJTQJ-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cc2cc(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498882 555425546 /nfs/dbraw/zinc/42/55/46/555425546.db2.gz VBVHDZBPNNJTQJ-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499030 555427265 /nfs/dbraw/zinc/42/72/65/555427265.db2.gz TVLWEFCELCXHBQ-RUZDIDTESA-N 1 1 462.642 5.388 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499045 555427649 /nfs/dbraw/zinc/42/76/49/555427649.db2.gz FJZJVIVICYBBPF-SANMLTNESA-N 1 1 476.669 5.779 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000013499141 555428394 /nfs/dbraw/zinc/42/83/94/555428394.db2.gz WYZRYEZFGLDZLF-SANMLTNESA-N 1 1 476.669 5.779 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499175 555428839 /nfs/dbraw/zinc/42/88/39/555428839.db2.gz AYZMBWUBDQSWBM-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499175 555428840 /nfs/dbraw/zinc/42/88/40/555428840.db2.gz AYZMBWUBDQSWBM-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499174 555428949 /nfs/dbraw/zinc/42/89/49/555428949.db2.gz AYZMBWUBDQSWBM-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499174 555428953 /nfs/dbraw/zinc/42/89/53/555428953.db2.gz AYZMBWUBDQSWBM-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499234 555429551 /nfs/dbraw/zinc/42/95/51/555429551.db2.gz VGKFMQJHFJLPPT-QHCPKHFHSA-N 1 1 450.631 5.118 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013499239 555429642 /nfs/dbraw/zinc/42/96/42/555429642.db2.gz CPIYTZDGOXKRNW-AREMUKBSSA-N 1 1 476.669 5.868 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499252 555429674 /nfs/dbraw/zinc/42/96/74/555429674.db2.gz AXZLIOMLHYABIS-SANMLTNESA-N 1 1 476.669 5.868 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499284 555429952 /nfs/dbraw/zinc/42/99/52/555429952.db2.gz MBZKZYQSIUGTKQ-DEOSSOPVSA-N 1 1 464.658 5.644 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499329 555430317 /nfs/dbraw/zinc/43/03/17/555430317.db2.gz YRIXLPQYDQJXNS-RUZDIDTESA-N 1 1 474.609 5.140 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499325 555430392 /nfs/dbraw/zinc/43/03/92/555430392.db2.gz MOZHNAWOZXZCNM-AREMUKBSSA-N 1 1 488.611 5.296 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499333 555430443 /nfs/dbraw/zinc/43/04/43/555430443.db2.gz KIPXVWXOTWRDNY-HHHXNRCGSA-N 1 1 484.648 5.352 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499469 555431663 /nfs/dbraw/zinc/43/16/63/555431663.db2.gz MTYOURQCEGCAEM-MUUNZHRXSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499469 555431664 /nfs/dbraw/zinc/43/16/64/555431664.db2.gz MTYOURQCEGCAEM-MUUNZHRXSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499455 555431695 /nfs/dbraw/zinc/43/16/95/555431695.db2.gz UBBJZDUMSGDTGH-RUZDIDTESA-N 1 1 478.685 5.953 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499458 555431730 /nfs/dbraw/zinc/43/17/30/555431730.db2.gz WZSYYAUHYGIOOG-DEOSSOPVSA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499465 555431748 /nfs/dbraw/zinc/43/17/48/555431748.db2.gz LAHJDPHKJHAOHI-AREMUKBSSA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499468 555431863 /nfs/dbraw/zinc/43/18/63/555431863.db2.gz DODOPCQAAUTLQE-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499525 555432108 /nfs/dbraw/zinc/43/21/08/555432108.db2.gz HCFTUTPXYOHRQJ-RUZDIDTESA-N 1 1 474.609 5.059 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499494 555432162 /nfs/dbraw/zinc/43/21/62/555432162.db2.gz DZUOGGALXMOEMM-MHZLTWQESA-N 1 1 484.648 5.466 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499492 555432245 /nfs/dbraw/zinc/43/22/45/555432245.db2.gz AYUNZVIYRUWXGU-NDEPHWFRSA-N 1 1 498.675 5.856 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499528 555432673 /nfs/dbraw/zinc/43/26/73/555432673.db2.gz UEYNDHACKFPWLU-SANMLTNESA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499529 555432688 /nfs/dbraw/zinc/43/26/88/555432688.db2.gz REVKEPKHQSRINL-MUUNZHRXSA-N 1 1 498.675 5.660 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499586 555432983 /nfs/dbraw/zinc/43/29/83/555432983.db2.gz RFYHCSNPVHPFMY-NDEPHWFRSA-N 1 1 498.675 5.856 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499559 555432989 /nfs/dbraw/zinc/43/29/89/555432989.db2.gz RUVAFQZKKTULRR-RUZDIDTESA-N 1 1 478.685 5.953 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499562 555433049 /nfs/dbraw/zinc/43/30/49/555433049.db2.gz ZRLXLMAMROESQU-DEOSSOPVSA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013499638 555434083 /nfs/dbraw/zinc/43/40/83/555434083.db2.gz BUKMRVFRIMUBJY-SANMLTNESA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500072 555435949 /nfs/dbraw/zinc/43/59/49/555435949.db2.gz OHWSQCSMODGDAO-DEOSSOPVSA-N 1 1 474.609 5.059 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500065 555435995 /nfs/dbraw/zinc/43/59/95/555435995.db2.gz BAAALFQOJCXVNQ-RUZDIDTESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500083 555436427 /nfs/dbraw/zinc/43/64/27/555436427.db2.gz GMUYPWNZLNAASI-HHHXNRCGSA-N 1 1 498.675 5.856 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500077 555436474 /nfs/dbraw/zinc/43/64/74/555436474.db2.gz SMCKRYOEVNADJA-XMMPIXPASA-N 1 1 478.685 5.953 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500121 555436768 /nfs/dbraw/zinc/43/67/68/555436768.db2.gz DTXVIFQGTUNHSU-AREMUKBSSA-N 1 1 484.648 5.547 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500119 555436820 /nfs/dbraw/zinc/43/68/20/555436820.db2.gz YTTAORWICQOCOS-RUZDIDTESA-N 1 1 476.669 6.004 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500113 555436924 /nfs/dbraw/zinc/43/69/24/555436924.db2.gz DJZCDQSUMZSGGP-JOCHJYFZSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500133 555436932 /nfs/dbraw/zinc/43/69/32/555436932.db2.gz ULLGJPASRCRJCR-HSZRJFAPSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500117 555436970 /nfs/dbraw/zinc/43/69/70/555436970.db2.gz CVZUPEHYUAHNGM-XMMPIXPASA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500175 555437189 /nfs/dbraw/zinc/43/71/89/555437189.db2.gz CDRASARZEAXCHK-XMMPIXPASA-N 1 1 480.657 5.344 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500175 555437191 /nfs/dbraw/zinc/43/71/91/555437191.db2.gz CDRASARZEAXCHK-XMMPIXPASA-N 1 1 480.657 5.344 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500164 555437200 /nfs/dbraw/zinc/43/72/00/555437200.db2.gz ZLFHBEYJKTYQAD-VWLOTQADSA-N 1 1 474.609 5.140 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500178 555437232 /nfs/dbraw/zinc/43/72/32/555437232.db2.gz ARYSZQNGNFXGKE-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500178 555437233 /nfs/dbraw/zinc/43/72/33/555437233.db2.gz ARYSZQNGNFXGKE-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500180 555437327 /nfs/dbraw/zinc/43/73/27/555437327.db2.gz SHKBEZQDYOOQSS-SANMLTNESA-N 1 1 492.668 5.705 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500180 555437330 /nfs/dbraw/zinc/43/73/30/555437330.db2.gz SHKBEZQDYOOQSS-SANMLTNESA-N 1 1 492.668 5.705 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500155 555437349 /nfs/dbraw/zinc/43/73/49/555437349.db2.gz NLJLVBGFQNECTJ-RUZDIDTESA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500200 555437622 /nfs/dbraw/zinc/43/76/22/555437622.db2.gz GJNBMPIFAUDYPW-QFIPXVFZSA-N 1 1 494.640 5.065 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500190 555437705 /nfs/dbraw/zinc/43/77/05/555437705.db2.gz HZDBGBZWFUOVGW-VWLOTQADSA-N 1 1 494.684 5.735 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500188 555437890 /nfs/dbraw/zinc/43/78/90/555437890.db2.gz RWFQHDPVVVDDAZ-DEOSSOPVSA-N 1 1 480.657 5.344 40 0 JKABMO Cc1ccccc1CC[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@H](c1nnnn1C1CCCC1)C(C)C ZINC000013500519 555440855 /nfs/dbraw/zinc/44/08/55/555440855.db2.gz AOZZECPTOAKFDB-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccccc1CC[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@H](c1nnnn1C1CCCC1)C(C)C ZINC000013500519 555440857 /nfs/dbraw/zinc/44/08/57/555440857.db2.gz AOZZECPTOAKFDB-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500510 555441022 /nfs/dbraw/zinc/44/10/22/555441022.db2.gz KUEJBXAQRSMZIY-MUUNZHRXSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500510 555441027 /nfs/dbraw/zinc/44/10/27/555441027.db2.gz KUEJBXAQRSMZIY-MUUNZHRXSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500509 555441157 /nfs/dbraw/zinc/44/11/57/555441157.db2.gz KQQLFBBLKZIEKQ-MHZLTWQESA-N 1 1 484.648 5.380 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500509 555441160 /nfs/dbraw/zinc/44/11/60/555441160.db2.gz KQQLFBBLKZIEKQ-MHZLTWQESA-N 1 1 484.648 5.380 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500598 555441792 /nfs/dbraw/zinc/44/17/92/555441792.db2.gz TUFZRCULOBAUAP-AREMUKBSSA-N 1 1 488.636 5.305 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500599 555441900 /nfs/dbraw/zinc/44/19/00/555441900.db2.gz TUFZRCULOBAUAP-SANMLTNESA-N 1 1 488.636 5.305 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500609 555442140 /nfs/dbraw/zinc/44/21/40/555442140.db2.gz HBUNHLXCVCPUDR-SANMLTNESA-N 1 1 470.621 5.013 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500628 555442147 /nfs/dbraw/zinc/44/21/47/555442147.db2.gz YDRDOWAKNFQVEF-RUZDIDTESA-N 1 1 462.642 5.470 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500657 555442591 /nfs/dbraw/zinc/44/25/91/555442591.db2.gz HWKBZLFBJRLXQV-NDEPHWFRSA-N 1 1 498.675 5.598 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500665 555442600 /nfs/dbraw/zinc/44/26/00/555442600.db2.gz WWFACJMEFSRVPV-RUZDIDTESA-N 1 1 478.641 5.170 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500758 555443456 /nfs/dbraw/zinc/44/34/56/555443456.db2.gz UPLSZTFHUBJHGI-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500758 555443459 /nfs/dbraw/zinc/44/34/59/555443459.db2.gz UPLSZTFHUBJHGI-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501070 555447192 /nfs/dbraw/zinc/44/71/92/555447192.db2.gz YSSWZYKJFBYHIL-RUZDIDTESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501070 555447197 /nfs/dbraw/zinc/44/71/97/555447197.db2.gz YSSWZYKJFBYHIL-RUZDIDTESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501069 555447287 /nfs/dbraw/zinc/44/72/87/555447287.db2.gz ZZXDKJQYSOWEGW-DEOSSOPVSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501069 555447289 /nfs/dbraw/zinc/44/72/89/555447289.db2.gz ZZXDKJQYSOWEGW-DEOSSOPVSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501211 555448082 /nfs/dbraw/zinc/44/80/82/555448082.db2.gz CGUZTHHYTDSERG-QHCPKHFHSA-N 1 1 492.624 5.035 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000013501190 555448254 /nfs/dbraw/zinc/44/82/54/555448254.db2.gz SQADVJQOUQXJDT-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO COc1ccc(CN(CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013511584 555483265 /nfs/dbraw/zinc/48/32/65/555483265.db2.gz QMYJRGWDZJUCJC-VPYPWEPUSA-N 1 1 452.639 5.032 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565776 555502835 /nfs/dbraw/zinc/50/28/35/555502835.db2.gz MZHNJHJAOQPHKL-UHFFFAOYSA-N 1 1 468.667 5.258 40 0 JKABMO Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000013616285 555536317 /nfs/dbraw/zinc/53/63/17/555536317.db2.gz OMDOPFWCNBJSMI-PKTZIBPZSA-N 1 1 481.770 6.451 40 0 JKABMO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013709276 555588838 /nfs/dbraw/zinc/58/88/38/555588838.db2.gz MJAHADFNZPSEDH-HSZRJFAPSA-N 1 1 450.582 5.541 40 0 JKABMO C[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013709278 555588871 /nfs/dbraw/zinc/58/88/71/555588871.db2.gz MJAHADFNZPSEDH-QHCPKHFHSA-N 1 1 450.582 5.541 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)C1 ZINC000020106019 555639583 /nfs/dbraw/zinc/63/95/83/555639583.db2.gz VPRBACHVRVQXAN-QFIPXVFZSA-N 1 1 468.641 6.699 40 0 JKABMO O=C(CSCc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238030 555732183 /nfs/dbraw/zinc/73/21/83/555732183.db2.gz NQYWPDQCYCJXEL-UHFFFAOYSA-N 1 1 451.035 5.507 40 0 JKABMO O=C(c1ccc(CSCc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020239012 555733079 /nfs/dbraw/zinc/73/30/79/555733079.db2.gz KGROHWSWBQKCKM-UHFFFAOYSA-N 1 1 492.688 6.667 40 0 JKABMO CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014273634 555773908 /nfs/dbraw/zinc/77/39/08/555773908.db2.gz RTXMSODACPWFGU-UHFFFAOYSA-N 1 1 464.009 5.242 40 0 JKABMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014273621 555773912 /nfs/dbraw/zinc/77/39/12/555773912.db2.gz CIXOVIOADMETPV-UHFFFAOYSA-N 1 1 462.037 6.212 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2Cl)CC1 ZINC000014273657 555774263 /nfs/dbraw/zinc/77/42/63/555774263.db2.gz OBVYTFMJWCUYQF-UHFFFAOYSA-N 1 1 464.780 5.911 40 0 JKABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cccc2ccccc21 ZINC000014277144 555785109 /nfs/dbraw/zinc/78/51/09/555785109.db2.gz AAEARRDUURNZLM-UHFFFAOYSA-N 1 1 498.627 5.428 40 0 JKABMO COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000014291072 555792228 /nfs/dbraw/zinc/79/22/28/555792228.db2.gz IFULUWWTDMWZCH-UHFFFAOYSA-N 1 1 488.813 5.268 40 0 JKABMO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000014399119 555804545 /nfs/dbraw/zinc/80/45/45/555804545.db2.gz OWVJCKGAVILLAR-QFIPXVFZSA-N 1 1 463.021 5.658 40 0 JKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022076333 555871237 /nfs/dbraw/zinc/87/12/37/555871237.db2.gz IMPBGMAGIIDMNE-UHFFFAOYSA-N 1 1 450.760 5.963 40 0 JKABMO CCN(CC)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075521 555871321 /nfs/dbraw/zinc/87/13/21/555871321.db2.gz PQQNQAWCZPOVQM-UHFFFAOYSA-N 1 1 460.243 5.766 40 0 JKABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(OC)c(OC)cc21 ZINC000015150970 555880721 /nfs/dbraw/zinc/88/07/21/555880721.db2.gz FBRKYRSUSJWLHH-QLWBXOBMSA-N 1 1 478.633 5.102 40 0 biogenic,in-vitro JKABMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c2ccccc12 ZINC000015674228 555933315 /nfs/dbraw/zinc/93/33/15/555933315.db2.gz QXAWURFPONFGOX-UTKZUKDTSA-N 1 1 485.462 5.105 40 0 biogenic,in-vitro JKABMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c2ccccc12 ZINC000015674228 555933318 /nfs/dbraw/zinc/93/33/18/555933318.db2.gz QXAWURFPONFGOX-UTKZUKDTSA-N 1 1 485.462 5.105 40 0 biogenic,in-vitro JKABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674286 555933350 /nfs/dbraw/zinc/93/33/50/555933350.db2.gz IYYKLIPGROAYDW-KNQAVFIVSA-N 1 1 482.462 5.005 40 0 biogenic,in-vitro JKABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674286 555933353 /nfs/dbraw/zinc/93/33/53/555933353.db2.gz IYYKLIPGROAYDW-KNQAVFIVSA-N 1 1 482.462 5.005 40 0 biogenic,in-vitro JKABMO C=COCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022581119 555939929 /nfs/dbraw/zinc/93/99/29/555939929.db2.gz KVFPQYPJYZBMDS-UHFFFAOYSA-N 1 1 463.569 5.476 40 0 JKABMO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000022750224 555952336 /nfs/dbraw/zinc/95/23/36/555952336.db2.gz RAMQPCSBCZFYRU-QFIPXVFZSA-N 1 1 492.063 6.193 40 0 JKABMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000022918352 555971859 /nfs/dbraw/zinc/97/18/59/555971859.db2.gz ZGYQVMZTTCMRKW-KCPQVGNHSA-N 1 1 497.470 5.364 40 0 JKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000012494430 555990311 /nfs/dbraw/zinc/99/03/11/555990311.db2.gz WGBAOHIEBXQJGQ-YQQQUEKLSA-N 1 1 451.920 6.066 40 0 JKABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c1C ZINC000023292203 556038371 /nfs/dbraw/zinc/03/83/71/556038371.db2.gz RCIMKKUMMKTBET-HSZRJFAPSA-N 1 1 454.039 5.607 40 0 JKABMO CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@@H+]1CC ZINC000012635587 556094316 /nfs/dbraw/zinc/09/43/16/556094316.db2.gz WOIZXHARACAJMI-XMMPIXPASA-N 1 1 476.690 5.391 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCC[N@H+]3CC)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000012708934 556104182 /nfs/dbraw/zinc/10/41/82/556104182.db2.gz ZAZKKDHVSGBQCP-JOCHJYFZSA-N 1 1 483.012 5.099 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016000949 556105662 /nfs/dbraw/zinc/10/56/62/556105662.db2.gz GEQAKVQGBSMXMJ-DOIPELPJSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016000949 556105664 /nfs/dbraw/zinc/10/56/64/556105664.db2.gz GEQAKVQGBSMXMJ-DOIPELPJSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016768300 556158502 /nfs/dbraw/zinc/15/85/02/556158502.db2.gz LJRUECXMCVZLMG-UHFFFAOYSA-N 1 1 452.989 7.156 40 0 JKABMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000012959263 556162568 /nfs/dbraw/zinc/16/25/68/556162568.db2.gz TXVNNFDXQZFMBQ-UZIKMYSZSA-N 1 1 464.993 5.915 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000013034035 556232118 /nfs/dbraw/zinc/23/21/18/556232118.db2.gz IUSPECDWOYMGEB-RUZDIDTESA-N 1 1 462.642 5.478 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000013033983 556232163 /nfs/dbraw/zinc/23/21/63/556232163.db2.gz BJQVYKMJNQMAQJ-QHCPKHFHSA-N 1 1 450.631 5.118 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000013033981 556232209 /nfs/dbraw/zinc/23/22/09/556232209.db2.gz BJQVYKMJNQMAQJ-HSZRJFAPSA-N 1 1 450.631 5.118 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000013063662 556260824 /nfs/dbraw/zinc/26/08/24/556260824.db2.gz HYVTVCFYYJFWRV-AREMUKBSSA-N 1 1 476.669 5.868 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063976 556261642 /nfs/dbraw/zinc/26/16/42/556261642.db2.gz VQIXMRAHPDLSRR-MHZLTWQESA-N 1 1 484.648 5.352 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064649 556262240 /nfs/dbraw/zinc/26/22/40/556262240.db2.gz SRENEUMAFPSUGO-SANMLTNESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064649 556262241 /nfs/dbraw/zinc/26/22/41/556262241.db2.gz SRENEUMAFPSUGO-SANMLTNESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064647 556262255 /nfs/dbraw/zinc/26/22/55/556262255.db2.gz FOJSPEQPQMDTHB-MHZLTWQESA-N 1 1 484.648 5.466 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064593 556262265 /nfs/dbraw/zinc/26/22/65/556262265.db2.gz DONVLAFTYGMZPC-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000026781425 556262501 /nfs/dbraw/zinc/26/25/01/556262501.db2.gz ZCLCFQGKMMOAAQ-XLQDAESGSA-N 1 1 464.694 5.376 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064699 556262695 /nfs/dbraw/zinc/26/26/95/556262695.db2.gz JHODLFBGIPOEKN-SANMLTNESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064699 556262699 /nfs/dbraw/zinc/26/26/99/556262699.db2.gz JHODLFBGIPOEKN-SANMLTNESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064805 556262914 /nfs/dbraw/zinc/26/29/14/556262914.db2.gz CWFDLWOYDJOKCW-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064805 556262916 /nfs/dbraw/zinc/26/29/16/556262916.db2.gz CWFDLWOYDJOKCW-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065147 556263677 /nfs/dbraw/zinc/26/36/77/556263677.db2.gz UQMJLWGDKIFMAT-SANMLTNESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065147 556263679 /nfs/dbraw/zinc/26/36/79/556263679.db2.gz UQMJLWGDKIFMAT-SANMLTNESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065068 556263812 /nfs/dbraw/zinc/26/38/12/556263812.db2.gz OGWPLANFLBSNBT-RUZDIDTESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065068 556263814 /nfs/dbraw/zinc/26/38/14/556263814.db2.gz OGWPLANFLBSNBT-RUZDIDTESA-N 1 1 470.621 5.076 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026920355 556266207 /nfs/dbraw/zinc/26/62/07/556266207.db2.gz CEMSFMQVNAQHFL-UWHLTILDSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026920355 556266209 /nfs/dbraw/zinc/26/62/09/556266209.db2.gz CEMSFMQVNAQHFL-UWHLTILDSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCC(C)CC3)no2)cc1 ZINC000028296155 556330467 /nfs/dbraw/zinc/33/04/67/556330467.db2.gz PPBOCDNPBUZFRM-HSZRJFAPSA-N 1 1 451.567 5.172 40 0 JKABMO CC[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000030868219 556384074 /nfs/dbraw/zinc/38/40/74/556384074.db2.gz MCVBCFZLJCGYPL-NDEPHWFRSA-N 1 1 464.609 5.931 40 0 JKABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000030868212 556384153 /nfs/dbraw/zinc/38/41/53/556384153.db2.gz MCVBCFZLJCGYPL-MUUNZHRXSA-N 1 1 464.609 5.931 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944173 556389135 /nfs/dbraw/zinc/38/91/35/556389135.db2.gz BLOGMKXNBNISKZ-QFIPXVFZSA-N 1 1 453.413 6.111 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944173 556389139 /nfs/dbraw/zinc/38/91/39/556389139.db2.gz BLOGMKXNBNISKZ-QFIPXVFZSA-N 1 1 453.413 6.111 40 0 JKABMO COc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C/C=C\c2ccc(Cl)cc2)cc1 ZINC000031261918 556395081 /nfs/dbraw/zinc/39/50/81/556395081.db2.gz RUAOVVIUGUOYHA-WAYWQWQTSA-N 1 1 456.995 5.295 40 0 JKABMO COc1ccc2c(c1OC)/C(=C\c1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000031649333 556400915 /nfs/dbraw/zinc/40/09/15/556400915.db2.gz WZFFWDNRLXHYID-XJKNEGERSA-N 1 1 487.552 5.240 40 0 JKABMO COc1ccc2c(c1OC)/C(=C\c1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000031649333 556400919 /nfs/dbraw/zinc/40/09/19/556400919.db2.gz WZFFWDNRLXHYID-XJKNEGERSA-N 1 1 487.552 5.240 40 0 JKABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1CC1=NCCc2cc(OC)c(OC)cc21 ZINC000095099391 560062513 /nfs/dbraw/zinc/06/25/13/560062513.db2.gz FBRKYRSUSJWLHH-IOZGHAEBSA-N 1 1 478.633 5.102 40 0 biogenic,in-vitro JKABMO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c2ccccc21 ZINC000035425536 560080676 /nfs/dbraw/zinc/08/06/76/560080676.db2.gz WSDLNFRBHQMPKB-DEOSSOPVSA-N 1 1 457.578 5.672 40 0 biogenic,in-vitro JKABMO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccncc2)CC1 ZINC000054281433 569589809 /nfs/dbraw/zinc/58/98/09/569589809.db2.gz ZQTJDFBJVRUZFS-XMMPIXPASA-N 1 1 477.630 5.377 40 0 JKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)CC1 ZINC000057312977 569596437 /nfs/dbraw/zinc/59/64/37/569596437.db2.gz DRDDNHGASMKYNL-WYMLVPIESA-N 1 1 495.048 5.268 40 0 JKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000057335684 569598999 /nfs/dbraw/zinc/59/89/99/569598999.db2.gz UDBMRLKMZGFTGL-UHFFFAOYSA-N 1 1 480.834 5.041 40 0 JKABMO COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059559206 569606867 /nfs/dbraw/zinc/60/68/67/569606867.db2.gz LGGJFSZQQWZKHE-UHFFFAOYSA-N 1 1 486.015 6.076 40 0 JKABMO Fc1cccc(COc2ccc(Br)cc2C(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000033741014 569633104 /nfs/dbraw/zinc/63/31/04/569633104.db2.gz KBSAWQMWBNYKED-UHFFFAOYSA-N 1 1 499.449 5.661 40 0 JKABMO S=C(c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033745286 569633338 /nfs/dbraw/zinc/63/33/38/569633338.db2.gz PXWFSGYYJBJKNG-UHFFFAOYSA-N 1 1 471.453 6.066 40 0 JKABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035031500 569673872 /nfs/dbraw/zinc/67/38/72/569673872.db2.gz MYBALPAZTSJIAM-BSULFMODSA-N 1 1 464.694 5.232 40 0 JKABMO Cc1ccc(COc2c(Cl)cc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Cl)cc1 ZINC000035147845 569676084 /nfs/dbraw/zinc/67/60/84/569676084.db2.gz WOKTYRFEGFYSBD-UHFFFAOYSA-N 1 1 485.480 6.374 40 0 JKABMO COc1ccc(/C=C\C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000065748888 569676618 /nfs/dbraw/zinc/67/66/18/569676618.db2.gz CELDOXOGIZIYPY-ARJAWSKDSA-N 1 1 464.556 5.402 40 0 in-vitro JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 ZINC000035242533 569678848 /nfs/dbraw/zinc/67/88/48/569678848.db2.gz HXCBFWNYNMFQQQ-UHFFFAOYSA-N 1 1 496.676 6.311 40 0 JKABMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000035316492 569680703 /nfs/dbraw/zinc/68/07/03/569680703.db2.gz XNSULRDAZVJFJG-ZOIGGPQSSA-N 1 1 496.482 6.991 40 0 JKABMO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc12 ZINC000035533866 569701252 /nfs/dbraw/zinc/70/12/52/569701252.db2.gz ZFXNRXZQMQUIMC-UHFFFAOYSA-N 1 1 455.389 5.608 40 0 JKABMO COC(=O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)CC(c1ccccc1)c1ccccc1 ZINC000035572472 569704937 /nfs/dbraw/zinc/70/49/37/569704937.db2.gz UKKVYYMFBHQTKV-UHFFFAOYSA-N 1 1 465.593 6.073 40 0 JKABMO COC(=O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)CC(c1ccccc1)c1ccccc1 ZINC000035572472 569704938 /nfs/dbraw/zinc/70/49/38/569704938.db2.gz UKKVYYMFBHQTKV-UHFFFAOYSA-N 1 1 465.593 6.073 40 0 JKABMO CCCCc1[nH+]cc(/C=C(\Cc2cccs2)C(=O)OCC)n1Cc1ccc(C(=O)OC)cc1 ZINC000077292136 569705581 /nfs/dbraw/zinc/70/55/81/569705581.db2.gz DRNXMWWTAZQPCI-RCCKNPSSSA-N 1 1 466.603 5.311 40 0 in-vitro JKABMO Cc1cccc(NC(=O)OCC[NH+](CCOC(=O)Nc2cccc(C)c2)Cc2ccccc2)c1 ZINC000090636114 569721136 /nfs/dbraw/zinc/72/11/36/569721136.db2.gz HMDARVHWGHINSZ-UHFFFAOYSA-N 1 1 461.562 5.603 40 0 JKABMO CC[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](Oc1nnc(OC)c2ccccc21)c1ccnc2ccc(OC)cc21 ZINC000096125876 569736296 /nfs/dbraw/zinc/73/62/96/569736296.db2.gz QYAGUVQGBVMPOM-ONJWKIPFSA-N 1 1 484.600 5.436 40 0 JKABMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100155304 569754198 /nfs/dbraw/zinc/75/41/98/569754198.db2.gz IYNMXBSBEXKXJZ-SFHVURJKSA-N 1 1 460.386 5.115 40 0 JKABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000036628481 569779005 /nfs/dbraw/zinc/77/90/05/569779005.db2.gz FCYYSRFOLRZFTN-UHFFFAOYSA-N 1 1 489.579 5.059 40 0 JKABMO O=C(c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000036628129 569779038 /nfs/dbraw/zinc/77/90/38/569779038.db2.gz BWPFPTCFJCYGOO-UHFFFAOYSA-N 1 1 477.543 5.189 40 0 JKABMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036628337 569779058 /nfs/dbraw/zinc/77/90/58/569779058.db2.gz XQKBWVRCHKOSPD-UHFFFAOYSA-N 1 1 491.570 5.497 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834826 569808772 /nfs/dbraw/zinc/80/87/72/569808772.db2.gz JBYPQWOVUOCMLY-AWEZNQCLSA-N 1 1 489.184 5.449 40 0 JKABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101360966 569794331 /nfs/dbraw/zinc/79/43/31/569794331.db2.gz FVNNIZBJYDGJKY-BURNTYAHSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101360966 569794333 /nfs/dbraw/zinc/79/43/33/569794333.db2.gz FVNNIZBJYDGJKY-BURNTYAHSA-N 1 1 469.368 5.124 40 0 JKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834408 569808729 /nfs/dbraw/zinc/80/87/29/569808729.db2.gz GXYOFKXPNDJCMT-SFHVURJKSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834408 569808730 /nfs/dbraw/zinc/80/87/30/569808730.db2.gz GXYOFKXPNDJCMT-SFHVURJKSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834826 569808770 /nfs/dbraw/zinc/80/87/70/569808770.db2.gz JBYPQWOVUOCMLY-AWEZNQCLSA-N 1 1 489.184 5.449 40 0 JKABMO C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000038855984 569809026 /nfs/dbraw/zinc/80/90/26/569809026.db2.gz SUAYVLNUIQOSDK-YADHBBJMSA-N 1 1 455.602 5.662 40 0 JKABMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039748146 569811212 /nfs/dbraw/zinc/81/12/12/569811212.db2.gz QRCWPNNMJRDVKC-UHFFFAOYSA-N 1 1 483.937 5.059 40 0 JKABMO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OCC ZINC000039760922 569811595 /nfs/dbraw/zinc/81/15/95/569811595.db2.gz ZIHYJQGOSQPKHR-QGZVFWFLSA-N 1 1 462.993 5.366 40 0 JKABMO Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039761657 569811615 /nfs/dbraw/zinc/81/16/15/569811615.db2.gz CEWPPCRNTDQVHG-UHFFFAOYSA-N 1 1 483.052 6.931 40 0 JKABMO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000044874283 569839680 /nfs/dbraw/zinc/83/96/80/569839680.db2.gz UIVPDWAUCLIRER-UHFFFAOYSA-N 1 1 498.048 5.057 40 0 JKABMO Fc1ccccc1COc1c(Cl)cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000108970776 569860039 /nfs/dbraw/zinc/86/00/39/569860039.db2.gz QTUVLVUIWYGWQQ-UHFFFAOYSA-N 1 1 489.443 6.205 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)cc2)C1 ZINC000216360026 569878464 /nfs/dbraw/zinc/87/84/64/569878464.db2.gz RCGHYTAGNCWFKJ-IBGZPJMESA-N 1 1 498.048 5.625 40 0 JKABMO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C(C)C ZINC000223269434 569905528 /nfs/dbraw/zinc/90/55/28/569905528.db2.gz UXDPZKWKJVNVEN-QFIPXVFZSA-N 1 1 456.630 6.176 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C(C)C ZINC000223349540 569908223 /nfs/dbraw/zinc/90/82/23/569908223.db2.gz VMRYAQPFCMRRHJ-GOSISDBHSA-N 1 1 477.476 6.523 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C(C)C ZINC000223349678 569908228 /nfs/dbraw/zinc/90/82/28/569908228.db2.gz BDBUOWCKRYHVJS-GOSISDBHSA-N 1 1 477.476 6.523 40 0 JKABMO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C(C)C ZINC000223349871 569908238 /nfs/dbraw/zinc/90/82/38/569908238.db2.gz SVJIMUHXHSJYPE-SFHVURJKSA-N 1 1 477.476 6.523 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000223369883 569909132 /nfs/dbraw/zinc/90/91/32/569909132.db2.gz YLWNUXKADNEKFS-UHFFFAOYSA-N 1 1 493.485 5.988 40 0 JKABMO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C(C)C ZINC000223389648 569909600 /nfs/dbraw/zinc/90/96/00/569909600.db2.gz OQMWURBFYPFFQE-SFHVURJKSA-N 1 1 461.021 6.009 40 0 JKABMO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000223625761 569918244 /nfs/dbraw/zinc/91/82/44/569918244.db2.gz DHCOHLRJYJNIDY-UHFFFAOYSA-N 1 1 457.401 5.554 40 0 JKABMO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000223626024 569918273 /nfs/dbraw/zinc/91/82/73/569918273.db2.gz ZUHKAFFGCYEMLD-UHFFFAOYSA-N 1 1 467.407 5.010 40 0 JKABMO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 ZINC000223682531 569919856 /nfs/dbraw/zinc/91/98/56/569919856.db2.gz CPUHPKNYEXRCEK-QHCPKHFHSA-N 1 1 475.460 6.404 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000224010228 569930353 /nfs/dbraw/zinc/93/03/53/569930353.db2.gz AHGYKWWGTWZFDP-UHFFFAOYSA-N 1 1 472.639 5.641 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224185090 569935619 /nfs/dbraw/zinc/93/56/19/569935619.db2.gz BXHLHFNGOVEKKK-UHFFFAOYSA-N 1 1 472.629 5.530 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cc(C)cc(C)c1C ZINC000224281252 569939149 /nfs/dbraw/zinc/93/91/49/569939149.db2.gz LQWVIFZVFKKAAH-UHFFFAOYSA-N 1 1 458.602 5.157 40 0 JKABMO CCCOCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000224417395 569943975 /nfs/dbraw/zinc/94/39/75/569943975.db2.gz COPQUTNJCNSNIB-UHFFFAOYSA-N 1 1 458.602 5.169 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc(Cl)c1 ZINC000224492256 569946140 /nfs/dbraw/zinc/94/61/40/569946140.db2.gz FUKJHSWMWQBMNF-UHFFFAOYSA-N 1 1 464.993 5.276 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224525092 569947173 /nfs/dbraw/zinc/94/71/73/569947173.db2.gz BGIHFODEXRLBKU-UHFFFAOYSA-N 1 1 486.656 5.920 40 0 JKABMO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000224541684 569947746 /nfs/dbraw/zinc/94/77/46/569947746.db2.gz WLDVBTAFZQEUTD-UHFFFAOYSA-N 1 1 463.449 5.698 40 0 JKABMO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000224548112 569947961 /nfs/dbraw/zinc/94/79/61/569947961.db2.gz RPFKBEFDNPGOGQ-UHFFFAOYSA-N 1 1 473.455 5.154 40 0 JKABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000224706435 569954308 /nfs/dbraw/zinc/95/43/08/569954308.db2.gz GJINHBAQVOOZIL-UHFFFAOYSA-N 1 1 467.034 5.395 40 0 JKABMO CC(C)n1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4c(Cl)cccc4Cl)CC3)ccc21 ZINC000225166302 569979598 /nfs/dbraw/zinc/97/95/98/569979598.db2.gz NCSJLNPQBDPBFB-UHFFFAOYSA-N 1 1 478.445 5.801 40 0 JKABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225209478 569982550 /nfs/dbraw/zinc/98/25/50/569982550.db2.gz BBOADEWSWJTKMM-UHFFFAOYSA-N 1 1 465.381 5.502 40 0 JKABMO Cc1cc(Br)cc(C)c1NC(=S)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225223541 569983684 /nfs/dbraw/zinc/98/36/84/569983684.db2.gz RPLAOPPKQDRGMN-UHFFFAOYSA-N 1 1 463.832 5.666 40 0 JKABMO COC(=O)c1cc2cc(NC(=S)NCCCNc3cc[nH+]c4cc(Cl)ccc34)ccc2s1 ZINC000225231402 569984382 /nfs/dbraw/zinc/98/43/82/569984382.db2.gz ROJZGCXTVHMKJW-UHFFFAOYSA-N 1 1 485.034 5.678 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225231322 569984475 /nfs/dbraw/zinc/98/44/75/569984475.db2.gz ACNJKVXYBZKUBV-UHFFFAOYSA-N 1 1 493.485 5.988 40 0 JKABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225343806 569991721 /nfs/dbraw/zinc/99/17/21/569991721.db2.gz RMOQLKKICNCEJH-LJAQVGFWSA-N 1 1 468.641 5.657 40 0 JKABMO O=C(CCc1c(Cl)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225351296 569992264 /nfs/dbraw/zinc/99/22/64/569992264.db2.gz IKOCZIDGOBIIOC-UHFFFAOYSA-N 1 1 453.413 5.860 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)cc2)C1 ZINC000225529516 570002880 /nfs/dbraw/zinc/00/28/80/570002880.db2.gz ITROJRLYUVYLAP-HXUWFJFHSA-N 1 1 489.487 6.945 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548594 570004745 /nfs/dbraw/zinc/00/47/45/570004745.db2.gz PVUVHRQGXYWWLX-QFIPXVFZSA-N 1 1 452.614 6.310 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548560 570004804 /nfs/dbraw/zinc/00/48/04/570004804.db2.gz PVUVHRQGXYWWLX-JOCHJYFZSA-N 1 1 452.614 6.310 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225550942 570004929 /nfs/dbraw/zinc/00/49/29/570004929.db2.gz OAJNITMLEYVVNM-NRFANRHFSA-N 1 1 455.042 6.434 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225551435 570005046 /nfs/dbraw/zinc/00/50/46/570005046.db2.gz VSYWOMYMCQTMQR-JOCHJYFZSA-N 1 1 469.069 6.824 40 0 JKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCOCC2)cc1 ZINC000225569433 570006475 /nfs/dbraw/zinc/00/64/75/570006475.db2.gz WWCWQBFQJCYLKK-HSZRJFAPSA-N 1 1 450.623 5.183 40 0 JKABMO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 ZINC000225573631 570006782 /nfs/dbraw/zinc/00/67/82/570006782.db2.gz UMRMKGGEDHEHRJ-QHCPKHFHSA-N 1 1 459.005 5.890 40 0 JKABMO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576367 570006864 /nfs/dbraw/zinc/00/68/64/570006864.db2.gz BISWFUCXSAZUSW-UHFFFAOYSA-N 1 1 455.426 5.394 40 0 JKABMO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577962 570006963 /nfs/dbraw/zinc/00/69/63/570006963.db2.gz QBMVYAFQPGYGOW-UHFFFAOYSA-N 1 1 452.957 5.909 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2)C1 ZINC000225577154 570007038 /nfs/dbraw/zinc/00/70/38/570007038.db2.gz ZHGGVIYOBVYZAL-HXUWFJFHSA-N 1 1 457.014 5.138 40 0 JKABMO O=C(NCCSCc1c(F)cccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578802 570007102 /nfs/dbraw/zinc/00/71/02/570007102.db2.gz ZVNHFOLPXJCLKC-UHFFFAOYSA-N 1 1 473.416 5.533 40 0 JKABMO O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579344 570007108 /nfs/dbraw/zinc/00/71/08/570007108.db2.gz HBMSLNBPWDIGHL-UHFFFAOYSA-N 1 1 494.010 5.302 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 ZINC000225582228 570007419 /nfs/dbraw/zinc/00/74/19/570007419.db2.gz KKKOQBBNVFMWHP-IBGZPJMESA-N 1 1 491.459 5.934 40 0 JKABMO Cc1ccccc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225583666 570007521 /nfs/dbraw/zinc/00/75/21/570007521.db2.gz ICCZVQNHYFKNHC-AREMUKBSSA-N 1 1 450.985 5.905 40 0 JKABMO Cc1ccc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c2ccccc2)cc1 ZINC000225583729 570007574 /nfs/dbraw/zinc/00/75/74/570007574.db2.gz JKXSFFDHOYMKHY-AREMUKBSSA-N 1 1 450.985 5.905 40 0 JKABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225587460 570007886 /nfs/dbraw/zinc/00/78/86/570007886.db2.gz UTFUHMGMSPDHMB-JOCHJYFZSA-N 1 1 460.977 5.118 40 0 JKABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000225730295 570018380 /nfs/dbraw/zinc/01/83/80/570018380.db2.gz FZQMESDUKQLBID-OYRHEFFESA-N 1 1 465.707 5.870 40 0 JKABMO O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225809188 570022853 /nfs/dbraw/zinc/02/28/53/570022853.db2.gz XLCRGXMCDAYCSA-UHFFFAOYSA-N 1 1 487.003 5.256 40 0 JKABMO O=C(CCc1nc(-c2ccccc2Cl)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225811380 570023019 /nfs/dbraw/zinc/02/30/19/570023019.db2.gz BDYRXQROVVZRGX-UHFFFAOYSA-N 1 1 487.003 5.256 40 0 JKABMO COc1ccc2nc(C)c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000408713768 570025611 /nfs/dbraw/zinc/02/56/11/570025611.db2.gz UTMGGKKJRDPLCF-UHFFFAOYSA-N 1 1 451.570 5.099 40 0 JKABMO O=C(NCCCNc1ccnc2cc(Cl)ccc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905110 570026758 /nfs/dbraw/zinc/02/67/58/570026758.db2.gz BPQFDDWOHNRUGN-IBGZPJMESA-N 1 1 471.432 5.372 40 0 JKABMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCc2cc(Br)ccc21 ZINC000225906747 570026915 /nfs/dbraw/zinc/02/69/15/570026915.db2.gz CCBQJRVJQCBTAR-MRXNPFEDSA-N 1 1 468.222 5.557 40 0 JKABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCc2cc(Br)ccc21 ZINC000225906747 570026916 /nfs/dbraw/zinc/02/69/16/570026916.db2.gz CCBQJRVJQCBTAR-MRXNPFEDSA-N 1 1 468.222 5.557 40 0 JKABMO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1)N1CCCC1 ZINC000225907479 570026962 /nfs/dbraw/zinc/02/69/62/570026962.db2.gz OSACFPYLRHTFSW-FQEVSTJZSA-N 1 1 474.432 5.009 40 0 JKABMO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1)N1CCCC1 ZINC000225907479 570026964 /nfs/dbraw/zinc/02/69/64/570026964.db2.gz OSACFPYLRHTFSW-FQEVSTJZSA-N 1 1 474.432 5.009 40 0 JKABMO CCOC(=O)C1(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4c(Cl)cccc4Cl)C3)cc2)CC1 ZINC000225910613 570027205 /nfs/dbraw/zinc/02/72/05/570027205.db2.gz AIZACLCJRGWURI-QGZVFWFLSA-N 1 1 475.416 5.439 40 0 JKABMO 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O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)no1 ZINC000257220206 570114152 /nfs/dbraw/zinc/11/41/52/570114152.db2.gz DKACTNMSSVTAMN-DEOSSOPVSA-N 1 1 457.618 5.749 40 0 JKABMO CCc1nccn1CCOc1cccc(C[N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000257229040 570116678 /nfs/dbraw/zinc/11/66/78/570116678.db2.gz FWLZEGWVOCQJHD-MUUNZHRXSA-N 1 1 498.067 5.201 40 0 JKABMO Cc1ncsc1-c1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)cn1 ZINC000257234347 570118244 /nfs/dbraw/zinc/11/82/44/570118244.db2.gz GTCQRGXBRWOODW-CPIYQPHESA-N 1 1 472.658 5.212 40 0 JKABMO COCC(=O)N1CCC2(C[N@@H+](Cc3cccc(-c4ccccc4OC)c3)C[C@H]2c2ccccc2)CC1 ZINC000257258694 570125852 /nfs/dbraw/zinc/12/58/52/570125852.db2.gz KVCMWZWTKGUMTM-NDEPHWFRSA-N 1 1 484.640 5.217 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2nccnc2Oc2cccc(C)c2)C1 ZINC000257267101 570128717 /nfs/dbraw/zinc/12/87/17/570128717.db2.gz MFZLTDMMCKATIS-HSZRJFAPSA-N 1 1 467.573 5.150 40 0 JKABMO 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Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(C)c4)n3)C2)c1 ZINC000257314582 570142823 /nfs/dbraw/zinc/14/28/23/570142823.db2.gz UXPHGMFFECRMJS-XMMPIXPASA-N 1 1 467.573 5.150 40 0 JKABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000257320668 570144661 /nfs/dbraw/zinc/14/46/61/570144661.db2.gz VXWNUISCJZSGHN-MJLPRTPSSA-N 1 1 470.613 5.728 40 0 JKABMO O=C1CCCC[C@H]2[C@@H](C[C@H](Cc3ccc(F)cc3)[N@@H+]2Cc2ccccc2OCc2cccnc2)N1 ZINC000257334282 570148835 /nfs/dbraw/zinc/14/88/35/570148835.db2.gz YFGMOXBBTGBTDU-VJGNERBWSA-N 1 1 473.592 5.044 40 0 JKABMO C[N@@H+](Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257335845 570149267 /nfs/dbraw/zinc/14/92/67/570149267.db2.gz YMCOVFAFTUGNSO-MUPNOLHXSA-N 1 1 483.612 5.238 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000257339796 570150351 /nfs/dbraw/zinc/15/03/51/570150351.db2.gz ZDFJNLGLGPFEIJ-QHCPKHFHSA-N 1 1 467.573 5.150 40 0 JKABMO 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O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000408562842 570201967 /nfs/dbraw/zinc/20/19/67/570201967.db2.gz FQUWXHYPRFSVJN-UHFFFAOYSA-N 1 1 480.995 6.382 40 0 JKABMO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021298652 195293261 /nfs/dbraw/zinc/29/32/61/195293261.db2.gz GWNVXBULGPATSR-UHFFFAOYSA-N 1 1 451.570 5.208 40 0 JKABMO COc1cc2c(cc1OC)C[N@H+](Cc1cc3sccc3n1Cc1cccc3ccccc31)CC2 ZINC000057719694 195358239 /nfs/dbraw/zinc/35/82/39/195358239.db2.gz QBRNVKKITLISMF-UHFFFAOYSA-N 1 1 468.622 6.480 40 0 JKABMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3sccc3n1Cc1cccc3ccccc31)CC2 ZINC000057719694 195358242 /nfs/dbraw/zinc/35/82/42/195358242.db2.gz QBRNVKKITLISMF-UHFFFAOYSA-N 1 1 468.622 6.480 40 0 JKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccccc1Cl ZINC000016688677 520723958 /nfs/dbraw/zinc/72/39/58/520723958.db2.gz OWGSTRRNEMIWMR-UHFFFAOYSA-N 1 1 461.787 5.765 40 0 JKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688451 520724310 /nfs/dbraw/zinc/72/43/10/520724310.db2.gz AGIVTQMFFHHAHB-UHFFFAOYSA-N 1 1 461.787 5.765 40 0 JKABMO CCCCOCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022587250 520762040 /nfs/dbraw/zinc/76/20/40/520762040.db2.gz RBGWGBNXDVYXNU-UHFFFAOYSA-N 1 1 493.639 6.133 40 0 JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc2)C1 ZINC000020459498 524091461 /nfs/dbraw/zinc/09/14/61/524091461.db2.gz DOGKHGIWAOBWFA-IBGZPJMESA-N 1 1 498.048 5.625 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)C1 ZINC000020456840 524232182 /nfs/dbraw/zinc/23/21/82/524232182.db2.gz MCYNKUWCMFMAIZ-LJQANCHMSA-N 1 1 481.593 5.111 40 0 JKABMO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)c(C)c1 ZINC000020483409 525301897 /nfs/dbraw/zinc/30/18/97/525301897.db2.gz SHEOJPQLRYWAJI-OAQYLSRUSA-N 1 1 491.657 5.588 40 0 JKABMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016449705 526951421 /nfs/dbraw/zinc/95/14/21/526951421.db2.gz 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5.137 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001327069 553942498 /nfs/dbraw/zinc/94/24/98/553942498.db2.gz VSSLLLWJMWCAQP-JOCHJYFZSA-N 1 1 467.013 5.317 40 0 JKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001335320 553949853 /nfs/dbraw/zinc/94/98/53/553949853.db2.gz BOGCNNNWUXETNG-UHFFFAOYSA-N 1 1 457.599 5.693 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001353313 553956458 /nfs/dbraw/zinc/95/64/58/553956458.db2.gz UGCPHXSQONOLEH-FQEVSTJZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001371586 553961759 /nfs/dbraw/zinc/96/17/59/553961759.db2.gz UCIUBVFFDPPUGS-QHCPKHFHSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001371588 553961808 /nfs/dbraw/zinc/96/18/08/553961808.db2.gz UCIUBVFFDPPUGS-HSZRJFAPSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374198 553962724 /nfs/dbraw/zinc/96/27/24/553962724.db2.gz MDZCAUWGRQHNDK-MUUNZHRXSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374198 553962727 /nfs/dbraw/zinc/96/27/27/553962727.db2.gz MDZCAUWGRQHNDK-MUUNZHRXSA-N 1 1 492.627 5.067 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001378296 553965121 /nfs/dbraw/zinc/96/51/21/553965121.db2.gz QZPHRQURPVBHEB-HXUWFJFHSA-N 1 1 452.986 5.008 40 0 JKABMO O=C(N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000002136983 554062428 /nfs/dbraw/zinc/06/24/28/554062428.db2.gz NHOWDDFUHDJVCH-QBIMZIAESA-N 1 1 498.676 5.156 40 0 JKABMO CCc1cc([C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551870 554235715 /nfs/dbraw/zinc/23/57/15/554235715.db2.gz NPVKEEWPSFXOCP-JOCHJYFZSA-N 1 1 469.448 6.511 40 0 JKABMO O=S(=O)(C[n+]1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000002690438 554285615 /nfs/dbraw/zinc/28/56/15/554285615.db2.gz BBWUJQACPASNQN-UHFFFAOYSA-O 1 1 487.424 5.035 40 0 JKABMO CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000006135906 554507882 /nfs/dbraw/zinc/50/78/82/554507882.db2.gz QIDDVIIQYDDLQP-JWQCQUIFSA-N 1 1 490.394 5.864 40 0 JKABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198178 554519415 /nfs/dbraw/zinc/51/94/15/554519415.db2.gz PNVUNFOWQRZLQB-HHHXNRCGSA-N 1 1 498.675 5.266 40 0 JKABMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000006245655 554521999 /nfs/dbraw/zinc/52/19/99/554521999.db2.gz AZCDAQBJDKRFIL-CLJLJLNGSA-N 1 1 469.976 5.519 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300691 554529513 /nfs/dbraw/zinc/52/95/13/554529513.db2.gz HZHUFPMREIOKEI-SANMLTNESA-N 1 1 488.680 5.772 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300691 554529516 /nfs/dbraw/zinc/52/95/16/554529516.db2.gz HZHUFPMREIOKEI-SANMLTNESA-N 1 1 488.680 5.772 40 0 JKABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301558 554530080 /nfs/dbraw/zinc/53/00/80/554530080.db2.gz NUSOMBXSFBPSQH-QHCPKHFHSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301558 554530084 /nfs/dbraw/zinc/53/00/84/554530084.db2.gz NUSOMBXSFBPSQH-QHCPKHFHSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301793 554530245 /nfs/dbraw/zinc/53/02/45/554530245.db2.gz AKYJDASJCBYEJC-RUZDIDTESA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006301793 554530248 /nfs/dbraw/zinc/53/02/48/554530248.db2.gz AKYJDASJCBYEJC-RUZDIDTESA-N 1 1 474.653 5.382 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006409827 554535053 /nfs/dbraw/zinc/53/50/53/554535053.db2.gz CDLKXXULDMVCFV-DEOSSOPVSA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006409827 554535056 /nfs/dbraw/zinc/53/50/56/554535056.db2.gz CDLKXXULDMVCFV-DEOSSOPVSA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442591 554536793 /nfs/dbraw/zinc/53/67/93/554536793.db2.gz WXRLSHJFOCAWKW-HHHXNRCGSA-N 1 1 496.659 5.315 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442591 554536794 /nfs/dbraw/zinc/53/67/94/554536794.db2.gz WXRLSHJFOCAWKW-HHHXNRCGSA-N 1 1 496.659 5.315 40 0 JKABMO COc1ccc(CN(CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000008398718 554573769 /nfs/dbraw/zinc/57/37/69/554573769.db2.gz QMYJRGWDZJUCJC-XJGOYTCSSA-N 1 1 452.639 5.032 40 0 JKABMO COc1ccc(CC[N@@H+](C)Cc2cc(OCc3ccccc3)c(OC)cc2Br)cc1 ZINC000008815701 554697156 /nfs/dbraw/zinc/69/71/56/554697156.db2.gz KCTBMXDWIQOLRJ-UHFFFAOYSA-N 1 1 470.407 5.720 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494553 555404872 /nfs/dbraw/zinc/40/48/72/555404872.db2.gz CBWZBIPLKFXBSO-RUZDIDTESA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494553 555404875 /nfs/dbraw/zinc/40/48/75/555404875.db2.gz CBWZBIPLKFXBSO-RUZDIDTESA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494549 555405026 /nfs/dbraw/zinc/40/50/26/555405026.db2.gz RAXKJXDBRCNKJO-RUZDIDTESA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494549 555405028 /nfs/dbraw/zinc/40/50/28/555405028.db2.gz RAXKJXDBRCNKJO-RUZDIDTESA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494543 555405053 /nfs/dbraw/zinc/40/50/53/555405053.db2.gz DEXUATIRAYGRHG-DEOSSOPVSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494543 555405055 /nfs/dbraw/zinc/40/50/55/555405055.db2.gz DEXUATIRAYGRHG-DEOSSOPVSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495807 555409581 /nfs/dbraw/zinc/40/95/81/555409581.db2.gz OIZJWBAWLRORLH-MHZLTWQESA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495807 555409584 /nfs/dbraw/zinc/40/95/84/555409584.db2.gz OIZJWBAWLRORLH-MHZLTWQESA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495824 555409648 /nfs/dbraw/zinc/40/96/48/555409648.db2.gz WTAREYFJUCLRGN-MUUNZHRXSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495824 555409652 /nfs/dbraw/zinc/40/96/52/555409652.db2.gz WTAREYFJUCLRGN-MUUNZHRXSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495800 555409684 /nfs/dbraw/zinc/40/96/84/555409684.db2.gz CWJZECASLISFSW-XMMPIXPASA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495800 555409688 /nfs/dbraw/zinc/40/96/88/555409688.db2.gz CWJZECASLISFSW-XMMPIXPASA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495819 555409697 /nfs/dbraw/zinc/40/96/97/555409697.db2.gz JBFNUGBAVVNOQU-VWLOTQADSA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495819 555409702 /nfs/dbraw/zinc/40/97/02/555409702.db2.gz JBFNUGBAVVNOQU-VWLOTQADSA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495818 555409708 /nfs/dbraw/zinc/40/97/08/555409708.db2.gz JBFNUGBAVVNOQU-RUZDIDTESA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495818 555409711 /nfs/dbraw/zinc/40/97/11/555409711.db2.gz JBFNUGBAVVNOQU-RUZDIDTESA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495922 555410126 /nfs/dbraw/zinc/41/01/26/555410126.db2.gz ITHYOBUXIKEVAS-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495922 555410129 /nfs/dbraw/zinc/41/01/29/555410129.db2.gz ITHYOBUXIKEVAS-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495890 555410135 /nfs/dbraw/zinc/41/01/35/555410135.db2.gz ODGAMAUKNWVEDA-HHHXNRCGSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495890 555410137 /nfs/dbraw/zinc/41/01/37/555410137.db2.gz ODGAMAUKNWVEDA-HHHXNRCGSA-N 1 1 484.648 5.443 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498524 555421480 /nfs/dbraw/zinc/42/14/80/555421480.db2.gz KMVUNUGYPFBROW-AREMUKBSSA-N 1 1 476.669 5.860 40 0 JKABMO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498529 555421548 /nfs/dbraw/zinc/42/15/48/555421548.db2.gz KBCKNGOMJJVEPV-NDEPHWFRSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2cc(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498529 555421551 /nfs/dbraw/zinc/42/15/51/555421551.db2.gz KBCKNGOMJJVEPV-NDEPHWFRSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498528 555421609 /nfs/dbraw/zinc/42/16/09/555421609.db2.gz KBCKNGOMJJVEPV-MUUNZHRXSA-N 1 1 498.675 5.770 40 0 JKABMO Cc1ccc2cc(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498528 555421611 /nfs/dbraw/zinc/42/16/11/555421611.db2.gz KBCKNGOMJJVEPV-MUUNZHRXSA-N 1 1 498.675 5.770 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013498621 555422917 /nfs/dbraw/zinc/42/29/17/555422917.db2.gz FACOPNJIVSBWAP-XMMPIXPASA-N 1 1 480.657 5.200 40 0 JKABMO Cc1cc2cc(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498853 555425603 /nfs/dbraw/zinc/42/56/03/555425603.db2.gz AGSLGVJCJUTKLX-SANMLTNESA-N 1 1 486.664 5.328 40 0 JKABMO Cc1cc2cc(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498853 555425604 /nfs/dbraw/zinc/42/56/04/555425604.db2.gz AGSLGVJCJUTKLX-SANMLTNESA-N 1 1 486.664 5.328 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498913 555425966 /nfs/dbraw/zinc/42/59/66/555425966.db2.gz NEBDXMQRIORMEZ-MHZLTWQESA-N 1 1 484.648 5.322 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499029 555427219 /nfs/dbraw/zinc/42/72/19/555427219.db2.gz SZROGXUMJYBPSS-SANMLTNESA-N 1 1 476.669 5.779 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499042 555427459 /nfs/dbraw/zinc/42/74/59/555427459.db2.gz JOJUMNFTHJVSPA-HHHXNRCGSA-N 1 1 490.696 6.169 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499058 555427752 /nfs/dbraw/zinc/42/77/52/555427752.db2.gz DACGOHNBMDDMDT-HHHXNRCGSA-N 1 1 484.648 5.322 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499171 555428876 /nfs/dbraw/zinc/42/88/76/555428876.db2.gz QJUNVPWACYPJEU-SANMLTNESA-N 1 1 486.664 5.328 40 0 JKABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499171 555428880 /nfs/dbraw/zinc/42/88/80/555428880.db2.gz QJUNVPWACYPJEU-SANMLTNESA-N 1 1 486.664 5.328 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013499250 555429510 /nfs/dbraw/zinc/42/95/10/555429510.db2.gz PAJHBJTWHWYNOM-MHZLTWQESA-N 1 1 490.696 6.258 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499286 555429940 /nfs/dbraw/zinc/42/99/40/555429940.db2.gz QNAIOQLOQGAEFE-QHCPKHFHSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499297 555430073 /nfs/dbraw/zinc/43/00/73/555430073.db2.gz XOFXBZRIXINQFA-RUZDIDTESA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499330 555430417 /nfs/dbraw/zinc/43/04/17/555430417.db2.gz YRIXLPQYDQJXNS-VWLOTQADSA-N 1 1 474.609 5.140 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499445 555431225 /nfs/dbraw/zinc/43/12/25/555431225.db2.gz LMPHOZTZYPSNMZ-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499445 555431227 /nfs/dbraw/zinc/43/12/27/555431227.db2.gz LMPHOZTZYPSNMZ-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499470 555431659 /nfs/dbraw/zinc/43/16/59/555431659.db2.gz MTYOURQCEGCAEM-NDEPHWFRSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499470 555431660 /nfs/dbraw/zinc/43/16/60/555431660.db2.gz MTYOURQCEGCAEM-NDEPHWFRSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499480 555431816 /nfs/dbraw/zinc/43/18/16/555431816.db2.gz IYNCSRJYKCUWFS-SANMLTNESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499527 555432482 /nfs/dbraw/zinc/43/24/82/555432482.db2.gz UEYNDHACKFPWLU-AREMUKBSSA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499569 555432972 /nfs/dbraw/zinc/43/29/72/555432972.db2.gz UJYDBCVPDSTOPS-AREMUKBSSA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499578 555432994 /nfs/dbraw/zinc/43/29/94/555432994.db2.gz VYNXUDSSEYHIPO-MHZLTWQESA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499579 555433005 /nfs/dbraw/zinc/43/30/05/555433005.db2.gz QTFSLPJJGMZTIX-AREMUKBSSA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499588 555433013 /nfs/dbraw/zinc/43/30/13/555433013.db2.gz OREPGGHJVJVOHO-MHZLTWQESA-N 1 1 484.648 5.466 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499612 555433618 /nfs/dbraw/zinc/43/36/18/555433618.db2.gz XCHCDOYVDARMFZ-SANMLTNESA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499665 555434047 /nfs/dbraw/zinc/43/40/47/555434047.db2.gz BKLPVYLTHRYGIU-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499665 555434049 /nfs/dbraw/zinc/43/40/49/555434049.db2.gz BKLPVYLTHRYGIU-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500063 555435984 /nfs/dbraw/zinc/43/59/84/555435984.db2.gz IWCMBSNSPGEBIC-XMMPIXPASA-N 1 1 462.642 5.533 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500067 555436005 /nfs/dbraw/zinc/43/60/05/555436005.db2.gz VGCZUQBHJISRME-AREMUKBSSA-N 1 1 484.648 5.466 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500101 555436343 /nfs/dbraw/zinc/43/63/43/555436343.db2.gz HDGCRARFALZVGM-RUZDIDTESA-N 1 1 470.621 5.157 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500087 555436481 /nfs/dbraw/zinc/43/64/81/555436481.db2.gz WVQMSPHAHCDTST-RUZDIDTESA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500100 555436501 /nfs/dbraw/zinc/43/65/01/555436501.db2.gz HURNFULKJYIVMN-DEOSSOPVSA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500139 555436873 /nfs/dbraw/zinc/43/68/73/555436873.db2.gz CEFOOYDUMCAZDK-AREMUKBSSA-N 1 1 470.621 5.157 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500134 555436918 /nfs/dbraw/zinc/43/69/18/555436918.db2.gz ULLGJPASRCRJCR-QHCPKHFHSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500154 555437208 /nfs/dbraw/zinc/43/72/08/555437208.db2.gz CRCXWDDVWGFBPL-DEOSSOPVSA-N 1 1 464.658 5.644 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCCC3)cc2c1 ZINC000013500286 555438633 /nfs/dbraw/zinc/43/86/33/555438633.db2.gz VACXHENVIODUJB-XMMPIXPASA-N 1 1 480.657 5.200 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500275 555438636 /nfs/dbraw/zinc/43/86/36/555438636.db2.gz VCRCWDGLUAXMRC-RUZDIDTESA-N 1 1 472.637 5.020 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500275 555438637 /nfs/dbraw/zinc/43/86/37/555438637.db2.gz VCRCWDGLUAXMRC-RUZDIDTESA-N 1 1 472.637 5.020 40 0 JKABMO Cc1ccccc1CC[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@@H](c1nnnn1C1CCCC1)C(C)C ZINC000013500518 555440861 /nfs/dbraw/zinc/44/08/61/555440861.db2.gz AOZZECPTOAKFDB-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccccc1CC[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)[C@@H](c1nnnn1C1CCCC1)C(C)C ZINC000013500518 555440863 /nfs/dbraw/zinc/44/08/63/555440863.db2.gz AOZZECPTOAKFDB-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500499 555440899 /nfs/dbraw/zinc/44/08/99/555440899.db2.gz OVVWHKGGZOCVGL-SANMLTNESA-N 1 1 486.664 5.410 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500499 555440902 /nfs/dbraw/zinc/44/09/02/555440902.db2.gz OVVWHKGGZOCVGL-SANMLTNESA-N 1 1 486.664 5.410 40 0 JKABMO Cc1cccc(CC[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)c1 ZINC000013500521 555441149 /nfs/dbraw/zinc/44/11/49/555441149.db2.gz HURWMVDSSMWAPH-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cccc(CC[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)c1 ZINC000013500521 555441152 /nfs/dbraw/zinc/44/11/52/555441152.db2.gz HURWMVDSSMWAPH-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500640 555442078 /nfs/dbraw/zinc/44/20/78/555442078.db2.gz PHIBWJWLRNKNJL-HHHXNRCGSA-N 1 1 484.648 5.208 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500624 555442200 /nfs/dbraw/zinc/44/22/00/555442200.db2.gz QSYDFCOSGYKCGR-HSZRJFAPSA-N 1 1 450.631 5.110 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500664 555442558 /nfs/dbraw/zinc/44/25/58/555442558.db2.gz WWFACJMEFSRVPV-VWLOTQADSA-N 1 1 478.641 5.170 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C(C)(C)CC)C(C)C)C3CCCCC3)cc2c1 ZINC000013500675 555442585 /nfs/dbraw/zinc/44/25/85/555442585.db2.gz QJYLVGLAHQJXDL-RUZDIDTESA-N 1 1 494.684 5.590 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500752 555443510 /nfs/dbraw/zinc/44/35/10/555443510.db2.gz KKCNXPIXTUKWNN-XMMPIXPASA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500752 555443513 /nfs/dbraw/zinc/44/35/13/555443513.db2.gz KKCNXPIXTUKWNN-XMMPIXPASA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500989 555445818 /nfs/dbraw/zinc/44/58/18/555445818.db2.gz PVNAIRBUDOWZPV-MHZLTWQESA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500989 555445822 /nfs/dbraw/zinc/44/58/22/555445822.db2.gz PVNAIRBUDOWZPV-MHZLTWQESA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500977 555445949 /nfs/dbraw/zinc/44/59/49/555445949.db2.gz DQUXBSIBLYWJKW-VWLOTQADSA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500977 555445953 /nfs/dbraw/zinc/44/59/53/555445953.db2.gz DQUXBSIBLYWJKW-VWLOTQADSA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500980 555446027 /nfs/dbraw/zinc/44/60/27/555446027.db2.gz SQSIHRYRAASVTK-HHHXNRCGSA-N 1 1 498.675 5.914 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500980 555446030 /nfs/dbraw/zinc/44/60/30/555446030.db2.gz SQSIHRYRAASVTK-HHHXNRCGSA-N 1 1 498.675 5.914 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500995 555446318 /nfs/dbraw/zinc/44/63/18/555446318.db2.gz CEUVPVPDKSGIQX-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500995 555446319 /nfs/dbraw/zinc/44/63/19/555446319.db2.gz CEUVPVPDKSGIQX-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500994 555446364 /nfs/dbraw/zinc/44/63/64/555446364.db2.gz CEUVPVPDKSGIQX-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500994 555446366 /nfs/dbraw/zinc/44/63/66/555446366.db2.gz CEUVPVPDKSGIQX-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500996 555446385 /nfs/dbraw/zinc/44/63/85/555446385.db2.gz JKKFWECEZBBCOK-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500996 555446387 /nfs/dbraw/zinc/44/63/87/555446387.db2.gz JKKFWECEZBBCOK-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500990 555446400 /nfs/dbraw/zinc/44/64/00/555446400.db2.gz GLXCASIMDXENFB-MUUNZHRXSA-N 1 1 498.675 5.914 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500990 555446402 /nfs/dbraw/zinc/44/64/02/555446402.db2.gz GLXCASIMDXENFB-MUUNZHRXSA-N 1 1 498.675 5.914 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501086 555447139 /nfs/dbraw/zinc/44/71/39/555447139.db2.gz RGLUMENVEXNIGX-RUZDIDTESA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501087 555447356 /nfs/dbraw/zinc/44/73/56/555447356.db2.gz RGLUMENVEXNIGX-VWLOTQADSA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501095 555447362 /nfs/dbraw/zinc/44/73/62/555447362.db2.gz CVODEOFKUNAGRZ-MHZLTWQESA-N 1 1 498.675 5.660 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501123 555447675 /nfs/dbraw/zinc/44/76/75/555447675.db2.gz FTGGCISFBUTVQQ-DEOSSOPVSA-N 1 1 462.642 5.614 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501124 555447697 /nfs/dbraw/zinc/44/76/97/555447697.db2.gz XXLPMIJNBQNXGF-RUZDIDTESA-N 1 1 470.621 5.157 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501126 555447732 /nfs/dbraw/zinc/44/77/32/555447732.db2.gz JBNLADRCUHHQJP-RUZDIDTESA-N 1 1 488.611 5.296 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501163 555448224 /nfs/dbraw/zinc/44/82/24/555448224.db2.gz LXRAUNPQWLIIQE-SANMLTNESA-N 1 1 470.621 5.157 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501157 555448282 /nfs/dbraw/zinc/44/82/82/555448282.db2.gz LIXCSNAIIMCRGG-QHCPKHFHSA-N 1 1 450.631 5.254 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501229 555448741 /nfs/dbraw/zinc/44/87/41/555448741.db2.gz SIIGDTDWNLXJCC-UHFFFAOYSA-N 1 1 496.659 5.452 40 0 JKABMO Cc1ccc(COc2cccc(C(=S)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)cc1 ZINC000013547804 555490228 /nfs/dbraw/zinc/49/02/28/555490228.db2.gz GOCKLZKXJMTAOY-UHFFFAOYSA-N 1 1 492.688 6.657 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013564978 555500625 /nfs/dbraw/zinc/50/06/25/555500625.db2.gz JNHIBWKUFQZLRI-UHFFFAOYSA-N 1 1 492.620 5.275 40 0 JKABMO C[N@@H+](CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CC(C)(C)C)cs1)C1CCCCC1 ZINC000013565773 555502850 /nfs/dbraw/zinc/50/28/50/555502850.db2.gz HHLCRAVIPMSFTI-UHFFFAOYSA-N 1 1 468.667 5.338 40 0 JKABMO Cc1ccc(COc2ccccc2C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842731 555509581 /nfs/dbraw/zinc/50/95/81/555509581.db2.gz RFWUPZKORFUDBJ-UHFFFAOYSA-N 1 1 492.688 6.657 40 0 JKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1cc(Cl)cc(Cl)c1)C[N@H+](Cc1ccccc1)CC3 ZINC000014162738 555716832 /nfs/dbraw/zinc/71/68/32/555716832.db2.gz HVBLCTQOZYBVSV-UHFFFAOYSA-N 1 1 474.438 5.975 40 0 JKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1cc(Cl)cc(Cl)c1)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162738 555716834 /nfs/dbraw/zinc/71/68/34/555716834.db2.gz HVBLCTQOZYBVSV-UHFFFAOYSA-N 1 1 474.438 5.975 40 0 JKABMO O=C(CSCc1ccccc1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238248 555732119 /nfs/dbraw/zinc/73/21/19/555732119.db2.gz CBNOSXRPJALEOP-UHFFFAOYSA-N 1 1 495.486 5.616 40 0 JKABMO O=C(CSCc1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238108 555732207 /nfs/dbraw/zinc/73/22/07/555732207.db2.gz NXUPHAPPRJYCIE-UHFFFAOYSA-N 1 1 451.035 5.507 40 0 JKABMO O=C(NCCSCc1cccc(Cl)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020238801 555732830 /nfs/dbraw/zinc/73/28/30/555732830.db2.gz URACYIRUUVAXFX-UHFFFAOYSA-N 1 1 451.035 5.562 40 0 JKABMO Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C[N@H+]5CCc6ccccc6C5)cc4)cc3)sc2c1 ZINC000020238808 555732843 /nfs/dbraw/zinc/73/28/43/555732843.db2.gz AOIQRHAGRJLKMT-UHFFFAOYSA-N 1 1 489.644 7.082 40 0 JKABMO CCCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014271778 555767656 /nfs/dbraw/zinc/76/76/56/555767656.db2.gz CNYLVYZRPYOHFA-UHFFFAOYSA-N 1 1 459.059 5.056 40 0 JKABMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1Cl ZINC000014273627 555773972 /nfs/dbraw/zinc/77/39/72/555773972.db2.gz QLRLXCDGCNZPPB-UHFFFAOYSA-N 1 1 470.400 5.577 40 0 JKABMO CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014277102 555785059 /nfs/dbraw/zinc/78/50/59/555785059.db2.gz ADUUWRPYERTKKM-UHFFFAOYSA-N 1 1 493.076 5.351 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 ZINC000014277224 555785435 /nfs/dbraw/zinc/78/54/35/555785435.db2.gz OLPCQYALANYIAN-UHFFFAOYSA-N 1 1 489.428 5.132 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000014291035 555791900 /nfs/dbraw/zinc/79/19/00/555791900.db2.gz VRLCTDUMCWFDAB-UHFFFAOYSA-N 1 1 474.819 6.221 40 0 JKABMO Cc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc32)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000015017771 555859028 /nfs/dbraw/zinc/85/90/28/555859028.db2.gz AKCCJWJZPSTSQM-IXCJQBJRSA-N 1 1 474.004 5.237 40 0 JKABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022075476 555870943 /nfs/dbraw/zinc/87/09/43/555870943.db2.gz WDIFNYUMRKLBQB-UHFFFAOYSA-N 1 1 469.851 5.512 40 0 JKABMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076331 555871209 /nfs/dbraw/zinc/87/12/09/555871209.db2.gz RSJFNCIOMNMQTP-UHFFFAOYSA-N 1 1 471.178 6.226 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2Cl)CC1 ZINC000022741543 555949560 /nfs/dbraw/zinc/94/95/60/555949560.db2.gz QYRQEAFOUALRKF-DHZHZOJOSA-N 1 1 484.427 6.356 40 0 JKABMO CCc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000012635599 556094338 /nfs/dbraw/zinc/09/43/38/556094338.db2.gz CCCVGCQWKWBAMQ-VWLOTQADSA-N 1 1 476.690 5.391 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)N[C@@H](C)c1ccccc1 ZINC000012635696 556094734 /nfs/dbraw/zinc/09/47/34/556094734.db2.gz XYVQEATUUZJMBO-SQJMNOBHSA-N 1 1 476.690 5.067 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2Cl)CC1 ZINC000016681525 556150935 /nfs/dbraw/zinc/15/09/35/556150935.db2.gz ZEFXQMONKDJQLO-UHFFFAOYSA-N 1 1 468.837 6.256 40 0 JKABMO CN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768362 556158448 /nfs/dbraw/zinc/15/84/48/556158448.db2.gz DOBAYKUDJNEHSM-UHFFFAOYSA-N 1 1 469.386 6.486 40 0 JKABMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(CCO)Cc2ccccc2)cc1 ZINC000016768325 556158514 /nfs/dbraw/zinc/15/85/14/556158514.db2.gz QDGLEWGGCAYCBL-UHFFFAOYSA-N 1 1 450.542 5.095 40 0 JKABMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575449 556222569 /nfs/dbraw/zinc/22/25/69/556222569.db2.gz XUYWHPLJOIXBAC-BJKOFHAPSA-N 1 1 477.351 5.806 40 0 JKABMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575438 556222580 /nfs/dbraw/zinc/22/25/80/556222580.db2.gz XUYWHPLJOIXBAC-DNQXCXABSA-N 1 1 477.351 5.806 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000013063692 556260718 /nfs/dbraw/zinc/26/07/18/556260718.db2.gz VUZPUDQKEKRHDK-MHZLTWQESA-N 1 1 484.648 5.411 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063837 556261074 /nfs/dbraw/zinc/26/10/74/556261074.db2.gz YANHFWHGEKOUJV-VWLOTQADSA-N 1 1 462.642 5.614 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063942 556261222 /nfs/dbraw/zinc/26/12/22/556261222.db2.gz GNRDNNGCLWBTJR-SANMLTNESA-N 1 1 488.611 5.296 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063975 556261381 /nfs/dbraw/zinc/26/13/81/556261381.db2.gz VQIXMRAHPDLSRR-HHHXNRCGSA-N 1 1 484.648 5.352 40 0 JKABMO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000026781427 556262397 /nfs/dbraw/zinc/26/23/97/556262397.db2.gz ZCLCFQGKMMOAAQ-QBYNGQAISA-N 1 1 464.694 5.376 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064799 556262730 /nfs/dbraw/zinc/26/27/30/556262730.db2.gz XKOLODUXEZJPJJ-DEOSSOPVSA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064804 556262921 /nfs/dbraw/zinc/26/29/21/556262921.db2.gz CWFDLWOYDJOKCW-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064804 556262922 /nfs/dbraw/zinc/26/29/22/556262922.db2.gz CWFDLWOYDJOKCW-AREMUKBSSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064988 556263203 /nfs/dbraw/zinc/26/32/03/556263203.db2.gz CIXWMXNCOWTEDL-MUUNZHRXSA-N 1 1 498.675 5.660 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064880 556263230 /nfs/dbraw/zinc/26/32/30/556263230.db2.gz PFCNMRYRXSBQAG-HHHXNRCGSA-N 1 1 484.648 5.466 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064883 556263249 /nfs/dbraw/zinc/26/32/49/556263249.db2.gz LNNXXMFCKHQIAS-SANMLTNESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064883 556263253 /nfs/dbraw/zinc/26/32/53/556263253.db2.gz LNNXXMFCKHQIAS-SANMLTNESA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065054 556263368 /nfs/dbraw/zinc/26/33/68/556263368.db2.gz ABTBSANQSGNFSY-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065054 556263371 /nfs/dbraw/zinc/26/33/71/556263371.db2.gz ABTBSANQSGNFSY-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065051 556263377 /nfs/dbraw/zinc/26/33/77/556263377.db2.gz YODHOQPRVWSUNX-VWLOTQADSA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065211 556263650 /nfs/dbraw/zinc/26/36/50/556263650.db2.gz DJPVWYMMIHLOOM-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065211 556263653 /nfs/dbraw/zinc/26/36/53/556263653.db2.gz DJPVWYMMIHLOOM-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065195 556263736 /nfs/dbraw/zinc/26/37/36/556263736.db2.gz OTGLNTQNRNZNFG-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065195 556263739 /nfs/dbraw/zinc/26/37/39/556263739.db2.gz OTGLNTQNRNZNFG-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065113 556263766 /nfs/dbraw/zinc/26/37/66/556263766.db2.gz NAPNRVGWOBQSMO-VWLOTQADSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065113 556263771 /nfs/dbraw/zinc/26/37/71/556263771.db2.gz NAPNRVGWOBQSMO-VWLOTQADSA-N 1 1 488.611 5.215 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030937904 556388397 /nfs/dbraw/zinc/38/83/97/556388397.db2.gz DLJXPPOQFRUZSS-GOSISDBHSA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030937904 556388401 /nfs/dbraw/zinc/38/84/01/556388401.db2.gz DLJXPPOQFRUZSS-GOSISDBHSA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030941360 556388445 /nfs/dbraw/zinc/38/84/45/556388445.db2.gz KZLBLZFSKFJHEG-LJQANCHMSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030941360 556388449 /nfs/dbraw/zinc/38/84/49/556388449.db2.gz KZLBLZFSKFJHEG-LJQANCHMSA-N 1 1 455.385 6.636 40 0 JKABMO CC(=O)N1CCC([NH2+]C[C@@H]2C=C(C)[C@H](Cc3nc4ccc(Cl)cc4[nH]3)C[C@H]2C(C)C)CC1 ZINC000072321030 560077728 /nfs/dbraw/zinc/07/77/28/560077728.db2.gz ADKPPKMMTWBWTB-JTAQYXEDSA-N 1 1 457.062 5.214 40 0 biogenic,in-vitro JKABMO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000054350452 569589935 /nfs/dbraw/zinc/58/99/35/569589935.db2.gz QMKUDWIPSMAQIX-UHFFFAOYSA-N 1 1 453.583 5.087 40 0 JKABMO COc1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc4ccccc4c3)nn2C)cc1 ZINC000012602736 569602268 /nfs/dbraw/zinc/60/22/68/569602268.db2.gz QOXNVGGSEZWCAT-RWUBSVTLSA-N 1 1 496.611 5.675 40 0 biogenic,in-vitro JKABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1C ZINC000059558990 569606756 /nfs/dbraw/zinc/60/67/56/569606756.db2.gz WSAFNDKGLSSTQJ-UHFFFAOYSA-N 1 1 493.076 5.406 40 0 JKABMO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059960769 569608255 /nfs/dbraw/zinc/60/82/55/569608255.db2.gz ZVVKOJPJOWVEPA-FQEVSTJZSA-N 1 1 451.035 5.754 40 0 JKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000033371154 569625241 /nfs/dbraw/zinc/62/52/41/569625241.db2.gz SMZGSODLMSJESX-UHFFFAOYSA-N 1 1 467.034 5.421 40 0 JKABMO S=C(c1ccc(OCc2ccccc2Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033597036 569628403 /nfs/dbraw/zinc/62/84/03/569628403.db2.gz KHOPKTLVIHNJDX-UHFFFAOYSA-N 1 1 471.453 6.066 40 0 JKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1 ZINC000034851537 569667184 /nfs/dbraw/zinc/66/71/84/569667184.db2.gz DAFXRNUOVPXPME-UHFFFAOYSA-N 1 1 485.024 5.560 40 0 JKABMO CC[C@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000065734601 569676505 /nfs/dbraw/zinc/67/65/05/569676505.db2.gz FTABTAJMFUXTFE-NDEPHWFRSA-N 1 1 463.574 5.307 40 0 in-vitro JKABMO COC(=O)CN1C(c2ccc(N(C)C)cc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000095618969 569728233 /nfs/dbraw/zinc/72/82/33/569728233.db2.gz GILXIZKQAMUVRD-DEOSSOPVSA-N 1 1 478.390 5.171 40 0 JKABMO COC(=O)CN1C(c2ccc(N(C)C)cc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000095618970 569728280 /nfs/dbraw/zinc/72/82/80/569728280.db2.gz GILXIZKQAMUVRD-XMMPIXPASA-N 1 1 478.390 5.171 40 0 JKABMO Cc1noc(-c2ccccc2)c1C[N@@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1 ZINC000096125833 569736228 /nfs/dbraw/zinc/73/62/28/569736228.db2.gz MNLKEFOCXGTZRN-UHFFFAOYSA-N 1 1 450.464 5.684 40 0 JKABMO Cc1noc(-c2ccccc2)c1C[N@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1 ZINC000096125833 569736229 /nfs/dbraw/zinc/73/62/29/569736229.db2.gz MNLKEFOCXGTZRN-UHFFFAOYSA-N 1 1 450.464 5.684 40 0 JKABMO O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096214613 569738360 /nfs/dbraw/zinc/73/83/60/569738360.db2.gz WHTGPUVNEWDLOY-NDEPHWFRSA-N 1 1 460.643 5.314 40 0 JKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036628210 569779071 /nfs/dbraw/zinc/77/90/71/569779071.db2.gz KPBOMNKSBFXSPG-UHFFFAOYSA-N 1 1 479.609 5.420 40 0 JKABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000036628470 569779081 /nfs/dbraw/zinc/77/90/81/569779081.db2.gz BRMIFJZWJUREMJ-UHFFFAOYSA-N 1 1 459.981 5.190 40 0 JKABMO Cc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc32)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000101014352 569779234 /nfs/dbraw/zinc/77/92/34/569779234.db2.gz AKCCJWJZPSTSQM-XCZPVHLTSA-N 1 1 474.004 5.237 40 0 JKABMO Cc1ccc([C@H]([C@H](O)C(=O)c2c[nH]c3ccccc32)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000101014355 569779256 /nfs/dbraw/zinc/77/92/56/569779256.db2.gz AKCCJWJZPSTSQM-IAPPQJPRSA-N 1 1 474.004 5.237 40 0 JKABMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)cc1 ZINC000036729317 569780566 /nfs/dbraw/zinc/78/05/66/569780566.db2.gz LRQVVOIYJXKCHO-MHZLTWQESA-N 1 1 495.030 5.440 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101360692 569794267 /nfs/dbraw/zinc/79/42/67/569794267.db2.gz GEQAKVQGBSMXMJ-UWHLTILDSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101360692 569794268 /nfs/dbraw/zinc/79/42/68/569794268.db2.gz GEQAKVQGBSMXMJ-UWHLTILDSA-N 1 1 469.368 5.124 40 0 JKABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833087 569808713 /nfs/dbraw/zinc/80/87/13/569808713.db2.gz QPGJOYLWAAGLFD-DEOSSOPVSA-N 1 1 467.440 6.434 40 0 JKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834403 569808779 /nfs/dbraw/zinc/80/87/79/569808779.db2.gz RKAMDSPSGKYYCQ-LJQANCHMSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834403 569808781 /nfs/dbraw/zinc/80/87/81/569808781.db2.gz RKAMDSPSGKYYCQ-LJQANCHMSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038860812 569809017 /nfs/dbraw/zinc/80/90/17/569809017.db2.gz DZPPUPATDXMPQI-KRWDZBQOSA-N 1 1 489.830 7.290 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038860812 569809019 /nfs/dbraw/zinc/80/90/19/569809019.db2.gz DZPPUPATDXMPQI-KRWDZBQOSA-N 1 1 489.830 7.290 40 0 JKABMO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OCC ZINC000039760923 569811629 /nfs/dbraw/zinc/81/16/29/569811629.db2.gz ZIHYJQGOSQPKHR-KRWDZBQOSA-N 1 1 462.993 5.366 40 0 JKABMO CCOC(=O)c1c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)sc2c1CCCC2 ZINC000039768766 569811900 /nfs/dbraw/zinc/81/19/00/569811900.db2.gz GQJRTYPTDDWGFL-UHFFFAOYSA-N 1 1 479.017 5.447 40 0 JKABMO Fc1ccccc1COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000108076396 569858509 /nfs/dbraw/zinc/85/85/09/569858509.db2.gz OAGXCTOJKBSZIH-UHFFFAOYSA-N 1 1 454.998 5.551 40 0 JKABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118918726 569863439 /nfs/dbraw/zinc/86/34/39/569863439.db2.gz ZRQKIWOCYULNCN-RBFPJYLRSA-N 1 1 455.683 5.942 40 0 JKABMO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](CC(CN(C)C)C[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923250 569863650 /nfs/dbraw/zinc/86/36/50/569863650.db2.gz PICLLOBAUVAXDN-UBOISHNCSA-N 1 1 460.747 5.707 40 0 JKABMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](CC(CN(C)C)C[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118923244 569863686 /nfs/dbraw/zinc/86/36/86/569863686.db2.gz PICLLOBAUVAXDN-POFSMYHLSA-N 1 1 460.747 5.707 40 0 JKABMO C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000216220965 569877854 /nfs/dbraw/zinc/87/78/54/569877854.db2.gz SUAYVLNUIQOSDK-FGZHOGPDSA-N 1 1 455.602 5.662 40 0 JKABMO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)c1 ZINC000216269548 569878049 /nfs/dbraw/zinc/87/80/49/569878049.db2.gz HOFXAVFGONYDTR-OAQYLSRUSA-N 1 1 491.657 5.588 40 0 JKABMO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)cc1 ZINC000216293971 569878175 /nfs/dbraw/zinc/87/81/75/569878175.db2.gz GWUQPOQAJUHJCM-OAQYLSRUSA-N 1 1 477.630 5.280 40 0 JKABMO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2)c1 ZINC000216328835 569878307 /nfs/dbraw/zinc/87/83/07/569878307.db2.gz VTEBBOHXDUSCRL-NRFANRHFSA-N 1 1 477.630 5.280 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000222583519 569886268 /nfs/dbraw/zinc/88/62/68/569886268.db2.gz ARDPSSJCVYWSNZ-UHFFFAOYSA-N 1 1 493.485 5.988 40 0 JKABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975739 569895891 /nfs/dbraw/zinc/89/58/91/569895891.db2.gz ZNIKNKKDZRSJCF-SFHVURJKSA-N 1 1 455.440 5.417 40 0 JKABMO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000223181614 569902375 /nfs/dbraw/zinc/90/23/75/569902375.db2.gz WORCIGNZYNANLE-HNNXBMFYSA-N 1 1 451.394 5.100 40 0 JKABMO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1C(C)C ZINC000223349596 569908243 /nfs/dbraw/zinc/90/82/43/569908243.db2.gz VMRYAQPFCMRRHJ-SFHVURJKSA-N 1 1 477.476 6.523 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C(C)C ZINC000223349948 569908257 /nfs/dbraw/zinc/90/82/57/569908257.db2.gz VWKCPHFUQFCNJX-LJQANCHMSA-N 1 1 487.482 5.979 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C(C)C ZINC000223389590 569909592 /nfs/dbraw/zinc/90/95/92/569909592.db2.gz OQMWURBFYPFFQE-GOSISDBHSA-N 1 1 461.021 6.009 40 0 JKABMO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 ZINC000223630171 569918371 /nfs/dbraw/zinc/91/83/71/569918371.db2.gz JIQAKQLKGSWMAE-HSZRJFAPSA-N 1 1 459.005 5.890 40 0 JKABMO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 ZINC000223630220 569918374 /nfs/dbraw/zinc/91/83/74/569918374.db2.gz JIQAKQLKGSWMAE-QHCPKHFHSA-N 1 1 459.005 5.890 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223953064 569928233 /nfs/dbraw/zinc/92/82/33/569928233.db2.gz LEQWBKFDOPIGJV-SFHVURJKSA-N 1 1 459.040 5.335 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223953064 569928234 /nfs/dbraw/zinc/92/82/34/569928234.db2.gz LEQWBKFDOPIGJV-SFHVURJKSA-N 1 1 459.040 5.335 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224221597 569937068 /nfs/dbraw/zinc/93/70/68/569937068.db2.gz CVUYKRSNOCDENF-UHFFFAOYSA-N 1 1 492.619 5.899 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224536026 569947621 /nfs/dbraw/zinc/94/76/21/569947621.db2.gz PUAYHFKIYTUMAH-UHFFFAOYSA-N 1 1 458.602 5.239 40 0 JKABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000224540951 569947679 /nfs/dbraw/zinc/94/76/79/569947679.db2.gz VHVLSVJKGWNCNM-UHFFFAOYSA-N 1 1 467.034 5.395 40 0 JKABMO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224543750 569947844 /nfs/dbraw/zinc/94/78/44/569947844.db2.gz MXZYLBHSVUBVPU-UHFFFAOYSA-N 1 1 463.449 5.698 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1C(C)C ZINC000224569296 569948950 /nfs/dbraw/zinc/94/89/50/569948950.db2.gz SBLLIQCOEVWRNX-UHFFFAOYSA-N 1 1 472.629 5.746 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc2ccccc21 ZINC000224634583 569951753 /nfs/dbraw/zinc/95/17/53/569951753.db2.gz LBSRNSYAUFTYOG-UHFFFAOYSA-N 1 1 480.608 5.776 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc2ccccc2c1 ZINC000224644812 569952038 /nfs/dbraw/zinc/95/20/38/569952038.db2.gz 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C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526751 570002612 /nfs/dbraw/zinc/00/26/12/570002612.db2.gz GBOBIXZFTZCLCI-OAQYLSRUSA-N 1 1 455.042 6.434 40 0 JKABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000225529433 570002887 /nfs/dbraw/zinc/00/28/87/570002887.db2.gz UWAZCGNCXJDNDV-UHFFFAOYSA-N 1 1 477.432 5.545 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225529134 570002903 /nfs/dbraw/zinc/00/29/03/570002903.db2.gz QDSZZDMGYLNMRY-IBGZPJMESA-N 1 1 475.460 6.697 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCCC2)cc1 ZINC000225531643 570003089 /nfs/dbraw/zinc/00/30/89/570003089.db2.gz IVPITHKKJCVEOV-SZPZYZBQSA-N 1 1 450.623 5.502 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@@H]4C)cc3)CCCC2)cc1 ZINC000225532100 570003166 /nfs/dbraw/zinc/00/31/66/570003166.db2.gz OYUGIAVWZQWPBR-QFIPXVFZSA-N 1 1 450.623 5.789 40 0 JKABMO 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c1ccc([PH+](C2CCCCC2)C2CCCCC2)c(P(C2CCCCC2)C2CCCCC2)c1 ZINC000090751808 526489373 /nfs/dbraw/zinc/48/93/73/526489373.db2.gz DZNBZPKZOBDXEL-UHFFFAOYSA-N 1 1 470.662 9.232 40 0 JKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044938943 527449143 /nfs/dbraw/zinc/44/91/43/527449143.db2.gz HZUOZDSZHQWDBU-UHFFFAOYSA-N 1 1 451.570 6.021 40 0 JKABMO O=c1ccc(/C=C/c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000020503489 527485438 /nfs/dbraw/zinc/48/54/38/527485438.db2.gz IKGMRORCKRQFMH-JAKVWHFVSA-N 1 1 468.000 5.840 40 0 biogenic,in-vitro JKABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001072951 553904238 /nfs/dbraw/zinc/90/42/38/553904238.db2.gz UATSORGDFWLUQU-ZFWWWQNUSA-N 1 1 498.958 5.551 40 0 JKABMO COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000001280342 553939638 /nfs/dbraw/zinc/93/96/38/553939638.db2.gz RXLGJHRPYZIAAS-ZQMYSKGWSA-N 1 1 465.634 5.590 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(C)c1C ZINC000001325930 553941769 /nfs/dbraw/zinc/94/17/69/553941769.db2.gz AVIVFPIFWMKWCO-HSZRJFAPSA-N 1 1 462.663 5.137 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(C)c1C ZINC000001325926 553941782 /nfs/dbraw/zinc/94/17/82/553941782.db2.gz AVIVFPIFWMKWCO-QHCPKHFHSA-N 1 1 462.663 5.137 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1C ZINC000001325935 553942121 /nfs/dbraw/zinc/94/21/21/553942121.db2.gz ZGUFGJSQCKAGRG-QHCPKHFHSA-N 1 1 462.663 5.137 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1C ZINC000001332255 553947227 /nfs/dbraw/zinc/94/72/27/553947227.db2.gz XGKRZNRYNRNBKB-XMMPIXPASA-N 1 1 476.690 5.445 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(C)cc1C ZINC000001332262 553947240 /nfs/dbraw/zinc/94/72/40/553947240.db2.gz NIXAVWULUJHARG-XMMPIXPASA-N 1 1 476.690 5.445 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000001332272 553947266 /nfs/dbraw/zinc/94/72/66/553947266.db2.gz FQEWMUARACSHRI-QHCPKHFHSA-N 1 1 483.081 5.482 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1C ZINC000001332251 553947349 /nfs/dbraw/zinc/94/73/49/553947349.db2.gz XGKRZNRYNRNBKB-DEOSSOPVSA-N 1 1 476.690 5.445 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001352963 553956160 /nfs/dbraw/zinc/95/61/60/553956160.db2.gz ZOUFIKDPNAAWPD-HXUWFJFHSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001353316 553956437 /nfs/dbraw/zinc/95/64/37/553956437.db2.gz UGCPHXSQONOLEH-HXUWFJFHSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001371109 553960929 /nfs/dbraw/zinc/96/09/29/553960929.db2.gz DQKTYJZNJBKWBK-NRFANRHFSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001371113 553960954 /nfs/dbraw/zinc/96/09/54/553960954.db2.gz CAJPGVZDZAFKIQ-QHCPKHFHSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375560 553963669 /nfs/dbraw/zinc/96/36/69/553963669.db2.gz OXFLCSCCWDLALF-XMMPIXPASA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375560 553963672 /nfs/dbraw/zinc/96/36/72/553963672.db2.gz OXFLCSCCWDLALF-XMMPIXPASA-N 1 1 472.637 5.082 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001378300 553965053 /nfs/dbraw/zinc/96/50/53/553965053.db2.gz OWVWXVPGMGDGEZ-JOCHJYFZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001378298 553965076 /nfs/dbraw/zinc/96/50/76/553965076.db2.gz OWVWXVPGMGDGEZ-QFIPXVFZSA-N 1 1 452.986 5.008 40 0 JKABMO CC(C)[C@@H]1c2ccc(F)cc2CC[C@]1(CC[N@@H+](C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 ZINC000001494244 553977328 /nfs/dbraw/zinc/97/73/28/553977328.db2.gz VHHVPDKNKPNKHY-PQHLKRTFSA-N 1 1 491.651 6.035 40 0 JKABMO CC[NH+](CC)CC[C@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccc(Cl)c(Cl)c1 ZINC000001591928 553979905 /nfs/dbraw/zinc/97/99/05/553979905.db2.gz HMWGASGKQAVXQS-GOSISDBHSA-N 1 1 464.868 7.431 40 0 JKABMO O=C(Cc1cccc2ccccc21)N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000002090958 554034487 /nfs/dbraw/zinc/03/44/87/554034487.db2.gz QEHNLADBQYXELH-LSWJPFSZSA-N 1 1 483.867 5.476 40 0 JKABMO CCc1cc([C@H](c2ccc(Br)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551876 554235707 /nfs/dbraw/zinc/23/57/07/554235707.db2.gz VUUUDKHKXOWDDS-DEOSSOPVSA-N 1 1 497.502 7.147 40 0 JKABMO C[N@H+]1[C@@H](CC(O)(c2ccccc2)c2ccccc2)CCC[C@H]1CC(O)(c1ccccc1)c1ccccc1 ZINC000005046306 554485618 /nfs/dbraw/zinc/48/56/18/554485618.db2.gz PLTQDLKETZLMFE-MEKGRNQZSA-N 1 1 491.675 6.492 40 0 JKABMO CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000006135994 554507864 /nfs/dbraw/zinc/50/78/64/554507864.db2.gz QIDDVIIQYDDLQP-DQEYMECFSA-N 1 1 490.394 5.864 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149608 554511843 /nfs/dbraw/zinc/51/18/43/554511843.db2.gz NVXQFGVFWZOOHJ-QHCPKHFHSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149608 554511845 /nfs/dbraw/zinc/51/18/45/554511845.db2.gz NVXQFGVFWZOOHJ-QHCPKHFHSA-N 1 1 462.642 5.104 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300649 554529379 /nfs/dbraw/zinc/52/93/79/554529379.db2.gz FOPRYLGCFXGOLF-VWLOTQADSA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300649 554529380 /nfs/dbraw/zinc/52/93/80/554529380.db2.gz FOPRYLGCFXGOLF-VWLOTQADSA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443630 554537953 /nfs/dbraw/zinc/53/79/53/554537953.db2.gz HSCMKLYWIASWNB-DEOSSOPVSA-N 1 1 460.626 5.074 40 0 JKABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443630 554537956 /nfs/dbraw/zinc/53/79/56/554537956.db2.gz HSCMKLYWIASWNB-DEOSSOPVSA-N 1 1 460.626 5.074 40 0 JKABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006444136 554538339 /nfs/dbraw/zinc/53/83/39/554538339.db2.gz HBDCGQZNMQZFRW-AREMUKBSSA-N 1 1 482.632 5.007 40 0 JKABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006444136 554538343 /nfs/dbraw/zinc/53/83/43/554538343.db2.gz HBDCGQZNMQZFRW-AREMUKBSSA-N 1 1 482.632 5.007 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000008831732 554723683 /nfs/dbraw/zinc/72/36/83/554723683.db2.gz CVQNXPFNJOGNDU-UHFFFAOYSA-N 1 1 473.429 5.025 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000008898323 554788651 /nfs/dbraw/zinc/78/86/51/554788651.db2.gz RWQZSTGMKDQXSM-XBXARRHUSA-N 1 1 497.879 5.315 40 0 JKABMO O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009062746 554880352 /nfs/dbraw/zinc/88/03/52/554880352.db2.gz ZOHDANOATDCMBZ-UHFFFAOYSA-N 1 1 484.974 5.726 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063260 554880954 /nfs/dbraw/zinc/88/09/54/554880954.db2.gz GWBTULZWRCYQJM-UHFFFAOYSA-N 1 1 467.396 6.075 40 0 JKABMO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063670 554881298 /nfs/dbraw/zinc/88/12/98/554881298.db2.gz DUDUJADAUXLRRY-UHFFFAOYSA-N 1 1 455.426 5.394 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063547 554881383 /nfs/dbraw/zinc/88/13/83/554881383.db2.gz VCVKVDLVGAZHNR-UHFFFAOYSA-N 1 1 450.941 5.561 40 0 JKABMO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)ccc21 ZINC000009063731 554881618 /nfs/dbraw/zinc/88/16/18/554881618.db2.gz KDWPHCZPNLQXOW-UHFFFAOYSA-N 1 1 463.984 6.458 40 0 JKABMO O=C(NCCSCc1c(Cl)cccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063688 554881648 /nfs/dbraw/zinc/88/16/48/554881648.db2.gz HBTUACCUNIYFID-UHFFFAOYSA-N 1 1 489.871 6.048 40 0 JKABMO O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063685 554881662 /nfs/dbraw/zinc/88/16/62/554881662.db2.gz GZVHKLUJCIBKSU-UHFFFAOYSA-N 1 1 489.871 6.048 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495821 555409659 /nfs/dbraw/zinc/40/96/59/555409659.db2.gz KIQISABJJRVSHF-SANMLTNESA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495821 555409663 /nfs/dbraw/zinc/40/96/63/555409663.db2.gz KIQISABJJRVSHF-SANMLTNESA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495872 555409826 /nfs/dbraw/zinc/40/98/26/555409826.db2.gz SAGGMFBNAFXQRQ-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495872 555409830 /nfs/dbraw/zinc/40/98/30/555409830.db2.gz SAGGMFBNAFXQRQ-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495935 555409982 /nfs/dbraw/zinc/40/99/82/555409982.db2.gz UYGBZQXFJNIVID-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495935 555409987 /nfs/dbraw/zinc/40/99/87/555409987.db2.gz UYGBZQXFJNIVID-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495891 555410059 /nfs/dbraw/zinc/41/00/59/555410059.db2.gz ODGAMAUKNWVEDA-MHZLTWQESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495891 555410063 /nfs/dbraw/zinc/41/00/63/555410063.db2.gz ODGAMAUKNWVEDA-MHZLTWQESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495925 555410101 /nfs/dbraw/zinc/41/01/01/555410101.db2.gz XKPOCFSNVNDKJF-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495925 555410103 /nfs/dbraw/zinc/41/01/03/555410103.db2.gz XKPOCFSNVNDKJF-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498493 555421247 /nfs/dbraw/zinc/42/12/47/555421247.db2.gz CRHQTRTXNYCAAL-QHCPKHFHSA-N 1 1 450.631 5.110 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498513 555421522 /nfs/dbraw/zinc/42/15/22/555421522.db2.gz XAEKGHGULIUWNT-VWLOTQADSA-N 1 1 462.642 5.470 40 0 JKABMO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498517 555421617 /nfs/dbraw/zinc/42/16/17/555421617.db2.gz YXQVXNYWPOFDFF-MHZLTWQESA-N 1 1 484.648 5.380 40 0 JKABMO Cc1ccc2cc(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498517 555421619 /nfs/dbraw/zinc/42/16/19/555421619.db2.gz YXQVXNYWPOFDFF-MHZLTWQESA-N 1 1 484.648 5.380 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498548 555422016 /nfs/dbraw/zinc/42/20/16/555422016.db2.gz JYIBESLALBFOBE-HHHXNRCGSA-N 1 1 484.648 5.403 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498587 555422495 /nfs/dbraw/zinc/42/24/95/555422495.db2.gz IJZCBRSUWBBLHE-MUUNZHRXSA-N 1 1 498.675 5.598 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498588 555422582 /nfs/dbraw/zinc/42/25/82/555422582.db2.gz IJZCBRSUWBBLHE-NDEPHWFRSA-N 1 1 498.675 5.598 40 0 JKABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013498646 555422952 /nfs/dbraw/zinc/42/29/52/555422952.db2.gz QRUMXSNTOILEPY-RUZDIDTESA-N 1 1 478.641 5.170 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000013498892 555426000 /nfs/dbraw/zinc/42/60/00/555426000.db2.gz SRWWWUQYVVCLSC-HHHXNRCGSA-N 1 1 490.696 6.169 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000013498969 555426740 /nfs/dbraw/zinc/42/67/40/555426740.db2.gz JIGCSUOOOSSTNJ-SANMLTNESA-N 1 1 488.636 5.305 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499028 555427177 /nfs/dbraw/zinc/42/71/77/555427177.db2.gz SZROGXUMJYBPSS-AREMUKBSSA-N 1 1 476.669 5.779 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499031 555427309 /nfs/dbraw/zinc/42/73/09/555427309.db2.gz TVLWEFCELCXHBQ-VWLOTQADSA-N 1 1 462.642 5.388 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499056 555427604 /nfs/dbraw/zinc/42/76/04/555427604.db2.gz CRRGOKLCDNXFMD-MUUNZHRXSA-N 1 1 498.675 5.712 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013499057 555427717 /nfs/dbraw/zinc/42/77/17/555427717.db2.gz CRRGOKLCDNXFMD-NDEPHWFRSA-N 1 1 498.675 5.712 40 0 JKABMO Cc1cc(C)c2cc(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499033 555427733 /nfs/dbraw/zinc/42/77/33/555427733.db2.gz UHXJEEPXCZMYDH-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499033 555427735 /nfs/dbraw/zinc/42/77/35/555427735.db2.gz UHXJEEPXCZMYDH-NDEPHWFRSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000013499139 555428482 /nfs/dbraw/zinc/42/84/82/555428482.db2.gz UERMRJRWSQXSKQ-MHZLTWQESA-N 1 1 490.696 6.169 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499242 555429562 /nfs/dbraw/zinc/42/95/62/555429562.db2.gz WNMRAPLZTZTVIN-VWLOTQADSA-N 1 1 462.642 5.478 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499298 555429772 /nfs/dbraw/zinc/42/97/72/555429772.db2.gz XOFXBZRIXINQFA-VWLOTQADSA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499295 555429803 /nfs/dbraw/zinc/42/98/03/555429803.db2.gz OARZZDPAJCJFAD-AREMUKBSSA-N 1 1 476.669 6.004 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499271 555430004 /nfs/dbraw/zinc/43/00/04/555430004.db2.gz CWJFAIODYDIQTD-HSZRJFAPSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499336 555430975 /nfs/dbraw/zinc/43/09/75/555430975.db2.gz ZZBIORQIWJCENV-NDEPHWFRSA-N 1 1 498.675 5.742 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499446 555431249 /nfs/dbraw/zinc/43/12/49/555431249.db2.gz LMPHOZTZYPSNMZ-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499446 555431251 /nfs/dbraw/zinc/43/12/51/555431251.db2.gz LMPHOZTZYPSNMZ-SANMLTNESA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499477 555431688 /nfs/dbraw/zinc/43/16/88/555431688.db2.gz ORHYBRRCCSEXAQ-HHHXNRCGSA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499467 555431804 /nfs/dbraw/zinc/43/18/04/555431804.db2.gz DODOPCQAAUTLQE-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499526 555432650 /nfs/dbraw/zinc/43/26/50/555432650.db2.gz HCFTUTPXYOHRQJ-VWLOTQADSA-N 1 1 474.609 5.059 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499587 555433042 /nfs/dbraw/zinc/43/30/42/555433042.db2.gz OREPGGHJVJVOHO-HHHXNRCGSA-N 1 1 484.648 5.466 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500066 555435918 /nfs/dbraw/zinc/43/59/18/555435918.db2.gz BAAALFQOJCXVNQ-VWLOTQADSA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500088 555436444 /nfs/dbraw/zinc/43/64/44/555436444.db2.gz WVQMSPHAHCDTST-VWLOTQADSA-N 1 1 488.636 5.449 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500118 555436812 /nfs/dbraw/zinc/43/68/12/555436812.db2.gz CVZUPEHYUAHNGM-DEOSSOPVSA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500140 555436894 /nfs/dbraw/zinc/43/68/94/555436894.db2.gz CEFOOYDUMCAZDK-SANMLTNESA-N 1 1 470.621 5.157 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500152 555437317 /nfs/dbraw/zinc/43/73/17/555437317.db2.gz SBLLAVNZAOWSAY-QHCPKHFHSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500168 555437359 /nfs/dbraw/zinc/43/73/59/555437359.db2.gz PUCIMFOLQQDEET-NDEPHWFRSA-N 1 1 498.675 5.742 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500189 555437687 /nfs/dbraw/zinc/43/76/87/555437687.db2.gz HZDBGBZWFUOVGW-RUZDIDTESA-N 1 1 494.684 5.735 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500498 555441063 /nfs/dbraw/zinc/44/10/63/555441063.db2.gz OVVWHKGGZOCVGL-AREMUKBSSA-N 1 1 486.664 5.410 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500498 555441069 /nfs/dbraw/zinc/44/10/69/555441069.db2.gz OVVWHKGGZOCVGL-AREMUKBSSA-N 1 1 486.664 5.410 40 0 JKABMO Cc1cccc(CC[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)c1 ZINC000013500520 555441129 /nfs/dbraw/zinc/44/11/29/555441129.db2.gz HURWMVDSSMWAPH-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1cccc(CC[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)c1 ZINC000013500520 555441132 /nfs/dbraw/zinc/44/11/32/555441132.db2.gz HURWMVDSSMWAPH-MUUNZHRXSA-N 1 1 498.675 5.689 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500631 555442083 /nfs/dbraw/zinc/44/20/83/555442083.db2.gz XRPWNQMCCLYIJX-SANMLTNESA-N 1 1 470.621 5.013 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500608 555442100 /nfs/dbraw/zinc/44/21/00/555442100.db2.gz HBUNHLXCVCPUDR-AREMUKBSSA-N 1 1 470.621 5.013 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500610 555442126 /nfs/dbraw/zinc/44/21/26/555442126.db2.gz DDWXFPFNHMZZLG-AREMUKBSSA-N 1 1 488.611 5.152 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500645 555442544 /nfs/dbraw/zinc/44/25/44/555442544.db2.gz KEQJADBXYMITHP-VWLOTQADSA-N 1 1 462.642 5.470 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500644 555442588 /nfs/dbraw/zinc/44/25/88/555442588.db2.gz KEQJADBXYMITHP-RUZDIDTESA-N 1 1 462.642 5.470 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500984 555445874 /nfs/dbraw/zinc/44/58/74/555445874.db2.gz KVHJCBFFQDNHJU-AREMUKBSSA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500984 555445879 /nfs/dbraw/zinc/44/58/79/555445879.db2.gz KVHJCBFFQDNHJU-AREMUKBSSA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500978 555445987 /nfs/dbraw/zinc/44/59/87/555445987.db2.gz MFBDYQOGKNYAML-AREMUKBSSA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500978 555445989 /nfs/dbraw/zinc/44/59/89/555445989.db2.gz MFBDYQOGKNYAML-AREMUKBSSA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500991 555446234 /nfs/dbraw/zinc/44/62/34/555446234.db2.gz GLXCASIMDXENFB-NDEPHWFRSA-N 1 1 498.675 5.914 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500991 555446236 /nfs/dbraw/zinc/44/62/36/555446236.db2.gz GLXCASIMDXENFB-NDEPHWFRSA-N 1 1 498.675 5.914 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501083 555447166 /nfs/dbraw/zinc/44/71/66/555447166.db2.gz GZZGJMJUZOIQJE-QHCPKHFHSA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501127 555447725 /nfs/dbraw/zinc/44/77/25/555447725.db2.gz JBNLADRCUHHQJP-VWLOTQADSA-N 1 1 488.611 5.296 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501133 555447803 /nfs/dbraw/zinc/44/78/03/555447803.db2.gz HVAKWGMSCMYBTQ-SANMLTNESA-N 1 1 484.648 5.352 40 0 JKABMO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501228 555448488 /nfs/dbraw/zinc/44/84/88/555448488.db2.gz LOALPTINUCTJBJ-UHFFFAOYSA-N 1 1 496.659 5.452 40 0 JKABMO COc1ccc(CN(CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013511576 555483248 /nfs/dbraw/zinc/48/32/48/555483248.db2.gz QMYJRGWDZJUCJC-TYPXCFOJSA-N 1 1 452.639 5.032 40 0 JKABMO Cc1ccc2[nH+]c(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c(NC3CCCCC3)n2c1 ZINC000013563565 555498665 /nfs/dbraw/zinc/49/86/65/555498665.db2.gz SVVWJIZLKGLNLH-UHFFFAOYSA-N 1 1 474.008 7.352 40 0 JKABMO Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C[NH+]5CCCCCC5)n4)ccc32)cc1 ZINC000013564975 555500694 /nfs/dbraw/zinc/50/06/94/555500694.db2.gz CVCSORFACAGOGV-UHFFFAOYSA-N 1 1 474.630 5.136 40 0 JKABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000013565804 555502817 /nfs/dbraw/zinc/50/28/17/555502817.db2.gz SNQLNDFZWZXWCG-UHFFFAOYSA-N 1 1 466.651 5.094 40 0 JKABMO O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013687727 555580836 /nfs/dbraw/zinc/58/08/36/555580836.db2.gz GSPGBYVFKAUCRU-UHFFFAOYSA-N 1 1 497.038 6.466 40 0 JKABMO C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013708529 555588933 /nfs/dbraw/zinc/58/89/33/555588933.db2.gz SSFUTKRKXXJPMZ-HSZRJFAPSA-N 1 1 450.582 5.541 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)C1 ZINC000020106016 555639668 /nfs/dbraw/zinc/63/96/68/555639668.db2.gz VPRBACHVRVQXAN-JOCHJYFZSA-N 1 1 468.641 6.699 40 0 JKABMO Cc1cc(Cl)ccc1OCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013950311 555659043 /nfs/dbraw/zinc/65/90/43/555659043.db2.gz NCOKFDZPXSVGTB-UHFFFAOYSA-N 1 1 463.021 5.741 40 0 JKABMO Cc1c(Cl)cccc1-n1c(=O)c2c([nH]c1=S)sc1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000014162736 555716775 /nfs/dbraw/zinc/71/67/75/555716775.db2.gz GZBIDZARDVSFFF-UHFFFAOYSA-N 1 1 454.020 5.630 40 0 JKABMO Cc1c(Cl)cccc1-n1c(=O)c2c([nH]c1=S)sc1c2CC[N@H+](Cc2ccccc2)C1 ZINC000014162736 555716776 /nfs/dbraw/zinc/71/67/76/555716776.db2.gz GZBIDZARDVSFFF-UHFFFAOYSA-N 1 1 454.020 5.630 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000020241864 555737606 /nfs/dbraw/zinc/73/76/06/555737606.db2.gz NYOFNGSDAVDBRE-UHFFFAOYSA-N 1 1 451.570 5.423 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000020241862 555737730 /nfs/dbraw/zinc/73/77/30/555737730.db2.gz CFGNHIZUBHYJBX-UHFFFAOYSA-N 1 1 480.406 5.032 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1 ZINC000020241860 555737774 /nfs/dbraw/zinc/73/77/74/555737774.db2.gz LPTZZZRWARTTSV-UHFFFAOYSA-N 1 1 480.406 5.032 40 0 JKABMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014273625 555773900 /nfs/dbraw/zinc/77/39/00/555773900.db2.gz FOFCNASETHZYFB-UHFFFAOYSA-N 1 1 470.400 5.333 40 0 JKABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)cc1 ZINC000014277059 555785116 /nfs/dbraw/zinc/78/51/16/555785116.db2.gz UISAJVHLYMOCBD-UHFFFAOYSA-N 1 1 499.467 5.442 40 0 JKABMO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014291054 555791873 /nfs/dbraw/zinc/79/18/73/555791873.db2.gz JDMDJMXKULLGFO-UHFFFAOYSA-N 1 1 478.036 6.093 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc2c(Cl)cccc12 ZINC000014291041 555791886 /nfs/dbraw/zinc/79/18/86/555791886.db2.gz VORDLXLCEVALEO-UHFFFAOYSA-N 1 1 490.434 6.721 40 0 JKABMO O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000021595860 555853992 /nfs/dbraw/zinc/85/39/92/555853992.db2.gz RZKQXYAWWLKMED-BMRADRMJSA-N 1 1 481.571 6.060 40 0 JKABMO Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc32)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000015017770 555858935 /nfs/dbraw/zinc/85/89/35/555858935.db2.gz AKCCJWJZPSTSQM-XTEPFMGCSA-N 1 1 474.004 5.237 40 0 JKABMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccccc1Cl ZINC000022076335 555871309 /nfs/dbraw/zinc/87/13/09/555871309.db2.gz YWQJVRGVJOJYPQ-UHFFFAOYSA-N 1 1 450.760 5.963 40 0 JKABMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(OC)c(OC)cc21 ZINC000015150973 555880803 /nfs/dbraw/zinc/88/08/03/555880803.db2.gz FBRKYRSUSJWLHH-HMHJJOSWSA-N 1 1 478.633 5.102 40 0 biogenic,in-vitro JKABMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000015307454 555895659 /nfs/dbraw/zinc/89/56/59/555895659.db2.gz IYNMXBSBEXKXJZ-GOSISDBHSA-N 1 1 460.386 5.115 40 0 JKABMO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000015441097 555909129 /nfs/dbraw/zinc/90/91/29/555909129.db2.gz DSAYOBQULYPJFC-VWLOTQADSA-N 1 1 494.632 6.121 40 0 JKABMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c1C ZINC000023292201 556038303 /nfs/dbraw/zinc/03/83/03/556038303.db2.gz RCIMKKUMMKTBET-QHCPKHFHSA-N 1 1 454.039 5.607 40 0 JKABMO CCOc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@H+]1CC ZINC000012635663 556094701 /nfs/dbraw/zinc/09/47/01/556094701.db2.gz BHNGUYDXUPDCOT-QHCPKHFHSA-N 1 1 492.689 5.227 40 0 JKABMO Cc1nc2cc(F)ccc2n1C1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000012640316 556096406 /nfs/dbraw/zinc/09/64/06/556096406.db2.gz IDQJPWULUTYDAC-UHFFFAOYSA-N 1 1 458.537 5.552 40 0 JKABMO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N(c1ccccc1)c1ccccc1 ZINC000012643916 556096758 /nfs/dbraw/zinc/09/67/58/556096758.db2.gz CGJKTSRAWOCHMR-NVCFSDIOSA-N 1 1 467.613 5.475 40 0 JKABMO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N(c1ccccc1)c1ccccc1 ZINC000012643916 556096760 /nfs/dbraw/zinc/09/67/60/556096760.db2.gz CGJKTSRAWOCHMR-NVCFSDIOSA-N 1 1 467.613 5.475 40 0 JKABMO OCCN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768365 556158855 /nfs/dbraw/zinc/15/88/55/556158855.db2.gz RSCNCEOHKJDQHQ-UHFFFAOYSA-N 1 1 499.412 5.849 40 0 JKABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(CCO)Cc2ccccc2)cc1 ZINC000016768373 556158869 /nfs/dbraw/zinc/15/88/69/556158869.db2.gz MMOZICUCDQNNNB-UHFFFAOYSA-N 1 1 464.569 5.485 40 0 JKABMO CC[N@H+]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccc(Cl)cc32)C1 ZINC000016975446 556193942 /nfs/dbraw/zinc/19/39/42/556193942.db2.gz CLNJAJQEVNAMSW-OAHLLOKOSA-N 1 1 450.801 6.230 40 0 JKABMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025575444 556222488 /nfs/dbraw/zinc/22/24/88/556222488.db2.gz XUYWHPLJOIXBAC-ZEQRLZLVSA-N 1 1 477.351 5.806 40 0 JKABMO CC[NH+](CC)CC[C@@H](CNc1c(C)cnc2cc(Cl)ccc21)c1ccc(Cl)c(Cl)c1 ZINC000017146727 556226435 /nfs/dbraw/zinc/22/64/35/556226435.db2.gz HMWGASGKQAVXQS-SFHVURJKSA-N 1 1 464.868 7.431 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3C(C)(C)CC)C3CCCCC3)cc2c1 ZINC000013034014 556232218 /nfs/dbraw/zinc/23/22/18/556232218.db2.gz JVPSOHUQVHULHK-DEOSSOPVSA-N 1 1 464.658 5.508 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063796 556261102 /nfs/dbraw/zinc/26/11/02/556261102.db2.gz NOFGDGZKAWVPNR-HSZRJFAPSA-N 1 1 450.631 5.254 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013063740 556261213 /nfs/dbraw/zinc/26/12/13/556261213.db2.gz CVYLMXQLSJXPDC-SANMLTNESA-N 1 1 488.611 5.160 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013063740 556261214 /nfs/dbraw/zinc/26/12/14/556261214.db2.gz CVYLMXQLSJXPDC-SANMLTNESA-N 1 1 488.611 5.160 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064268 556261953 /nfs/dbraw/zinc/26/19/53/556261953.db2.gz FJYRZPNMYSIZMX-VWLOTQADSA-N 1 1 478.641 5.314 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064646 556262250 /nfs/dbraw/zinc/26/22/50/556262250.db2.gz FOJSPEQPQMDTHB-HHHXNRCGSA-N 1 1 484.648 5.466 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064580 556262334 /nfs/dbraw/zinc/26/23/34/556262334.db2.gz URIQKFZOOIBPBS-QHCPKHFHSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064580 556262339 /nfs/dbraw/zinc/26/23/39/556262339.db2.gz URIQKFZOOIBPBS-QHCPKHFHSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064612 556262360 /nfs/dbraw/zinc/26/23/60/556262360.db2.gz PMKCGHPYTSKRLT-SANMLTNESA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064597 556262380 /nfs/dbraw/zinc/26/23/80/556262380.db2.gz TYEOIYSNYMWRDA-HHHXNRCGSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064597 556262384 /nfs/dbraw/zinc/26/23/84/556262384.db2.gz TYEOIYSNYMWRDA-HHHXNRCGSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064698 556262858 /nfs/dbraw/zinc/26/28/58/556262858.db2.gz JHODLFBGIPOEKN-AREMUKBSSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064698 556262860 /nfs/dbraw/zinc/26/28/60/556262860.db2.gz JHODLFBGIPOEKN-AREMUKBSSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064851 556262886 /nfs/dbraw/zinc/26/28/86/556262886.db2.gz MFZQMZYWEVAYPL-NDEPHWFRSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064851 556262888 /nfs/dbraw/zinc/26/28/88/556262888.db2.gz MFZQMZYWEVAYPL-NDEPHWFRSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064828 556262928 /nfs/dbraw/zinc/26/29/28/556262928.db2.gz QTFCIJJYRYMHEW-HHHXNRCGSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064828 556262930 /nfs/dbraw/zinc/26/29/30/556262930.db2.gz QTFCIJJYRYMHEW-HHHXNRCGSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065024 556263223 /nfs/dbraw/zinc/26/32/23/556263223.db2.gz WUEJJMHSDSEREO-HSZRJFAPSA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065052 556263241 /nfs/dbraw/zinc/26/32/41/556263241.db2.gz OOTLNOFTGHGYMU-XMMPIXPASA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065052 556263242 /nfs/dbraw/zinc/26/32/42/556263242.db2.gz OOTLNOFTGHGYMU-XMMPIXPASA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065067 556263754 /nfs/dbraw/zinc/26/37/54/556263754.db2.gz JDTZUKADIUHMFB-SANMLTNESA-N 1 1 484.648 5.466 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065210 556263781 /nfs/dbraw/zinc/26/37/81/556263781.db2.gz DJPVWYMMIHLOOM-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065210 556263788 /nfs/dbraw/zinc/26/37/88/556263788.db2.gz DJPVWYMMIHLOOM-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCCCn1nnnc1COc1nc(C[NH+]2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC000028616738 556336902 /nfs/dbraw/zinc/33/69/02/556336902.db2.gz NRZVIUDTQBSREH-UHFFFAOYSA-N 1 1 483.667 5.017 40 0 JKABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000030758025 556373866 /nfs/dbraw/zinc/37/38/66/556373866.db2.gz OXKITNFUXXPDCC-LJAQVGFWSA-N 1 1 464.609 5.931 40 0 JKABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000030758020 556373920 /nfs/dbraw/zinc/37/39/20/556373920.db2.gz OXKITNFUXXPDCC-GDLZYMKVSA-N 1 1 464.609 5.931 40 0 JKABMO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000030855773 556379851 /nfs/dbraw/zinc/37/98/51/556379851.db2.gz XJMGSDFDROAKJF-FQEVSTJZSA-N 1 1 491.657 5.588 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030943340 556389104 /nfs/dbraw/zinc/38/91/04/556389104.db2.gz GWIDONIBWFTWTL-LJQANCHMSA-N 1 1 463.405 5.801 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030943340 556389108 /nfs/dbraw/zinc/38/91/08/556389108.db2.gz GWIDONIBWFTWTL-LJQANCHMSA-N 1 1 463.405 5.801 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943178 556389230 /nfs/dbraw/zinc/38/92/30/556389230.db2.gz RTFBRAMBFKBAIJ-HXUWFJFHSA-N 1 1 467.396 6.075 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943178 556389232 /nfs/dbraw/zinc/38/92/32/556389232.db2.gz RTFBRAMBFKBAIJ-HXUWFJFHSA-N 1 1 467.396 6.075 40 0 JKABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425533 560080749 /nfs/dbraw/zinc/08/07/49/560080749.db2.gz LXXDVXBTGMWVEE-QHCPKHFHSA-N 1 1 461.566 5.139 40 0 biogenic,in-vitro JKABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425533 560080750 /nfs/dbraw/zinc/08/07/50/560080750.db2.gz LXXDVXBTGMWVEE-QHCPKHFHSA-N 1 1 461.566 5.139 40 0 biogenic,in-vitro JKABMO COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1cc[nH+]c(N)c1 ZINC000038255464 563133579 /nfs/dbraw/zinc/13/35/79/563133579.db2.gz ZXBFYBLSJMEBEP-UHFFFAOYSA-N 1 1 466.339 5.082 40 0 investigational JKABMO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccncc2)CC1 ZINC000054281432 569589776 /nfs/dbraw/zinc/58/97/76/569589776.db2.gz ZQTJDFBJVRUZFS-DEOSSOPVSA-N 1 1 477.630 5.377 40 0 JKABMO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4[N@@H+](C)[C@@H](Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615756 569592276 /nfs/dbraw/zinc/59/22/76/569592276.db2.gz FBNPCQXAZFRQOI-BXGWUYTNSA-N 1 1 477.821 9.013 40 0 JKABMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000057335670 569599086 /nfs/dbraw/zinc/59/90/86/569599086.db2.gz OXGPEBVNOWKSKI-UHFFFAOYSA-N 1 1 481.999 5.597 40 0 JKABMO O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059559032 569606814 /nfs/dbraw/zinc/60/68/14/569606814.db2.gz CAYFSECPTPEHQU-XNTDXEJSSA-N 1 1 491.060 5.189 40 0 JKABMO O=C(COc1ccccc1Cl)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059557277 569606818 /nfs/dbraw/zinc/60/68/18/569606818.db2.gz VSINMADOEOQEDH-UHFFFAOYSA-N 1 1 470.400 5.333 40 0 JKABMO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059559200 569606860 /nfs/dbraw/zinc/60/68/60/569606860.db2.gz LNRJNVOZZZONBE-UHFFFAOYSA-N 1 1 492.063 6.112 40 0 JKABMO Fc1ccccc1COc1ccc(Br)cc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033662165 569630119 /nfs/dbraw/zinc/63/01/19/569630119.db2.gz MUEXNXRHMDWDIY-UHFFFAOYSA-N 1 1 499.449 5.661 40 0 JKABMO Cc1ccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Br)cc1 ZINC000033672315 569630580 /nfs/dbraw/zinc/63/05/80/569630580.db2.gz BSERUPDLJUXWBB-UHFFFAOYSA-N 1 1 495.486 5.830 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1 ZINC000033699701 569631024 /nfs/dbraw/zinc/63/10/24/569631024.db2.gz ZYYKYCXRIUIGII-UHFFFAOYSA-N 1 1 499.051 5.950 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1cccc(Cl)c1 ZINC000033710247 569631304 /nfs/dbraw/zinc/63/13/04/569631304.db2.gz ZNEJWXDOCWKLKJ-UHFFFAOYSA-N 1 1 481.061 5.811 40 0 JKABMO S=C(c1cc(Br)ccc1OCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034746585 569655673 /nfs/dbraw/zinc/65/56/73/569655673.db2.gz RECMNCRXPLVNFY-UHFFFAOYSA-N 1 1 481.459 5.521 40 0 JKABMO S=C(c1ccc(OCc2cccc3ccccc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034896651 569669568 /nfs/dbraw/zinc/66/95/68/569669568.db2.gz KYQDELZQPOCQNQ-UHFFFAOYSA-N 1 1 452.623 5.912 40 0 JKABMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035031505 569673921 /nfs/dbraw/zinc/67/39/21/569673921.db2.gz MYBALPAZTSJIAM-HOLBEBDISA-N 1 1 464.694 5.232 40 0 JKABMO CN(C)C(=O)C(CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000065739662 569676414 /nfs/dbraw/zinc/67/64/14/569676414.db2.gz UUHAGHSPKICYQY-UHFFFAOYSA-N 1 1 459.033 5.894 40 0 in-vitro JKABMO Cc1ccc(S[C@@]2(C[N@@H+]3CCC[C@H](C)C3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000035189678 569677920 /nfs/dbraw/zinc/67/79/20/569677920.db2.gz OKVDLFGJKAENGO-XDHUDOTRSA-N 1 1 474.464 5.904 40 0 JKABMO Cc1cc2c(cc1Br)C(=O)[C@@](C[N@@H+]1CCC[C@H](C)C1)(Sc1ccccc1)CO2 ZINC000035392017 569687016 /nfs/dbraw/zinc/68/70/16/569687016.db2.gz BJMSWBIHQDIOAG-HJPURHCSSA-N 1 1 460.437 5.596 40 0 JKABMO C[N@H+]1CCCC[C@H](n2cc(C(=O)c3ccccc3I)c3ccccc32)C1 ZINC000095705004 569728586 /nfs/dbraw/zinc/72/85/86/569728586.db2.gz GSXZMBIYSUZVEW-INIZCTEOSA-N 1 1 458.343 5.134 40 0 in-vitro JKABMO O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCC[N@H+]2CC(c2ccccc2)c2ccccc2)C1 ZINC000096214610 569738373 /nfs/dbraw/zinc/73/83/73/569738373.db2.gz PXDOZVQEEAQSSM-GDLZYMKVSA-N 1 1 474.670 5.279 40 0 JKABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096214566 569738384 /nfs/dbraw/zinc/73/83/84/569738384.db2.gz PYVXOAUDNWJGSL-GDLZYMKVSA-N 1 1 459.033 6.207 40 0 JKABMO O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2CC(c2ccccc2)c2ccccc2)C1 ZINC000096214611 569738444 /nfs/dbraw/zinc/73/84/44/569738444.db2.gz PXDOZVQEEAQSSM-LJAQVGFWSA-N 1 1 474.670 5.279 40 0 JKABMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000097993237 569748648 /nfs/dbraw/zinc/74/86/48/569748648.db2.gz ZGYQVMZTTCMRKW-BQOYEABESA-N 1 1 497.470 5.364 40 0 JKABMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000097993238 569748703 /nfs/dbraw/zinc/74/87/03/569748703.db2.gz ZGYQVMZTTCMRKW-SCXLDTLNSA-N 1 1 497.470 5.364 40 0 JKABMO COc1cc(C[NH2+]Cc2ccccc2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000036612577 569777788 /nfs/dbraw/zinc/77/77/88/569777788.db2.gz SWECBFFMWRSVDI-UHFFFAOYSA-N 1 1 469.379 5.073 40 0 JKABMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000036628126 569779014 /nfs/dbraw/zinc/77/90/14/569779014.db2.gz JQFCVPDVXOURJW-UHFFFAOYSA-N 1 1 489.579 5.059 40 0 JKABMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2)CC1 ZINC000036628540 569779186 /nfs/dbraw/zinc/77/91/86/569779186.db2.gz ZFJWTKYMMZFTKC-UHFFFAOYSA-N 1 1 489.579 5.059 40 0 JKABMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2cccs2)CC1 ZINC000036628572 569779189 /nfs/dbraw/zinc/77/91/89/569779189.db2.gz KRBXPFDITXVARC-UHFFFAOYSA-N 1 1 495.608 5.120 40 0 JKABMO COc1cc2c(cc1OC[C@@H]1C[C@H]3C[N@@H+](C)C[C@H]3C1)ncnc2Nc1ccc(Cl)c(Cl)c1F ZINC000101781468 569804915 /nfs/dbraw/zinc/80/49/15/569804915.db2.gz HVXKQKFEHMGHSL-QDMKHBRRSA-N 1 1 491.394 5.795 40 0 in-vitro JKABMO O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038752925 569806334 /nfs/dbraw/zinc/80/63/34/569806334.db2.gz BTSMWXYMIUMXNU-UHFFFAOYSA-N 1 1 487.647 5.797 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834825 569808737 /nfs/dbraw/zinc/80/87/37/569808737.db2.gz JBYPQWOVUOCMLY-CQSZACIVSA-N 1 1 489.184 5.449 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834825 569808738 /nfs/dbraw/zinc/80/87/38/569808738.db2.gz JBYPQWOVUOCMLY-CQSZACIVSA-N 1 1 489.184 5.449 40 0 JKABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833091 569808759 /nfs/dbraw/zinc/80/87/59/569808759.db2.gz YMVFQVRERUXRLF-QHCPKHFHSA-N 1 1 467.440 6.434 40 0 JKABMO C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000038855987 569808968 /nfs/dbraw/zinc/80/89/68/569808968.db2.gz SUAYVLNUIQOSDK-VXKWHMMOSA-N 1 1 455.602 5.662 40 0 JKABMO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038860796 569808990 /nfs/dbraw/zinc/80/89/90/569808990.db2.gz QEROVJACIVGLEM-IBGZPJMESA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccc(CSc2ccccc2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755609 569811392 /nfs/dbraw/zinc/81/13/92/569811392.db2.gz NYUSIFBRDAVINP-UHFFFAOYSA-N 1 1 469.025 6.622 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccccc1Cl ZINC000108920014 569859821 /nfs/dbraw/zinc/85/98/21/569859821.db2.gz UWCXQUMDAQOTIS-UHFFFAOYSA-N 1 1 481.061 5.811 40 0 JKABMO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)c1 ZINC000216328787 569878312 /nfs/dbraw/zinc/87/83/12/569878312.db2.gz VTEBBOHXDUSCRL-OAQYLSRUSA-N 1 1 477.630 5.280 40 0 JKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223103945 569899560 /nfs/dbraw/zinc/89/95/60/569899560.db2.gz IIBMQGXWDYAHLX-RUZDIDTESA-N 1 1 459.461 6.352 40 0 JKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104319 569899567 /nfs/dbraw/zinc/89/95/67/569899567.db2.gz ZBVXHVRQSXHKIN-VWLOTQADSA-N 1 1 459.461 6.352 40 0 JKABMO C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000223300331 569906640 /nfs/dbraw/zinc/90/66/40/569906640.db2.gz XQJOMTAZYGJIRX-QHCPKHFHSA-N 1 1 454.614 5.267 40 0 JKABMO COc1ccc(-c2nnc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)s2)cc1 ZINC000223525047 569914523 /nfs/dbraw/zinc/91/45/23/569914523.db2.gz VXGJJNQWVJMSDT-UHFFFAOYSA-N 1 1 456.571 5.024 40 0 JKABMO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000223555373 569915828 /nfs/dbraw/zinc/91/58/28/569915828.db2.gz ILLWGNUIUVIJGJ-UHFFFAOYSA-N 1 1 457.401 5.554 40 0 JKABMO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000223625855 569918234 /nfs/dbraw/zinc/91/82/34/569918234.db2.gz SDWJJVGGBKLJJI-UHFFFAOYSA-N 1 1 457.401 5.554 40 0 JKABMO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 ZINC000223682454 569919831 /nfs/dbraw/zinc/91/98/31/569919831.db2.gz CPUHPKNYEXRCEK-HSZRJFAPSA-N 1 1 475.460 6.404 40 0 JKABMO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000223717401 569920979 /nfs/dbraw/zinc/92/09/79/569920979.db2.gz IHAVRYLNOICVSK-UHFFFAOYSA-N 1 1 463.449 5.698 40 0 JKABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1Cl ZINC000224168059 569935140 /nfs/dbraw/zinc/93/51/40/569935140.db2.gz KMHBTOCEGYGACA-UHFFFAOYSA-N 1 1 455.813 5.362 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224209045 569936584 /nfs/dbraw/zinc/93/65/84/569936584.db2.gz JYHFQKKCQJWDLD-UHFFFAOYSA-N 1 1 464.993 5.194 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc2ccccc21 ZINC000224305551 569939904 /nfs/dbraw/zinc/93/99/04/569939904.db2.gz SKPVUWKJMHJZEF-UHFFFAOYSA-N 1 1 466.581 5.385 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1Cl ZINC000224481564 569945836 /nfs/dbraw/zinc/94/58/36/569945836.db2.gz NPNYYWDBDFGLEN-UHFFFAOYSA-N 1 1 464.993 5.276 40 0 JKABMO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224545176 569947906 /nfs/dbraw/zinc/94/79/06/569947906.db2.gz OMWMGDJDGGHBFU-UHFFFAOYSA-N 1 1 453.369 6.744 40 0 JKABMO O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224547542 569948017 /nfs/dbraw/zinc/94/80/17/569948017.db2.gz SPNRXPRMTYGORH-UHFFFAOYSA-N 1 1 463.375 6.199 40 0 JKABMO CCn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4c(Cl)cccc4Cl)CC3)ccc21 ZINC000225110982 569975529 /nfs/dbraw/zinc/97/55/29/569975529.db2.gz VYQQTUUEKZKMOY-UHFFFAOYSA-N 1 1 464.418 5.240 40 0 JKABMO CCn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4Cl)CC3)ccc21 ZINC000225110929 569975548 /nfs/dbraw/zinc/97/55/48/569975548.db2.gz VTWLKXOBQLJJSE-UHFFFAOYSA-N 1 1 464.418 5.240 40 0 JKABMO CC(C)n1c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2sc1=O ZINC000225132162 569977170 /nfs/dbraw/zinc/97/71/70/569977170.db2.gz VGSIHJCIURDABW-UHFFFAOYSA-N 1 1 457.599 5.455 40 0 JKABMO CC(C)n1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4ccc(Br)cc4)CC3)ccc21 ZINC000225166411 569979542 /nfs/dbraw/zinc/97/95/42/569979542.db2.gz PUSNSMLMOLOUJL-UHFFFAOYSA-N 1 1 488.451 5.257 40 0 JKABMO O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225258381 569986391 /nfs/dbraw/zinc/98/63/91/569986391.db2.gz QFLRCMDPZMWUPP-UHFFFAOYSA-N 1 1 472.592 5.777 40 0 JKABMO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)s2)cc1 ZINC000225436837 569996746 /nfs/dbraw/zinc/99/67/46/569996746.db2.gz RSQRIVKGCKVUPY-UHFFFAOYSA-N 1 1 477.417 5.371 40 0 JKABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000225458224 569997653 /nfs/dbraw/zinc/99/76/53/569997653.db2.gz JZAJAUDZRPQKLW-UHFFFAOYSA-N 1 1 482.653 6.196 40 0 JKABMO O=C(CSCc1ccc(Cl)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225483314 569998932 /nfs/dbraw/zinc/99/89/32/569998932.db2.gz FEZHKOQYXVRVBA-UHFFFAOYSA-N 1 1 469.025 5.646 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 ZINC000225523663 570002285 /nfs/dbraw/zinc/00/22/85/570002285.db2.gz SGJOGBCVJZUUCQ-OAQYLSRUSA-N 1 1 455.042 6.291 40 0 JKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)C1 ZINC000225526712 570002558 /nfs/dbraw/zinc/00/25/58/570002558.db2.gz AUSDMFCENYVUGH-NRFANRHFSA-N 1 1 455.042 6.291 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225526779 570002687 /nfs/dbraw/zinc/00/26/87/570002687.db2.gz GBOBIXZFTZCLCI-NRFANRHFSA-N 1 1 455.042 6.434 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)cc2)C1 ZINC000225529019 570002892 /nfs/dbraw/zinc/00/28/92/570002892.db2.gz KQYWYTRKJVFSSB-LJQANCHMSA-N 1 1 475.460 6.555 40 0 JKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)cc2)C1 ZINC000225529054 570002916 /nfs/dbraw/zinc/00/29/16/570002916.db2.gz KQYWYTRKJVFSSB-IBGZPJMESA-N 1 1 475.460 6.555 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 ZINC000225545604 570004458 /nfs/dbraw/zinc/00/44/58/570004458.db2.gz FDYAFCPUPHGYOZ-JOCHJYFZSA-N 1 1 452.614 6.167 40 0 JKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 ZINC000225548515 570004795 /nfs/dbraw/zinc/00/47/95/570004795.db2.gz LVSNYKZQXWLEKU-QFIPXVFZSA-N 1 1 452.614 6.167 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225551467 570005129 /nfs/dbraw/zinc/00/51/29/570005129.db2.gz VSYWOMYMCQTMQR-QFIPXVFZSA-N 1 1 469.069 6.824 40 0 JKABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225554172 570005324 /nfs/dbraw/zinc/00/53/24/570005324.db2.gz RTYMGRYHZNCRIQ-UHFFFAOYSA-N 1 1 457.014 5.282 40 0 JKABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000225556731 570005463 /nfs/dbraw/zinc/00/54/63/570005463.db2.gz KDCGATQZEQDJNY-UHFFFAOYSA-N 1 1 491.459 5.935 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556406 570005469 /nfs/dbraw/zinc/00/54/69/570005469.db2.gz DJCHBEAIUYDNEA-HXUWFJFHSA-N 1 1 489.487 7.087 40 0 JKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCOCC2)c1 ZINC000225567238 570006294 /nfs/dbraw/zinc/00/62/94/570006294.db2.gz OPRCEEGDDHBDSO-HSZRJFAPSA-N 1 1 450.623 5.183 40 0 JKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@@H]4C)cc3)CCOCC2)cc1 ZINC000225569480 570006471 /nfs/dbraw/zinc/00/64/71/570006471.db2.gz KKOMLVOAFTXZAK-QHCPKHFHSA-N 1 1 450.623 5.325 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000225574708 570006768 /nfs/dbraw/zinc/00/67/68/570006768.db2.gz IZJYKFQFFWEUOJ-NRFANRHFSA-N 1 1 454.586 5.156 40 0 JKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)C1 ZINC000225574618 570006814 /nfs/dbraw/zinc/00/68/14/570006814.db2.gz ICLXPSCAWQGIJH-NRFANRHFSA-N 1 1 454.586 5.013 40 0 JKABMO O=C(Nc1ccc(CSc2ccccc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578263 570007150 /nfs/dbraw/zinc/00/71/50/570007150.db2.gz JKUOUFXDOAJVCY-UHFFFAOYSA-N 1 1 469.025 6.622 40 0 JKABMO O=C(NCCSCc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578760 570007155 /nfs/dbraw/zinc/00/71/55/570007155.db2.gz NXOZECSPDIXTTI-UHFFFAOYSA-N 1 1 489.871 6.048 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000225580416 570007245 /nfs/dbraw/zinc/00/72/45/570007245.db2.gz SITDYVPBGIQWAX-NRFANRHFSA-N 1 1 471.041 5.670 40 0 JKABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)C1 ZINC000225582173 570007425 /nfs/dbraw/zinc/00/74/25/570007425.db2.gz GFOBQOJDSVBRFY-IBGZPJMESA-N 1 1 491.459 5.791 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 ZINC000225582197 570007448 /nfs/dbraw/zinc/00/74/48/570007448.db2.gz KKKOQBBNVFMWHP-LJQANCHMSA-N 1 1 491.459 5.934 40 0 JKABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225583068 570007455 /nfs/dbraw/zinc/00/74/55/570007455.db2.gz ZQWHVPUPFMEBIB-RUZDIDTESA-N 1 1 465.707 6.156 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@@H]4C)cc3)CCOCC2)cc1 ZINC000225584621 570007715 /nfs/dbraw/zinc/00/77/15/570007715.db2.gz DTVHYRSNAFZWMH-QFIPXVFZSA-N 1 1 466.622 5.025 40 0 JKABMO Cc1cccc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c2ccccc2)c1 ZINC000225587611 570007875 /nfs/dbraw/zinc/00/78/75/570007875.db2.gz CVSBJVHETZTQAX-AREMUKBSSA-N 1 1 450.985 5.905 40 0 JKABMO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OCC ZINC000225588759 570007970 /nfs/dbraw/zinc/00/79/70/570007970.db2.gz BNASDCKDMLNPMT-QGZVFWFLSA-N 1 1 462.993 5.366 40 0 JKABMO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225590131 570008170 /nfs/dbraw/zinc/00/81/70/570008170.db2.gz XUXRRVVXGQFUNA-UHFFFAOYSA-N 1 1 477.367 5.053 40 0 JKABMO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225721334 570017625 /nfs/dbraw/zinc/01/76/25/570017625.db2.gz KKSVUTDNCWPNHV-UHFFFAOYSA-N 1 1 461.433 5.070 40 0 JKABMO CCOC(=O)C1(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4Cl)C3)cc2)CC1 ZINC000225907551 570026956 /nfs/dbraw/zinc/02/69/56/570026956.db2.gz ZGVZVFGCTKIKAJ-GOSISDBHSA-N 1 1 475.416 5.439 40 0 JKABMO CCOC(=O)C1(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4Cl)C3)cc2)CC1 ZINC000225907551 570026958 /nfs/dbraw/zinc/02/69/58/570026958.db2.gz ZGVZVFGCTKIKAJ-GOSISDBHSA-N 1 1 475.416 5.439 40 0 JKABMO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1)N1CCCC1 ZINC000225910537 570027133 /nfs/dbraw/zinc/02/71/33/570027133.db2.gz HBPCXEHGBBSFOO-IBGZPJMESA-N 1 1 474.432 5.009 40 0 JKABMO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1)N1CCCC1 ZINC000225910537 570027135 /nfs/dbraw/zinc/02/71/35/570027135.db2.gz HBPCXEHGBBSFOO-IBGZPJMESA-N 1 1 474.432 5.009 40 0 JKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909808 570027160 /nfs/dbraw/zinc/02/71/60/570027160.db2.gz YXKCMFRDRYPECB-LSDHHAIUSA-N 1 1 482.249 5.946 40 0 JKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909808 570027161 /nfs/dbraw/zinc/02/71/61/570027161.db2.gz YXKCMFRDRYPECB-LSDHHAIUSA-N 1 1 482.249 5.946 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000408827005 570052430 /nfs/dbraw/zinc/05/24/30/570052430.db2.gz FJRVRCICAZQZRO-UHFFFAOYSA-N 1 1 496.076 5.193 40 0 JKABMO C=C1[NH+]=C(SCc2ccccc2Cl)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985804 570092286 /nfs/dbraw/zinc/09/22/86/570092286.db2.gz BAOJCYCRJDKTGN-NRFANRHFSA-N 1 1 491.009 5.137 40 0 JKABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C(C)C)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991202 570094105 /nfs/dbraw/zinc/09/41/05/570094105.db2.gz PQBXMMWUDQDMNC-VWLOTQADSA-N 1 1 495.645 5.418 40 0 JKABMO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408993711 570094811 /nfs/dbraw/zinc/09/48/11/570094811.db2.gz XEBGGUHSJSZBKL-NRFANRHFSA-N 1 1 495.428 5.781 40 0 JKABMO COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](C5CCCCC5)C4)nc32)cc1 ZINC000257203164 570108817 /nfs/dbraw/zinc/10/88/17/570108817.db2.gz AOXMFCRBTDYRTQ-HSZRJFAPSA-N 1 1 476.665 5.218 40 0 JKABMO CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1 ZINC000257212735 570111879 /nfs/dbraw/zinc/11/18/79/570111879.db2.gz CESAQDHFUCXTSO-UHFFFAOYSA-N 1 1 468.726 6.818 40 0 JKABMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@]3(CN(CC(C)C)C(=O)N3c3ccccc3)C2)cc1 ZINC000257215891 570112849 /nfs/dbraw/zinc/11/28/49/570112849.db2.gz CSBUSAPNPMWCJH-DGPALRBDSA-N 1 1 453.630 5.931 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)c1 ZINC000257216997 570113247 /nfs/dbraw/zinc/11/32/47/570113247.db2.gz CXAWAFSCDNHSEW-UHFFFAOYSA-N 1 1 468.576 5.385 40 0 JKABMO CC(=O)Nc1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257218084 570113644 /nfs/dbraw/zinc/11/36/44/570113644.db2.gz DBUQRRBOIWIBNL-MFMCTBQISA-N 1 1 467.613 5.340 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1 ZINC000257227564 570116326 /nfs/dbraw/zinc/11/63/26/570116326.db2.gz FPYBJISBAWGINL-HSZRJFAPSA-N 1 1 454.549 5.461 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3cccc(Oc4cccc(F)c4)n3)C2)c1 ZINC000257236676 570119237 /nfs/dbraw/zinc/11/92/37/570119237.db2.gz HDEOYLCKHKFRHF-QHCPKHFHSA-N 1 1 470.548 5.586 40 0 JKABMO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C[N@@H+](C)Cc3ccccc3)cc1OC2(C)C ZINC000257237526 570119291 /nfs/dbraw/zinc/11/92/91/570119291.db2.gz HGXPIQUPRLRIGV-MVQDXTSDSA-N 1 1 471.641 6.925 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cn(C)cn3)C2)ccc1Cl ZINC000257243923 570121190 /nfs/dbraw/zinc/12/11/90/570121190.db2.gz IJDIYHIIXWBKFX-NDEPHWFRSA-N 1 1 495.067 5.092 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3cn(C)cn3)C2)ccc1Cl ZINC000257243923 570121191 /nfs/dbraw/zinc/12/11/91/570121191.db2.gz IJDIYHIIXWBKFX-NDEPHWFRSA-N 1 1 495.067 5.092 40 0 JKABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@H+](CCc1c[nH]c2ccccc12)Cc1ccccc1F ZINC000257247611 570122536 /nfs/dbraw/zinc/12/25/36/570122536.db2.gz IZTBHVFSMKYLMN-MPFGFTFXSA-N 1 1 457.593 5.033 40 0 JKABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@@H+](CCc1c[nH]c2ccccc12)Cc1ccccc1F ZINC000257247611 570122537 /nfs/dbraw/zinc/12/25/37/570122537.db2.gz IZTBHVFSMKYLMN-MPFGFTFXSA-N 1 1 457.593 5.033 40 0 JKABMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C)cc3)[C@@H]3CCN(C(=O)COC)C[C@@H]32)cc1 ZINC000257257226 570125376 /nfs/dbraw/zinc/12/53/76/570125376.db2.gz KOQISQYGNNHOQY-JFHPUIQFSA-N 1 1 482.668 5.687 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccc(Cl)cc3)n2)c1 ZINC000257257637 570125555 /nfs/dbraw/zinc/12/55/55/570125555.db2.gz KQMHHRBAUYPYRV-XMMPIXPASA-N 1 1 457.965 5.328 40 0 JKABMO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3ccc[nH]3)C2)ccc1Cl ZINC000257258161 570125673 /nfs/dbraw/zinc/12/56/73/570125673.db2.gz KSPOKLZPYIRLMV-MUUNZHRXSA-N 1 1 480.052 5.686 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3ccc[nH]3)C2)ccc1Cl ZINC000257258162 570125694 /nfs/dbraw/zinc/12/56/94/570125694.db2.gz KSPOKLZPYIRLMV-NDEPHWFRSA-N 1 1 480.052 5.686 40 0 JKABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C(C)C)c3ccccc23)C1 ZINC000257277679 570131876 /nfs/dbraw/zinc/13/18/76/570131876.db2.gz NYYOJJZPZCJCIX-FQEVSTJZSA-N 1 1 459.659 6.565 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2cc(F)cc(F)c2)C1 ZINC000257278856 570132316 /nfs/dbraw/zinc/13/23/16/570132316.db2.gz ODYDGMKVLCKONL-JWQCQUIFSA-N 1 1 486.946 5.002 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2cc(F)cc(F)c2)C1 ZINC000257278856 570132318 /nfs/dbraw/zinc/13/23/18/570132318.db2.gz ODYDGMKVLCKONL-JWQCQUIFSA-N 1 1 486.946 5.002 40 0 JKABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 ZINC000257281117 570132950 /nfs/dbraw/zinc/13/29/50/570132950.db2.gz ONRZJEPNLYFOQN-FQEVSTJZSA-N 1 1 486.542 5.208 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2cccc(Oc3cccc(F)c3)n2)C1 ZINC000257288531 570135158 /nfs/dbraw/zinc/13/51/58/570135158.db2.gz PUOHCGGGQLBZPC-QFIPXVFZSA-N 1 1 470.548 5.586 40 0 JKABMO CCc1ccc([C@H]2C[N@@H+](Cc3cccc(-c4ccccc4OC)c3)[C@@H]3CCN(C(=O)COC)C[C@@H]32)cc1 ZINC000257290387 570135727 /nfs/dbraw/zinc/13/57/27/570135727.db2.gz QCTXEPUSBUCTHD-IDZRBWSNSA-N 1 1 498.667 5.388 40 0 JKABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257314856 570142972 /nfs/dbraw/zinc/14/29/72/570142972.db2.gz UYURREVROSJCNH-JDXGNMNLSA-N 1 1 486.612 5.044 40 0 JKABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257314856 570142973 /nfs/dbraw/zinc/14/29/73/570142973.db2.gz UYURREVROSJCNH-JDXGNMNLSA-N 1 1 486.612 5.044 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000257328024 570146933 /nfs/dbraw/zinc/14/69/33/570146933.db2.gz XDUUEXBNJNSHEV-JWQCQUIFSA-N 1 1 484.518 5.090 40 0 JKABMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(-c4ccccc4OC)cc3)[C@@H]3CCN(C(=O)COC)C[C@@H]32)cc1 ZINC000257330379 570147672 /nfs/dbraw/zinc/14/76/72/570147672.db2.gz XOCSBPBQGNXVKC-IDZRBWSNSA-N 1 1 498.667 5.388 40 0 JKABMO Cc1cc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)c(C)s1 ZINC000257335356 570149194 /nfs/dbraw/zinc/14/91/94/570149194.db2.gz YJUVPPBDAPHSPZ-VWLOTQADSA-N 1 1 477.070 5.071 40 0 JKABMO Cc1cc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)c(C)s1 ZINC000257335356 570149195 /nfs/dbraw/zinc/14/91/95/570149195.db2.gz YJUVPPBDAPHSPZ-VWLOTQADSA-N 1 1 477.070 5.071 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cccc(Cl)c3)C2)ccc1Cl ZINC000257336173 570149301 /nfs/dbraw/zinc/14/93/01/570149301.db2.gz YNLZLHUWWAZCRD-SANMLTNESA-N 1 1 491.459 5.212 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2cccc3[nH]ccc32)C1 ZINC000257341674 570150905 /nfs/dbraw/zinc/15/09/05/570150905.db2.gz ZLJSXBRGIXWFOR-KAYWLYCHSA-N 1 1 490.003 5.205 40 0 JKABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@@H](Cc4ccc(Cl)cc4)CC[C@@H]3C2)c(Cl)c1 ZINC000257342623 570151144 /nfs/dbraw/zinc/15/11/44/570151144.db2.gz ZPLQDXFZJNQLDF-DBXWQHBBSA-N 1 1 460.405 5.091 40 0 JKABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)[C@H]1O ZINC000257343060 570151272 /nfs/dbraw/zinc/15/12/72/570151272.db2.gz ZRIDYWDFRAJJRG-DTXPUJKBSA-N 1 1 456.674 6.010 40 0 JKABMO CN(Cc1ccccc1)[C@H]1CC[C@H]([N@H+](Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)[C@H]1O ZINC000257343060 570151273 /nfs/dbraw/zinc/15/12/73/570151273.db2.gz ZRIDYWDFRAJJRG-DTXPUJKBSA-N 1 1 456.674 6.010 40 0 JKABMO CN(Cc1ccccc1)[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)[C@H]1O ZINC000257343060 570151274 /nfs/dbraw/zinc/15/12/74/570151274.db2.gz ZRIDYWDFRAJJRG-DTXPUJKBSA-N 1 1 456.674 6.010 40 0 JKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCCC[C@H]4C)cc3)CCOCC2)c1 ZINC000260812487 570158966 /nfs/dbraw/zinc/15/89/66/570158966.db2.gz CWDNGGFPYGHBKZ-HSZRJFAPSA-N 1 1 450.623 5.325 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCC[C@H](C)C4)cc3)CCCC2)cc1 ZINC000260812540 570158987 /nfs/dbraw/zinc/15/89/87/570158987.db2.gz FUCOCXPZBFRFDO-QFIPXVFZSA-N 1 1 450.623 5.647 40 0 JKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[N@@H+]4CCC[C@H](C)C4)cc3)CCOCC2)c1 ZINC000260816726 570159236 /nfs/dbraw/zinc/15/92/36/570159236.db2.gz OPRCEEGDDHBDSO-QHCPKHFHSA-N 1 1 450.623 5.183 40 0 JKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000260833555 570159693 /nfs/dbraw/zinc/15/96/93/570159693.db2.gz YXKCMFRDRYPECB-GJZGRUSLSA-N 1 1 482.249 5.946 40 0 JKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000260833555 570159694 /nfs/dbraw/zinc/15/96/94/570159694.db2.gz YXKCMFRDRYPECB-GJZGRUSLSA-N 1 1 482.249 5.946 40 0 JKABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000408564570 570202794 /nfs/dbraw/zinc/20/27/94/570202794.db2.gz WVKIKQITHIXJRR-UHFFFAOYSA-N 1 1 453.586 5.123 40 0 JKABMO O=C1Nc2ccc(Cl)c3c2[C@]1(CCCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)CCC3 ZINC000001910863 194155370 /nfs/dbraw/zinc/15/53/70/194155370.db2.gz SBTRHJHOLCAPFT-SANMLTNESA-N 1 1 455.429 6.479 40 0 in-vitro JKABMO COc1cc2c(cc1OCc1ccccc1)[C@H](/C=C/c1ccc(OCc3ccccc3)cc1)[N@H+](C)CC2 ZINC000003847443 194364346 /nfs/dbraw/zinc/36/43/46/194364346.db2.gz UIHCHIFWZUJPBJ-GGJGZGSCSA-N 1 1 491.631 7.096 40 0 JKABMO COc1cc2c(cc1OCc1ccccc1)[C@H](/C=C/c1ccc(OCc3ccccc3)cc1)[N@@H+](C)CC2 ZINC000003847443 194364348 /nfs/dbraw/zinc/36/43/48/194364348.db2.gz UIHCHIFWZUJPBJ-GGJGZGSCSA-N 1 1 491.631 7.096 40 0 JKABMO COc1cc2cc(CNc3ccc([NH+]4CCCCC4)cc3N3CCCCC3)c(=O)[nH]c2cc1OC ZINC000057709858 195357838 /nfs/dbraw/zinc/35/78/38/195357838.db2.gz VMYFWGKNSFVJAA-UHFFFAOYSA-N 1 1 476.621 5.138 40 0 JKABMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000014943954 520105598 /nfs/dbraw/zinc/10/55/98/520105598.db2.gz VVESZKCTNSMUOY-VWLOTQADSA-N 1 1 484.040 5.508 40 0 JKABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195613 522466473 /nfs/dbraw/zinc/46/64/73/522466473.db2.gz SFZIPHMHSCBBOK-UHFFFAOYSA-N 1 1 482.205 6.028 40 0 JKABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4C)n3)cn2)cc1 ZINC000049155263 523747887 /nfs/dbraw/zinc/74/78/87/523747887.db2.gz PJDORSYHNGTMJZ-QHCPKHFHSA-N 1 1 469.545 5.038 40 0 biogenic,in-vitro JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc2)C1 ZINC000020459497 524232230 /nfs/dbraw/zinc/23/22/30/524232230.db2.gz DOGKHGIWAOBWFA-LJQANCHMSA-N 1 1 498.048 5.625 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)cc2)C1 ZINC000044786599 524232744 /nfs/dbraw/zinc/23/27/44/524232744.db2.gz BXJICBULCJTMQR-QGZVFWFLSA-N 1 1 451.463 5.889 40 0 JKABMO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000044839473 525111652 /nfs/dbraw/zinc/11/16/52/525111652.db2.gz XFORLAQIUGFXHW-OAQYLSRUSA-N 1 1 476.642 5.118 40 0 JKABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1Cc1nccc2cc(OC)c(OC)cc21 ZINC000000898518 553833116 /nfs/dbraw/zinc/83/31/16/553833116.db2.gz MBYXEBXZARTUSS-IOZGHAEBSA-N 1 1 476.617 5.457 40 0 biogenic,in-vitro JKABMO CCc1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298740 553940999 /nfs/dbraw/zinc/94/09/99/553940999.db2.gz MCAJCHWSQJAFQF-QHCPKHFHSA-N 1 1 454.039 5.553 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1C ZINC000001325939 553942134 /nfs/dbraw/zinc/94/21/34/553942134.db2.gz ZGUFGJSQCKAGRG-HSZRJFAPSA-N 1 1 462.663 5.137 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000001325953 553942195 /nfs/dbraw/zinc/94/21/95/553942195.db2.gz PAWWRYAYPOOXLI-QFIPXVFZSA-N 1 1 469.054 5.173 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(C)cc1 ZINC000001325981 553942244 /nfs/dbraw/zinc/94/22/44/553942244.db2.gz SAJWDJFJQCROHE-DEOSSOPVSA-N 1 1 462.663 5.137 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cc(C)ccc1C ZINC000001332268 553947300 /nfs/dbraw/zinc/94/73/00/553947300.db2.gz OLUCRHSOSJFOKD-XMMPIXPASA-N 1 1 476.690 5.445 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1 ZINC000001332245 553947308 /nfs/dbraw/zinc/94/73/08/553947308.db2.gz XTQODDXUJZLQJK-DEOSSOPVSA-N 1 1 462.663 5.137 40 0 JKABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000001335240 553949849 /nfs/dbraw/zinc/94/98/49/553949849.db2.gz RRSBOOFMFARVNY-UHFFFAOYSA-N 1 1 453.611 5.939 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001353323 553956408 /nfs/dbraw/zinc/95/64/08/553956408.db2.gz VLXCNDSMTUSYPT-JOCHJYFZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001371584 553961783 /nfs/dbraw/zinc/96/17/83/553961783.db2.gz GMWACHHFMHQJCL-HSZRJFAPSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001371580 553961855 /nfs/dbraw/zinc/96/18/55/553961855.db2.gz NVNRXEXUWBUUED-OAQYLSRUSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375559 553963582 /nfs/dbraw/zinc/96/35/82/553963582.db2.gz OXFLCSCCWDLALF-DEOSSOPVSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375559 553963587 /nfs/dbraw/zinc/96/35/87/553963587.db2.gz OXFLCSCCWDLALF-DEOSSOPVSA-N 1 1 472.637 5.082 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001378304 553965013 /nfs/dbraw/zinc/96/50/13/553965013.db2.gz RBBKKKBZLBBPOQ-JOCHJYFZSA-N 1 1 452.986 5.008 40 0 JKABMO O=C(N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002129638 554059633 /nfs/dbraw/zinc/05/96/33/554059633.db2.gz OXYYGWFHYWELQU-KYJSFNMBSA-N 1 1 454.225 5.047 40 0 JKABMO CCOC(=O)C1CC[NH+]([C@H](c2c(NC(C)=O)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000002700648 554294039 /nfs/dbraw/zinc/29/40/39/554294039.db2.gz ZVQHJKRHSXBPEY-QHCPKHFHSA-N 1 1 458.599 5.089 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149284 554511802 /nfs/dbraw/zinc/51/18/02/554511802.db2.gz KSIRXZBPEMJFFE-HSZRJFAPSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149284 554511806 /nfs/dbraw/zinc/51/18/06/554511806.db2.gz KSIRXZBPEMJFFE-HSZRJFAPSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149163 554511858 /nfs/dbraw/zinc/51/18/58/554511858.db2.gz MIUSXAAFCRWCNP-HSZRJFAPSA-N 1 1 462.642 5.104 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149163 554511860 /nfs/dbraw/zinc/51/18/60/554511860.db2.gz MIUSXAAFCRWCNP-HSZRJFAPSA-N 1 1 462.642 5.104 40 0 JKABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006197928 554519190 /nfs/dbraw/zinc/51/91/90/554519190.db2.gz PNVUNFOWQRZLQB-MHZLTWQESA-N 1 1 498.675 5.266 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006408594 554534450 /nfs/dbraw/zinc/53/44/50/554534450.db2.gz XGJMAWVIBBKKOB-DEOSSOPVSA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006408594 554534456 /nfs/dbraw/zinc/53/44/56/554534456.db2.gz XGJMAWVIBBKKOB-DEOSSOPVSA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006408911 554534495 /nfs/dbraw/zinc/53/44/95/554534495.db2.gz MNYVSLBFCYWYFP-SANMLTNESA-N 1 1 482.632 5.007 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006408911 554534496 /nfs/dbraw/zinc/53/44/96/554534496.db2.gz MNYVSLBFCYWYFP-SANMLTNESA-N 1 1 482.632 5.007 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442244 554536415 /nfs/dbraw/zinc/53/64/15/554536415.db2.gz ITUBPHYVARTYKN-VWLOTQADSA-N 1 1 474.653 5.382 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442244 554536418 /nfs/dbraw/zinc/53/64/18/554536418.db2.gz ITUBPHYVARTYKN-VWLOTQADSA-N 1 1 474.653 5.382 40 0 JKABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443943 554538010 /nfs/dbraw/zinc/53/80/10/554538010.db2.gz HSCMKLYWIASWNB-XMMPIXPASA-N 1 1 460.626 5.074 40 0 JKABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443943 554538012 /nfs/dbraw/zinc/53/80/12/554538012.db2.gz HSCMKLYWIASWNB-XMMPIXPASA-N 1 1 460.626 5.074 40 0 JKABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443671 554538091 /nfs/dbraw/zinc/53/80/91/554538091.db2.gz LOVOFFSXONUCCO-VWLOTQADSA-N 1 1 474.653 5.464 40 0 JKABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000006443671 554538095 /nfs/dbraw/zinc/53/80/95/554538095.db2.gz LOVOFFSXONUCCO-VWLOTQADSA-N 1 1 474.653 5.464 40 0 JKABMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](Oc1cc(C)c2ccccc2n1)c1ccnc2ccc(OC)cc21 ZINC000008740343 554642685 /nfs/dbraw/zinc/64/26/85/554642685.db2.gz XNLQXNDAUCSSKU-VRPVPIDFSA-N 1 1 467.613 6.341 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2Cl)CC1 ZINC000008902285 554796100 /nfs/dbraw/zinc/79/61/00/554796100.db2.gz GXEPXDACGIOGEL-UHFFFAOYSA-N 1 1 473.960 5.118 40 0 JKABMO Cc1ccc(Cl)cc1N1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000009063704 554881621 /nfs/dbraw/zinc/88/16/21/554881621.db2.gz VWDAZUUDUNIJMA-UHFFFAOYSA-N 1 1 464.412 5.002 40 0 JKABMO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000009186434 554958836 /nfs/dbraw/zinc/95/88/36/554958836.db2.gz LIEPOPJIKJBLKK-MGONOCMRSA-N 1 1 474.601 5.251 40 0 JKABMO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000009186434 554958839 /nfs/dbraw/zinc/95/88/39/554958839.db2.gz LIEPOPJIKJBLKK-MGONOCMRSA-N 1 1 474.601 5.251 40 0 JKABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280841 555049742 /nfs/dbraw/zinc/04/97/42/555049742.db2.gz SBYSBUXPPSFTJO-MGONOCMRSA-N 1 1 474.601 5.164 40 0 JKABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000009280841 555049745 /nfs/dbraw/zinc/04/97/45/555049745.db2.gz SBYSBUXPPSFTJO-MGONOCMRSA-N 1 1 474.601 5.164 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494557 555405015 /nfs/dbraw/zinc/40/50/15/555405015.db2.gz XKUJTQSPFIHHND-XMMPIXPASA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494557 555405017 /nfs/dbraw/zinc/40/50/17/555405017.db2.gz XKUJTQSPFIHHND-XMMPIXPASA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494566 555405478 /nfs/dbraw/zinc/40/54/78/555405478.db2.gz PREAFWDVEBUQHR-VWLOTQADSA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494566 555405482 /nfs/dbraw/zinc/40/54/82/555405482.db2.gz PREAFWDVEBUQHR-VWLOTQADSA-N 1 1 486.664 5.391 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495820 555409556 /nfs/dbraw/zinc/40/95/56/555409556.db2.gz KIQISABJJRVSHF-AREMUKBSSA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495820 555409559 /nfs/dbraw/zinc/40/95/59/555409559.db2.gz KIQISABJJRVSHF-AREMUKBSSA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495840 555409592 /nfs/dbraw/zinc/40/95/92/555409592.db2.gz VMGLFOYWWCRGKY-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495840 555409597 /nfs/dbraw/zinc/40/95/97/555409597.db2.gz VMGLFOYWWCRGKY-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495803 555409607 /nfs/dbraw/zinc/40/96/07/555409607.db2.gz SDLVNASAMGAQKF-VWLOTQADSA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495803 555409611 /nfs/dbraw/zinc/40/96/11/555409611.db2.gz SDLVNASAMGAQKF-VWLOTQADSA-N 1 1 470.621 5.134 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495841 555409744 /nfs/dbraw/zinc/40/97/44/555409744.db2.gz VMGLFOYWWCRGKY-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495841 555409746 /nfs/dbraw/zinc/40/97/46/555409746.db2.gz VMGLFOYWWCRGKY-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495838 555409759 /nfs/dbraw/zinc/40/97/59/555409759.db2.gz KJDGCEJIUOIAKJ-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495838 555409761 /nfs/dbraw/zinc/40/97/61/555409761.db2.gz KJDGCEJIUOIAKJ-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495923 555409998 /nfs/dbraw/zinc/40/99/98/555409998.db2.gz ITHYOBUXIKEVAS-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495923 555410003 /nfs/dbraw/zinc/41/00/03/555410003.db2.gz ITHYOBUXIKEVAS-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495875 555410108 /nfs/dbraw/zinc/41/01/08/555410108.db2.gz GCENOUYASGAZRW-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495875 555410111 /nfs/dbraw/zinc/41/01/11/555410111.db2.gz GCENOUYASGAZRW-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013498453 555420695 /nfs/dbraw/zinc/42/06/95/555420695.db2.gz CVUQYPDAXZLVRP-HHHXNRCGSA-N 1 1 484.648 5.267 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498441 555420829 /nfs/dbraw/zinc/42/08/29/555420829.db2.gz GOMZEEIELXCYQS-MUUNZHRXSA-N 1 1 498.675 5.634 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498441 555420831 /nfs/dbraw/zinc/42/08/31/555420831.db2.gz GOMZEEIELXCYQS-MUUNZHRXSA-N 1 1 498.675 5.634 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498503 555421058 /nfs/dbraw/zinc/42/10/58/555421058.db2.gz BDBALAWIYQCBSP-SANMLTNESA-N 1 1 486.664 5.410 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498503 555421061 /nfs/dbraw/zinc/42/10/61/555421061.db2.gz BDBALAWIYQCBSP-SANMLTNESA-N 1 1 486.664 5.410 40 0 JKABMO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498516 555421568 /nfs/dbraw/zinc/42/15/68/555421568.db2.gz YXQVXNYWPOFDFF-HHHXNRCGSA-N 1 1 484.648 5.380 40 0 JKABMO Cc1ccc2cc(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498516 555421571 /nfs/dbraw/zinc/42/15/71/555421571.db2.gz YXQVXNYWPOFDFF-HHHXNRCGSA-N 1 1 484.648 5.380 40 0 JKABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013498645 555423067 /nfs/dbraw/zinc/42/30/67/555423067.db2.gz QRUMXSNTOILEPY-VWLOTQADSA-N 1 1 478.641 5.170 40 0 JKABMO COc1ccc2cc(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498729 555424145 /nfs/dbraw/zinc/42/41/45/555424145.db2.gz RIBNELJUSIBAQI-RUZDIDTESA-N 1 1 478.641 5.170 40 0 JKABMO COc1ccc2cc(C[N@@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498736 555424349 /nfs/dbraw/zinc/42/43/49/555424349.db2.gz XHLIVIVGLIQAKY-VWLOTQADSA-N 1 1 478.641 5.170 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498849 555425123 /nfs/dbraw/zinc/42/51/23/555425123.db2.gz BJWBAXZYXVUCNV-QHCPKHFHSA-N 1 1 450.631 5.028 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498912 555425907 /nfs/dbraw/zinc/42/59/07/555425907.db2.gz NEBDXMQRIORMEZ-HHHXNRCGSA-N 1 1 484.648 5.322 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499016 555427272 /nfs/dbraw/zinc/42/72/72/555427272.db2.gz CYQNEGBSFZNCRN-XMMPIXPASA-N 1 1 464.658 5.418 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499098 555427976 /nfs/dbraw/zinc/42/79/76/555427976.db2.gz AULSQPOCGFMSMJ-MUUNZHRXSA-N 1 1 498.675 5.516 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000013499140 555428415 /nfs/dbraw/zinc/42/84/15/555428415.db2.gz WYZRYEZFGLDZLF-AREMUKBSSA-N 1 1 476.669 5.779 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499243 555429483 /nfs/dbraw/zinc/42/94/83/555429483.db2.gz BDIROMBDGZLACS-MUUNZHRXSA-N 1 1 498.675 5.778 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499243 555429487 /nfs/dbraw/zinc/42/94/87/555429487.db2.gz BDIROMBDGZLACS-MUUNZHRXSA-N 1 1 498.675 5.778 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013499240 555429496 /nfs/dbraw/zinc/42/94/96/555429496.db2.gz CPIYTZDGOXKRNW-SANMLTNESA-N 1 1 476.669 5.868 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013499249 555429724 /nfs/dbraw/zinc/42/97/24/555429724.db2.gz PAJHBJTWHWYNOM-HHHXNRCGSA-N 1 1 490.696 6.258 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499285 555429857 /nfs/dbraw/zinc/42/98/57/555429857.db2.gz QNAIOQLOQGAEFE-HSZRJFAPSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499326 555430336 /nfs/dbraw/zinc/43/03/36/555430336.db2.gz MOZHNAWOZXZCNM-SANMLTNESA-N 1 1 488.611 5.296 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499349 555430795 /nfs/dbraw/zinc/43/07/95/555430795.db2.gz UBTHKSGSTJWGMU-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499349 555430799 /nfs/dbraw/zinc/43/07/99/555430799.db2.gz UBTHKSGSTJWGMU-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499335 555430954 /nfs/dbraw/zinc/43/09/54/555430954.db2.gz ZZBIORQIWJCENV-MUUNZHRXSA-N 1 1 498.675 5.742 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499439 555431272 /nfs/dbraw/zinc/43/12/72/555431272.db2.gz MHGPNMIRMRHIHQ-XMMPIXPASA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499478 555431826 /nfs/dbraw/zinc/43/18/26/555431826.db2.gz ORHYBRRCCSEXAQ-MHZLTWQESA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499493 555432310 /nfs/dbraw/zinc/43/23/10/555432310.db2.gz DZUOGGALXMOEMM-HHHXNRCGSA-N 1 1 484.648 5.466 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499549 555432711 /nfs/dbraw/zinc/43/27/11/555432711.db2.gz WJVPWAHFTZXOKQ-XMMPIXPASA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499561 555433000 /nfs/dbraw/zinc/43/30/00/555433000.db2.gz ZRLXLMAMROESQU-XMMPIXPASA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499585 555433019 /nfs/dbraw/zinc/43/30/19/555433019.db2.gz RFYHCSNPVHPFMY-MUUNZHRXSA-N 1 1 498.675 5.856 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499609 555433399 /nfs/dbraw/zinc/43/33/99/555433399.db2.gz MDCMJMIRUCTVHO-RUZDIDTESA-N 1 1 474.609 5.059 40 0 JKABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499614 555433437 /nfs/dbraw/zinc/43/34/37/555433437.db2.gz KQEIPBNGXCVCMN-NDEPHWFRSA-N 1 1 498.675 5.660 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499613 555433501 /nfs/dbraw/zinc/43/35/01/555433501.db2.gz KQEIPBNGXCVCMN-MUUNZHRXSA-N 1 1 498.675 5.660 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499610 555433558 /nfs/dbraw/zinc/43/35/58/555433558.db2.gz MDCMJMIRUCTVHO-VWLOTQADSA-N 1 1 474.609 5.059 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500079 555436491 /nfs/dbraw/zinc/43/64/91/555436491.db2.gz YMTFJSWJYUAEPL-RUZDIDTESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500122 555436751 /nfs/dbraw/zinc/43/67/51/555436751.db2.gz DTXVIFQGTUNHSU-SANMLTNESA-N 1 1 484.648 5.547 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500111 555436805 /nfs/dbraw/zinc/43/68/05/555436805.db2.gz PKYRGGXIRASGCU-AREMUKBSSA-N 1 1 484.648 5.352 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500138 555436850 /nfs/dbraw/zinc/43/68/50/555436850.db2.gz HBMYNNQLKCUXJI-VWLOTQADSA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500160 555437197 /nfs/dbraw/zinc/43/71/97/555437197.db2.gz AZKHJGXANADXLM-MHZLTWQESA-N 1 1 484.648 5.547 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500151 555437271 /nfs/dbraw/zinc/43/72/71/555437271.db2.gz SBLLAVNZAOWSAY-HSZRJFAPSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500176 555437278 /nfs/dbraw/zinc/43/72/78/555437278.db2.gz CDRASARZEAXCHK-DEOSSOPVSA-N 1 1 480.657 5.344 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500176 555437281 /nfs/dbraw/zinc/43/72/81/555437281.db2.gz CDRASARZEAXCHK-DEOSSOPVSA-N 1 1 480.657 5.344 40 0 JKABMO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500274 555438602 /nfs/dbraw/zinc/43/86/02/555438602.db2.gz VJEVKQIVAXSKOD-VWLOTQADSA-N 1 1 472.637 5.020 40 0 JKABMO Cc1cccc2cc(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500274 555438605 /nfs/dbraw/zinc/43/86/05/555438605.db2.gz VJEVKQIVAXSKOD-VWLOTQADSA-N 1 1 472.637 5.020 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500588 555441644 /nfs/dbraw/zinc/44/16/44/555441644.db2.gz XVCGLINRVZSSLO-XMMPIXPASA-N 1 1 464.658 5.418 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500597 555441724 /nfs/dbraw/zinc/44/17/24/555441724.db2.gz UYDCLPIQSKILLH-NDEPHWFRSA-N 1 1 498.675 5.712 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500594 555441806 /nfs/dbraw/zinc/44/18/06/555441806.db2.gz GQUNQRZZJGQMDM-AREMUKBSSA-N 1 1 476.669 5.779 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500606 555442065 /nfs/dbraw/zinc/44/20/65/555442065.db2.gz RARIDUGYSZASEG-RUZDIDTESA-N 1 1 462.642 5.470 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500643 555442093 /nfs/dbraw/zinc/44/20/93/555442093.db2.gz XOBHMKTWJOGOOY-DEOSSOPVSA-N 1 1 464.658 5.500 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500611 555442133 /nfs/dbraw/zinc/44/21/33/555442133.db2.gz DDWXFPFNHMZZLG-SANMLTNESA-N 1 1 488.611 5.152 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500676 555442563 /nfs/dbraw/zinc/44/25/63/555442563.db2.gz MAPBGMKPPIUUNK-SANMLTNESA-N 1 1 492.668 5.560 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500646 555442570 /nfs/dbraw/zinc/44/25/70/555442570.db2.gz CLXUASKZFVIKKL-AREMUKBSSA-N 1 1 476.669 5.860 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500649 555442594 /nfs/dbraw/zinc/44/25/94/555442594.db2.gz NNLQSZVJADVQJB-MHZLTWQESA-N 1 1 484.648 5.403 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C(C)(C)CC)C(C)C)C3CCCC3)cc2c1 ZINC000013500663 555442612 /nfs/dbraw/zinc/44/26/12/555442612.db2.gz VLSOHOIGWZKLOO-XMMPIXPASA-N 1 1 480.657 5.200 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500647 555442618 /nfs/dbraw/zinc/44/26/18/555442618.db2.gz CLXUASKZFVIKKL-SANMLTNESA-N 1 1 476.669 5.860 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500759 555443936 /nfs/dbraw/zinc/44/39/36/555443936.db2.gz UPLSZTFHUBJHGI-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500759 555443939 /nfs/dbraw/zinc/44/39/39/555443939.db2.gz UPLSZTFHUBJHGI-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500979 555445900 /nfs/dbraw/zinc/44/59/00/555445900.db2.gz MFBDYQOGKNYAML-SANMLTNESA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500979 555445903 /nfs/dbraw/zinc/44/59/03/555445903.db2.gz MFBDYQOGKNYAML-SANMLTNESA-N 1 1 484.648 5.524 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500992 555446337 /nfs/dbraw/zinc/44/63/37/555446337.db2.gz XQSONDMSNVPBTN-HHHXNRCGSA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500992 555446339 /nfs/dbraw/zinc/44/63/39/555446339.db2.gz XQSONDMSNVPBTN-HHHXNRCGSA-N 1 1 496.615 5.050 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501085 555447129 /nfs/dbraw/zinc/44/71/29/555447129.db2.gz PVNDRHNHNPJBHJ-DEOSSOPVSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501084 555447179 /nfs/dbraw/zinc/44/71/79/555447179.db2.gz PVNDRHNHNPJBHJ-XMMPIXPASA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501082 555447206 /nfs/dbraw/zinc/44/72/06/555447206.db2.gz GZZGJMJUZOIQJE-HSZRJFAPSA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501080 555447220 /nfs/dbraw/zinc/44/72/20/555447220.db2.gz OSRYYDJIZGHQCF-AREMUKBSSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501080 555447225 /nfs/dbraw/zinc/44/72/25/555447225.db2.gz OSRYYDJIZGHQCF-AREMUKBSSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501089 555447314 /nfs/dbraw/zinc/44/73/14/555447314.db2.gz DCKNWMCSMIFRKK-SANMLTNESA-N 1 1 484.648 5.466 40 0 JKABMO O=C(C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000013561633 555494560 /nfs/dbraw/zinc/49/45/60/555494560.db2.gz KEVXOERZTLYDOC-UHFFFAOYSA-N 1 1 454.492 5.354 40 0 JKABMO CCOc1ccc([C@H]2CN(Cc3ccccc3)CC[C@@H]2[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013564363 555499254 /nfs/dbraw/zinc/49/92/54/555499254.db2.gz RTSMZPMHQTZKTM-SXOMAYOGSA-N 1 1 484.562 6.132 40 0 JKABMO CCOc1ccc([C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013564363 555499257 /nfs/dbraw/zinc/49/92/57/555499257.db2.gz RTSMZPMHQTZKTM-SXOMAYOGSA-N 1 1 484.562 6.132 40 0 JKABMO CCOc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013564363 555499259 /nfs/dbraw/zinc/49/92/59/555499259.db2.gz RTSMZPMHQTZKTM-SXOMAYOGSA-N 1 1 484.562 6.132 40 0 JKABMO O=c1[nH]c2c(cc1C[NH2+]Cc1ccccc1Cl)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000013564711 555499484 /nfs/dbraw/zinc/49/94/84/555499484.db2.gz UUJMZTBFMIEFNO-UHFFFAOYSA-N 1 1 458.924 5.463 40 0 JKABMO O=c1[nH]c2c(cc1C[NH2+]Cc1ccccc1Cl)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000013564738 555499827 /nfs/dbraw/zinc/49/98/27/555499827.db2.gz VQGJOEFPYGCLOI-UHFFFAOYSA-N 1 1 458.924 5.463 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564982 555500658 /nfs/dbraw/zinc/50/06/58/555500658.db2.gz RLPHXTFZVGIAIX-UHFFFAOYSA-N 1 1 488.657 5.444 40 0 JKABMO S=C(c1ccccc1OCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842728 555509469 /nfs/dbraw/zinc/50/94/69/555509469.db2.gz JQDMTWDVGWFMGF-UHFFFAOYSA-N 1 1 478.661 6.348 40 0 JKABMO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013708531 555588886 /nfs/dbraw/zinc/58/88/86/555588886.db2.gz SSFUTKRKXXJPMZ-QHCPKHFHSA-N 1 1 450.582 5.541 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000014271853 555767992 /nfs/dbraw/zinc/76/79/92/555767992.db2.gz SNCDCESYMLDLBV-KPKJPENVSA-N 1 1 471.070 5.132 40 0 JKABMO CC(C)COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014291037 555791938 /nfs/dbraw/zinc/79/19/38/555791938.db2.gz OGDSKDOKZCQSSR-UHFFFAOYSA-N 1 1 478.036 5.949 40 0 JKABMO CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014291033 555791986 /nfs/dbraw/zinc/79/19/86/555791986.db2.gz NZUXNVBPTUUINB-UHFFFAOYSA-N 1 1 492.063 5.977 40 0 JKABMO C[C@@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014608362 555836787 /nfs/dbraw/zinc/83/67/87/555836787.db2.gz NYUOUROUHJNQTQ-SFHVURJKSA-N 1 1 451.492 5.664 40 0 JKABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022075160 555871015 /nfs/dbraw/zinc/87/10/15/555871015.db2.gz QFXZFLGMCLPZGR-UHFFFAOYSA-N 1 1 490.269 5.775 40 0 JKABMO Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)o2)cc1Cl ZINC000022706331 555943447 /nfs/dbraw/zinc/94/34/47/555943447.db2.gz SHVJSDHULNIZMG-JXMROGBWSA-N 1 1 470.400 5.966 40 0 JKABMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000023292186 556038296 /nfs/dbraw/zinc/03/82/96/556038296.db2.gz QAWJMVRCMNMDJT-HSZRJFAPSA-N 1 1 454.039 5.607 40 0 JKABMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000023471922 556074026 /nfs/dbraw/zinc/07/40/26/556074026.db2.gz XVERXBGUYWQKIJ-UHFFFAOYSA-N 1 1 476.242 5.385 40 0 JKABMO CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000012635652 556094397 /nfs/dbraw/zinc/09/43/97/556094397.db2.gz FARPEEGHEHKJQH-DEOSSOPVSA-N 1 1 492.689 5.227 40 0 JKABMO CCc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000012635596 556094417 /nfs/dbraw/zinc/09/44/17/556094417.db2.gz CCCVGCQWKWBAMQ-RUZDIDTESA-N 1 1 476.690 5.391 40 0 JKABMO CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCC[N@@H+]1CC ZINC000012635450 556094434 /nfs/dbraw/zinc/09/44/34/556094434.db2.gz HLKBPVHAUAPMQP-HSZRJFAPSA-N 1 1 462.663 5.082 40 0 JKABMO CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000012635656 556094717 /nfs/dbraw/zinc/09/47/17/556094717.db2.gz FARPEEGHEHKJQH-XMMPIXPASA-N 1 1 492.689 5.227 40 0 JKABMO O=C(C[NH+]1CCC(n2c3ccccc3nc2C(F)(F)F)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000012640223 556096159 /nfs/dbraw/zinc/09/61/59/556096159.db2.gz LCRANFWFZRQBPG-UHFFFAOYSA-N 1 1 471.310 5.638 40 0 JKABMO CN(C)/C=C/C(=S)N(c1ccccc1)c1ccc(N(C(=S)/C=C/[NH+](C)C)c2ccccc2)cc1 ZINC000016163021 556128042 /nfs/dbraw/zinc/12/80/42/556128042.db2.gz IGYHNQFWFUKZBT-FLFKKZLDSA-N 1 1 486.710 6.768 40 0 JKABMO Clc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000016477838 556140036 /nfs/dbraw/zinc/14/00/36/556140036.db2.gz OVJVDTTXDNOGCZ-VWLOTQADSA-N 1 1 475.061 6.135 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2Cl)CC1 ZINC000016681536 556150826 /nfs/dbraw/zinc/15/08/26/556150826.db2.gz FBQBHJJILAKKFL-UHFFFAOYSA-N 1 1 488.813 5.757 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2Cl)CC1 ZINC000016681540 556150863 /nfs/dbraw/zinc/15/08/63/556150863.db2.gz GIZRWGINFOTIBF-UHFFFAOYSA-N 1 1 478.807 6.301 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2Cl)CC1 ZINC000016681538 556150900 /nfs/dbraw/zinc/15/09/00/556150900.db2.gz KBAYHPIDCSAYDE-UHFFFAOYSA-N 1 1 478.807 6.301 40 0 JKABMO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016768295 556158425 /nfs/dbraw/zinc/15/84/25/556158425.db2.gz RLEHINLJINKLMV-UHFFFAOYSA-N 1 1 452.989 7.156 40 0 JKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)cc1Cl ZINC000016768308 556158472 /nfs/dbraw/zinc/15/84/72/556158472.db2.gz GATFXYLBCIIZKA-UHFFFAOYSA-N 1 1 467.016 7.464 40 0 JKABMO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768367 556158836 /nfs/dbraw/zinc/15/88/36/556158836.db2.gz VMDJTSJPHCEBBM-UHFFFAOYSA-N 1 1 497.440 7.265 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063836 556261174 /nfs/dbraw/zinc/26/11/74/556261174.db2.gz YANHFWHGEKOUJV-RUZDIDTESA-N 1 1 462.642 5.614 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3CCc3ccccc3)C3CCCC3)cc2c1 ZINC000013063760 556261183 /nfs/dbraw/zinc/26/11/83/556261183.db2.gz PQWPMNYTVWJBAI-MHZLTWQESA-N 1 1 484.648 5.216 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3CCc3ccccc3)C3CCCC3)cc2c1 ZINC000013063760 556261184 /nfs/dbraw/zinc/26/11/84/556261184.db2.gz PQWPMNYTVWJBAI-MHZLTWQESA-N 1 1 484.648 5.216 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013063739 556261218 /nfs/dbraw/zinc/26/12/18/556261218.db2.gz CVYLMXQLSJXPDC-AREMUKBSSA-N 1 1 488.611 5.160 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000013063739 556261220 /nfs/dbraw/zinc/26/12/20/556261220.db2.gz CVYLMXQLSJXPDC-AREMUKBSSA-N 1 1 488.611 5.160 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3CCc3ccccc3)C3CCCC3)cc2c1 ZINC000013063759 556261242 /nfs/dbraw/zinc/26/12/42/556261242.db2.gz PQWPMNYTVWJBAI-HHHXNRCGSA-N 1 1 484.648 5.216 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3CCc3ccccc3)C3CCCC3)cc2c1 ZINC000013063759 556261243 /nfs/dbraw/zinc/26/12/43/556261243.db2.gz PQWPMNYTVWJBAI-HHHXNRCGSA-N 1 1 484.648 5.216 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064614 556262471 /nfs/dbraw/zinc/26/24/71/556262471.db2.gz GRRHGRWRZGTLDA-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064614 556262474 /nfs/dbraw/zinc/26/24/74/556262474.db2.gz GRRHGRWRZGTLDA-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781432 556262526 /nfs/dbraw/zinc/26/25/26/556262526.db2.gz MYBALPAZTSJIAM-KULMNKMISA-N 1 1 464.694 5.232 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064577 556262505 /nfs/dbraw/zinc/26/25/05/556262505.db2.gz HDEMIZDQEKEBLD-XMMPIXPASA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064733 556262779 /nfs/dbraw/zinc/26/27/79/556262779.db2.gz TZZAYUZWOQGQRH-MHZLTWQESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064733 556262781 /nfs/dbraw/zinc/26/27/81/556262781.db2.gz TZZAYUZWOQGQRH-MHZLTWQESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064800 556262878 /nfs/dbraw/zinc/26/28/78/556262878.db2.gz AYEQGGGNYWHQCZ-HSZRJFAPSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064800 556262881 /nfs/dbraw/zinc/26/28/81/556262881.db2.gz AYEQGGGNYWHQCZ-HSZRJFAPSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064850 556262943 /nfs/dbraw/zinc/26/29/43/556262943.db2.gz MFZQMZYWEVAYPL-MUUNZHRXSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064850 556262945 /nfs/dbraw/zinc/26/29/45/556262945.db2.gz MFZQMZYWEVAYPL-MUUNZHRXSA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065031 556263209 /nfs/dbraw/zinc/26/32/09/556263209.db2.gz JMLMKZONVXUWTI-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065031 556263212 /nfs/dbraw/zinc/26/32/12/556263212.db2.gz JMLMKZONVXUWTI-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064882 556263295 /nfs/dbraw/zinc/26/32/95/556263295.db2.gz LNNXXMFCKHQIAS-AREMUKBSSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064882 556263296 /nfs/dbraw/zinc/26/32/96/556263296.db2.gz LNNXXMFCKHQIAS-AREMUKBSSA-N 1 1 470.621 5.076 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065055 556263359 /nfs/dbraw/zinc/26/33/59/556263359.db2.gz ABTBSANQSGNFSY-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065055 556263361 /nfs/dbraw/zinc/26/33/61/556263361.db2.gz ABTBSANQSGNFSY-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064881 556263405 /nfs/dbraw/zinc/26/34/05/556263405.db2.gz PFCNMRYRXSBQAG-MHZLTWQESA-N 1 1 484.648 5.466 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065112 556263641 /nfs/dbraw/zinc/26/36/41/556263641.db2.gz NAPNRVGWOBQSMO-RUZDIDTESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065112 556263644 /nfs/dbraw/zinc/26/36/44/556263644.db2.gz NAPNRVGWOBQSMO-RUZDIDTESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065066 556263798 /nfs/dbraw/zinc/26/37/98/556263798.db2.gz JDTZUKADIUHMFB-AREMUKBSSA-N 1 1 484.648 5.466 40 0 JKABMO ClC1=CC[C@H]2CN(CN(CC[N@@H+]3C[C@@H]4CC=C(Cl)C[C@@H]4C3)Cc3ccccc3)C[C@H]2C1 ZINC000019330355 556342136 /nfs/dbraw/zinc/34/21/36/556342136.db2.gz KUGQIPDYEXNCQQ-CJRSTVEYSA-N 1 1 460.493 5.375 40 0 JKABMO ClC1=CC[C@H]2CN(CN(CC[N@H+]3C[C@@H]4CC=C(Cl)C[C@@H]4C3)Cc3ccccc3)C[C@H]2C1 ZINC000019330355 556342139 /nfs/dbraw/zinc/34/21/39/556342139.db2.gz KUGQIPDYEXNCQQ-CJRSTVEYSA-N 1 1 460.493 5.375 40 0 JKABMO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030855768 556379769 /nfs/dbraw/zinc/37/97/69/556379769.db2.gz XJMGSDFDROAKJF-HXUWFJFHSA-N 1 1 491.657 5.588 40 0 JKABMO COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[N@@H+](C)CCc4ccccn4)C=C3C)o2)cc1 ZINC000030883310 556387074 /nfs/dbraw/zinc/38/70/74/556387074.db2.gz ZWSQBOWIKMJQQB-DPZBCOQUSA-N 1 1 474.649 5.712 40 0 biogenic,in-vitro JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030941372 556388736 /nfs/dbraw/zinc/38/87/36/556388736.db2.gz IEUAWBNESPYTRB-GOSISDBHSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030941372 556388740 /nfs/dbraw/zinc/38/87/40/556388740.db2.gz IEUAWBNESPYTRB-GOSISDBHSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944185 556389090 /nfs/dbraw/zinc/38/90/90/556389090.db2.gz CBSQYLDQBRHOTN-NRFANRHFSA-N 1 1 453.413 6.111 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944185 556389096 /nfs/dbraw/zinc/38/90/96/556389096.db2.gz CBSQYLDQBRHOTN-NRFANRHFSA-N 1 1 453.413 6.111 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943181 556389177 /nfs/dbraw/zinc/38/91/77/556389177.db2.gz RTFBRAMBFKBAIJ-FQEVSTJZSA-N 1 1 467.396 6.075 40 0 JKABMO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943181 556389180 /nfs/dbraw/zinc/38/91/80/556389180.db2.gz RTFBRAMBFKBAIJ-FQEVSTJZSA-N 1 1 467.396 6.075 40 0 JKABMO COc1cc(C[C@H]2c3cccc(Oc4ccc(C)cc4)c3CC[N@@H+]2C)ccc1Oc1ccc(C)cc1 ZINC000031720530 556402398 /nfs/dbraw/zinc/40/23/98/556402398.db2.gz HPCZXESYHGOMBO-LJAQVGFWSA-N 1 1 479.620 7.668 40 0 JKABMO COc1cc(C[C@@H]2c3cccc(Oc4ccc(C)cc4)c3CC[N@@H+]2C)ccc1Oc1ccc(C)cc1 ZINC000031720532 556402421 /nfs/dbraw/zinc/40/24/21/556402421.db2.gz HPCZXESYHGOMBO-GDLZYMKVSA-N 1 1 479.620 7.668 40 0 JKABMO O=S1(=O)[C@@H](c2ccccc2)[C@H]([NH+]2CCCCC2)[C@@H]1[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000031947132 556412004 /nfs/dbraw/zinc/41/20/04/556412004.db2.gz RRIBTWMCISRUHX-IMAJXIBASA-N 1 1 469.650 5.677 40 0 in-vitro JKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](Cc4ccccc4)Cc4ccccc4)C=C3C)[nH]c21 ZINC000077262088 560046705 /nfs/dbraw/zinc/04/67/05/560046705.db2.gz NROMOWHPYGGQIN-CHQNGUEUSA-N 1 1 491.723 7.971 40 0 biogenic,in-vitro JKABMO O=C(NC1CCCCC1)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCC2)nc(-c2ccncc2)n1 ZINC000008622915 560107690 /nfs/dbraw/zinc/10/76/90/560107690.db2.gz ZULRJPVXOVMEBV-CAOCKLPOSA-N 1 1 489.664 5.433 40 0 biogenic,in-vitro JKABMO COCC(=O)O[C@@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003831125 562929461 /nfs/dbraw/zinc/92/94/61/562929461.db2.gz HBNPJJILLOYFJU-URLMMPGGSA-N 1 1 495.639 5.271 40 0 in-vitro JKABMO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4[N@@H+](C)[C@@H](Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615757 569592267 /nfs/dbraw/zinc/59/22/67/569592267.db2.gz FBNPCQXAZFRQOI-JXCICLOFSA-N 1 1 477.821 9.013 40 0 JKABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000059558987 569606772 /nfs/dbraw/zinc/60/67/72/569606772.db2.gz ISMMQWGPSPBTGB-UHFFFAOYSA-N 1 1 479.049 5.097 40 0 JKABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cc2ccccc2o1 ZINC000059559107 569606776 /nfs/dbraw/zinc/60/67/76/569606776.db2.gz DXDKODAXQPBQJZ-UHFFFAOYSA-N 1 1 488.588 5.021 40 0 JKABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc2ccccc2c1 ZINC000059559108 569606799 /nfs/dbraw/zinc/60/67/99/569606799.db2.gz UHNATFYGPVPUCI-UHFFFAOYSA-N 1 1 498.627 5.428 40 0 JKABMO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000059559210 569606848 /nfs/dbraw/zinc/60/68/48/569606848.db2.gz OFDKOSAOSBPLEI-CXUHLZMHSA-N 1 1 474.048 6.438 40 0 JKABMO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)ccc1Cl ZINC000059559208 569606939 /nfs/dbraw/zinc/60/69/39/569606939.db2.gz BXXDGIPRUJTVBH-UHFFFAOYSA-N 1 1 484.427 5.642 40 0 JKABMO Fc1ccc(COc2c(Cl)cc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Cl)cc1 ZINC000033654564 569629786 /nfs/dbraw/zinc/62/97/86/569629786.db2.gz JEAZHFDMSDQKGC-UHFFFAOYSA-N 1 1 489.443 6.205 40 0 JKABMO Fc1cccc(COc2c(Cl)cc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Cl)c1 ZINC000034882290 569668831 /nfs/dbraw/zinc/66/88/31/569668831.db2.gz BFTLJJSFBJHUAQ-UHFFFAOYSA-N 1 1 489.443 6.205 40 0 JKABMO S=C(c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035375827 569684717 /nfs/dbraw/zinc/68/47/17/569684717.db2.gz MEKMISDEOZFDJS-UHFFFAOYSA-N 1 1 471.453 6.066 40 0 JKABMO COc1ccc(NC(=O)OCC[NH+](CCOC(=O)Nc2ccc(OC)cc2)Cc2ccccc2)cc1 ZINC000090547829 569720893 /nfs/dbraw/zinc/72/08/93/569720893.db2.gz ICGDTITYHZLVJD-UHFFFAOYSA-N 1 1 493.560 5.003 40 0 JKABMO O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096214612 569738474 /nfs/dbraw/zinc/73/84/74/569738474.db2.gz WHTGPUVNEWDLOY-MUUNZHRXSA-N 1 1 460.643 5.314 40 0 JKABMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000036628368 569779028 /nfs/dbraw/zinc/77/90/28/569779028.db2.gz WCDAGDMSNIMRDP-WUKNDPDISA-N 1 1 499.618 5.758 40 0 JKABMO CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101359106 569794261 /nfs/dbraw/zinc/79/42/61/569794261.db2.gz CEMSFMQVNAQHFL-BURNTYAHSA-N 1 1 469.368 5.124 40 0 JKABMO 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CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814564 570159087 /nfs/dbraw/zinc/15/90/87/570159087.db2.gz KNZQKTGGXVBQIG-DEOSSOPVSA-N 1 1 460.703 6.384 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@H](C)C4)cc3)CCCCC2)cc1 ZINC000260816861 570159216 /nfs/dbraw/zinc/15/92/16/570159216.db2.gz RGMDOXRDQSRFRN-QFIPXVFZSA-N 1 1 450.623 5.647 40 0 JKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000260833356 570159623 /nfs/dbraw/zinc/15/96/23/570159623.db2.gz VJZYDLTUTSYFEE-HOCLYGCPSA-N 1 1 482.249 5.946 40 0 JKABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000260833356 570159625 /nfs/dbraw/zinc/15/96/25/570159625.db2.gz VJZYDLTUTSYFEE-HOCLYGCPSA-N 1 1 482.249 5.946 40 0 JKABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000260833361 570159659 /nfs/dbraw/zinc/15/96/59/570159659.db2.gz VJZYDLTUTSYFEE-ZBFHGGJFSA-N 1 1 482.249 5.946 40 0 JKABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000260833361 570159661 /nfs/dbraw/zinc/15/96/61/570159661.db2.gz VJZYDLTUTSYFEE-ZBFHGGJFSA-N 1 1 482.249 5.946 40 0 JKABMO CCn1c2ccccc2c2cc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)ccc21 ZINC000408576347 570205880 /nfs/dbraw/zinc/20/58/80/570205880.db2.gz SPSYEOQQLVFBEY-UHFFFAOYSA-N 1 1 459.593 6.625 40 0 JKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000020970646 195258024 /nfs/dbraw/zinc/25/80/24/195258024.db2.gz PTRRHNRAVAJFFK-ZRDIBKRKSA-N 1 1 484.427 6.356 40 0 JKABMO CC(=O)c1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000057447965 195342378 /nfs/dbraw/zinc/34/23/78/195342378.db2.gz CDCFFVBZBHGLND-UHFFFAOYSA-N 1 1 450.582 6.065 40 0 JKABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[nH]c(NCc3ccccc3Cl)n2)o1 ZINC000057773497 195359992 /nfs/dbraw/zinc/35/99/92/195359992.db2.gz CMSWLPNHBBEDRR-FCHUYYIVSA-N 1 1 474.992 5.320 40 0 JKABMO COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000106588406 195456073 /nfs/dbraw/zinc/45/60/73/195456073.db2.gz RXLGJHRPYZIAAS-IMRHEYAYSA-N 1 1 465.634 5.590 40 0 JKABMO COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000102808131 130313973 /nfs/dbraw/zinc/31/39/73/130313973.db2.gz KIIPWXWTCHRTLY-QFWMQHCXSA-N 1 1 479.661 5.980 40 0 JKABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4CC4CCCCC4)n3)cn2)cc1 ZINC000049155195 523746583 /nfs/dbraw/zinc/74/65/83/523746583.db2.gz RTTBZNINVGZALZ-QFIPXVFZSA-N 1 1 461.566 5.110 40 0 biogenic,in-vitro JKABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4CCCc4ccccc4)n3)cn2)cc1 ZINC000049155221 523747916 /nfs/dbraw/zinc/74/79/16/523747916.db2.gz BBPTVCJUWVRAAX-DEOSSOPVSA-N 1 1 483.572 5.162 40 0 biogenic,in-vitro JKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)C1 ZINC000020456841 524093800 /nfs/dbraw/zinc/09/38/00/524093800.db2.gz MCYNKUWCMFMAIZ-IBGZPJMESA-N 1 1 481.593 5.111 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)C1 ZINC000044939106 524234229 /nfs/dbraw/zinc/23/42/29/524234229.db2.gz PVNMKTVVPUHEIB-JOCHJYFZSA-N 1 1 483.656 6.721 40 0 JKABMO Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022534755 525270921 /nfs/dbraw/zinc/27/09/21/525270921.db2.gz FOQANZIPPLUDJS-HXUWFJFHSA-N 1 1 477.630 5.280 40 0 JKABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(C)c1 ZINC000022751459 526143413 /nfs/dbraw/zinc/14/34/13/526143413.db2.gz ZIIKLQQWHXKLCR-UHFFFAOYSA-N 1 1 493.076 5.406 40 0 JKABMO CCc1cc([C@@H](c2ccc(SC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298699 553940756 /nfs/dbraw/zinc/94/07/56/553940756.db2.gz QUHWEHIKEXQOEA-XMMPIXPASA-N 1 1 465.688 5.622 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001353326 553956511 /nfs/dbraw/zinc/95/65/11/553956511.db2.gz AYGGCGZLFLCSDD-QFIPXVFZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001371117 553961173 /nfs/dbraw/zinc/96/11/73/553961173.db2.gz XFHHYWCBESQXGC-QHCPKHFHSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375026 553963187 /nfs/dbraw/zinc/96/31/87/553963187.db2.gz ZCXIWIKBIYXYAG-RUZDIDTESA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375026 553963191 /nfs/dbraw/zinc/96/31/91/553963191.db2.gz ZCXIWIKBIYXYAG-RUZDIDTESA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000001375517 553963423 /nfs/dbraw/zinc/96/34/23/553963423.db2.gz IRZITSZQQZHHKE-DEOSSOPVSA-N 1 1 474.609 5.059 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001378294 553964947 /nfs/dbraw/zinc/96/49/47/553964947.db2.gz QZPHRQURPVBHEB-FQEVSTJZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001378302 553965029 /nfs/dbraw/zinc/96/50/29/553965029.db2.gz RBBKKKBZLBBPOQ-QFIPXVFZSA-N 1 1 452.986 5.008 40 0 JKABMO O=C(N[C@@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002137026 554062422 /nfs/dbraw/zinc/06/24/22/554062422.db2.gz DWGJOEKNMCQDLE-KYJSFNMBSA-N 1 1 454.225 5.047 40 0 JKABMO CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000006135908 554507844 /nfs/dbraw/zinc/50/78/44/554507844.db2.gz QIDDVIIQYDDLQP-LOSJGSFVSA-N 1 1 490.394 5.864 40 0 JKABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006149494 554511872 /nfs/dbraw/zinc/51/18/72/554511872.db2.gz SOCYPFSAJOVYNO-DEOSSOPVSA-N 1 1 492.668 5.194 40 0 JKABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006149494 554511873 /nfs/dbraw/zinc/51/18/73/554511873.db2.gz SOCYPFSAJOVYNO-DEOSSOPVSA-N 1 1 492.668 5.194 40 0 JKABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282836 554526060 /nfs/dbraw/zinc/52/60/60/554526060.db2.gz VLLWHDSWXPHAMZ-VWLOTQADSA-N 1 1 490.652 5.164 40 0 JKABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282836 554526062 /nfs/dbraw/zinc/52/60/62/554526062.db2.gz VLLWHDSWXPHAMZ-VWLOTQADSA-N 1 1 490.652 5.164 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300608 554529566 /nfs/dbraw/zinc/52/95/66/554529566.db2.gz MMELRCBKTXYOSG-QHCPKHFHSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300608 554529568 /nfs/dbraw/zinc/52/95/68/554529568.db2.gz MMELRCBKTXYOSG-QHCPKHFHSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300997 554529708 /nfs/dbraw/zinc/52/97/08/554529708.db2.gz HZHUFPMREIOKEI-AREMUKBSSA-N 1 1 488.680 5.772 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300997 554529711 /nfs/dbraw/zinc/52/97/11/554529711.db2.gz HZHUFPMREIOKEI-AREMUKBSSA-N 1 1 488.680 5.772 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300913 554529915 /nfs/dbraw/zinc/52/99/15/554529915.db2.gz MMELRCBKTXYOSG-HSZRJFAPSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006300913 554529920 /nfs/dbraw/zinc/52/99/20/554529920.db2.gz MMELRCBKTXYOSG-HSZRJFAPSA-N 1 1 462.642 5.022 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006409035 554534586 /nfs/dbraw/zinc/53/45/86/554534586.db2.gz XGJMAWVIBBKKOB-XMMPIXPASA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006409035 554534590 /nfs/dbraw/zinc/53/45/90/554534590.db2.gz XGJMAWVIBBKKOB-XMMPIXPASA-N 1 1 460.626 5.074 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006410008 554534963 /nfs/dbraw/zinc/53/49/63/554534963.db2.gz KACSXISQRNTSRO-RUZDIDTESA-N 1 1 474.653 5.464 40 0 JKABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006410008 554534966 /nfs/dbraw/zinc/53/49/66/554534966.db2.gz KACSXISQRNTSRO-RUZDIDTESA-N 1 1 474.653 5.464 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442404 554536363 /nfs/dbraw/zinc/53/63/63/554536363.db2.gz WXRLSHJFOCAWKW-MHZLTWQESA-N 1 1 496.659 5.315 40 0 JKABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1C ZINC000006442404 554536365 /nfs/dbraw/zinc/53/63/65/554536365.db2.gz WXRLSHJFOCAWKW-MHZLTWQESA-N 1 1 496.659 5.315 40 0 JKABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000008782792 554679832 /nfs/dbraw/zinc/67/98/32/554679832.db2.gz UATSORGDFWLUQU-UKRRQHHQSA-N 1 1 498.958 5.551 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2Cl)CC1 ZINC000008832643 554727359 /nfs/dbraw/zinc/72/73/59/554727359.db2.gz OHUJXOPTKVLOGL-UHFFFAOYSA-N 1 1 464.780 5.911 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 ZINC000008898188 554788442 /nfs/dbraw/zinc/78/84/42/554788442.db2.gz QONMDEMWOVLEKN-UHFFFAOYSA-N 1 1 489.428 5.132 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063716 554881638 /nfs/dbraw/zinc/88/16/38/554881638.db2.gz HEOGTTFCOIROJI-UHFFFAOYSA-N 1 1 454.998 6.481 40 0 JKABMO Cc1cc(I)ccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063701 554881698 /nfs/dbraw/zinc/88/16/98/554881698.db2.gz JLKZKCDGBCKOCF-UHFFFAOYSA-N 1 1 486.756 5.243 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009334729 555102154 /nfs/dbraw/zinc/10/21/54/555102154.db2.gz CEMSFMQVNAQHFL-DOIPELPJSA-N 1 1 469.368 5.124 40 0 JKABMO CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009334729 555102158 /nfs/dbraw/zinc/10/21/58/555102158.db2.gz CEMSFMQVNAQHFL-DOIPELPJSA-N 1 1 469.368 5.124 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494561 555405061 /nfs/dbraw/zinc/40/50/61/555405061.db2.gz DVCIZVVAOTYIFS-RUZDIDTESA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494561 555405063 /nfs/dbraw/zinc/40/50/63/555405063.db2.gz DVCIZVVAOTYIFS-RUZDIDTESA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495806 555409546 /nfs/dbraw/zinc/40/95/46/555409546.db2.gz OIZJWBAWLRORLH-HHHXNRCGSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495806 555409550 /nfs/dbraw/zinc/40/95/50/555409550.db2.gz OIZJWBAWLRORLH-HHHXNRCGSA-N 1 1 492.627 5.067 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495873 555409881 /nfs/dbraw/zinc/40/98/81/555409881.db2.gz SAGGMFBNAFXQRQ-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495873 555409887 /nfs/dbraw/zinc/40/98/87/555409887.db2.gz SAGGMFBNAFXQRQ-SANMLTNESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495870 555410077 /nfs/dbraw/zinc/41/00/77/555410077.db2.gz HUNNHHXZPQRUQV-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495870 555410080 /nfs/dbraw/zinc/41/00/80/555410080.db2.gz HUNNHHXZPQRUQV-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495921 555410116 /nfs/dbraw/zinc/41/01/16/555410116.db2.gz QVINCDDXZIOUJN-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO 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Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500276 555438468 /nfs/dbraw/zinc/43/84/68/555438468.db2.gz VCRCWDGLUAXMRC-VWLOTQADSA-N 1 1 472.637 5.020 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500276 555438470 /nfs/dbraw/zinc/43/84/70/555438470.db2.gz VCRCWDGLUAXMRC-VWLOTQADSA-N 1 1 472.637 5.020 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500595 555441785 /nfs/dbraw/zinc/44/17/85/555441785.db2.gz GQUNQRZZJGQMDM-SANMLTNESA-N 1 1 476.669 5.779 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500596 555441906 /nfs/dbraw/zinc/44/19/06/555441906.db2.gz UYDCLPIQSKILLH-MUUNZHRXSA-N 1 1 498.675 5.712 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500629 555442062 /nfs/dbraw/zinc/44/20/62/555442062.db2.gz YDRDOWAKNFQVEF-VWLOTQADSA-N 1 1 462.642 5.470 40 0 JKABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500642 555442069 /nfs/dbraw/zinc/44/20/69/555442069.db2.gz XOBHMKTWJOGOOY-XMMPIXPASA-N 1 1 464.658 5.500 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500619 555442153 /nfs/dbraw/zinc/44/21/53/555442153.db2.gz ZAQRHAJRQDWOCO-MHZLTWQESA-N 1 1 484.648 5.208 40 0 JKABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500630 555442166 /nfs/dbraw/zinc/44/21/66/555442166.db2.gz XRPWNQMCCLYIJX-AREMUKBSSA-N 1 1 470.621 5.013 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500607 555442173 /nfs/dbraw/zinc/44/21/73/555442173.db2.gz RARIDUGYSZASEG-VWLOTQADSA-N 1 1 462.642 5.470 40 0 JKABMO Cc1cccc2cc(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c12 ZINC000013500618 555442218 /nfs/dbraw/zinc/44/22/18/555442218.db2.gz ZAQRHAJRQDWOCO-HHHXNRCGSA-N 1 1 484.648 5.208 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500677 555442621 /nfs/dbraw/zinc/44/26/21/555442621.db2.gz MAPBGMKPPIUUNK-AREMUKBSSA-N 1 1 492.668 5.560 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500756 555443371 /nfs/dbraw/zinc/44/33/71/555443371.db2.gz GGBYISCKZMEKBD-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500756 555443374 /nfs/dbraw/zinc/44/33/74/555443374.db2.gz GGBYISCKZMEKBD-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500985 555445788 /nfs/dbraw/zinc/44/57/88/555445788.db2.gz KVHJCBFFQDNHJU-SANMLTNESA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500985 555445794 /nfs/dbraw/zinc/44/57/94/555445794.db2.gz KVHJCBFFQDNHJU-SANMLTNESA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500986 555445908 /nfs/dbraw/zinc/44/59/08/555445908.db2.gz SMJJYNXEQNCOHR-AREMUKBSSA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500986 555445911 /nfs/dbraw/zinc/44/59/11/555445911.db2.gz SMJJYNXEQNCOHR-AREMUKBSSA-N 1 1 486.664 5.554 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500981 555445917 /nfs/dbraw/zinc/44/59/17/555445917.db2.gz SQSIHRYRAASVTK-MHZLTWQESA-N 1 1 498.675 5.914 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500981 555445920 /nfs/dbraw/zinc/44/59/20/555445920.db2.gz SQSIHRYRAASVTK-MHZLTWQESA-N 1 1 498.675 5.914 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500993 555446263 /nfs/dbraw/zinc/44/62/63/555446263.db2.gz XQSONDMSNVPBTN-MHZLTWQESA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500993 555446265 /nfs/dbraw/zinc/44/62/65/555446265.db2.gz XQSONDMSNVPBTN-MHZLTWQESA-N 1 1 496.615 5.050 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500998 555446371 /nfs/dbraw/zinc/44/63/71/555446371.db2.gz OZWYJISZMPHEBP-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500998 555446373 /nfs/dbraw/zinc/44/63/73/555446373.db2.gz OZWYJISZMPHEBP-HHHXNRCGSA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500999 555446378 /nfs/dbraw/zinc/44/63/78/555446378.db2.gz OZWYJISZMPHEBP-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500999 555446380 /nfs/dbraw/zinc/44/63/80/555446380.db2.gz OZWYJISZMPHEBP-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501065 555447154 /nfs/dbraw/zinc/44/71/54/555447154.db2.gz OHCFFJCQWCCPTM-QFIPXVFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501065 555447156 /nfs/dbraw/zinc/44/71/56/555447156.db2.gz OHCFFJCQWCCPTM-QFIPXVFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501064 555447265 /nfs/dbraw/zinc/44/72/65/555447265.db2.gz OHCFFJCQWCCPTM-JOCHJYFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501064 555447267 /nfs/dbraw/zinc/44/72/67/555447267.db2.gz OHCFFJCQWCCPTM-JOCHJYFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501092 555447292 /nfs/dbraw/zinc/44/72/92/555447292.db2.gz VRKSPUYSCDTPLK-XMMPIXPASA-N 1 1 474.609 5.059 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501081 555447303 /nfs/dbraw/zinc/44/73/03/555447303.db2.gz OSRYYDJIZGHQCF-SANMLTNESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501081 555447304 /nfs/dbraw/zinc/44/73/04/555447304.db2.gz OSRYYDJIZGHQCF-SANMLTNESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501088 555447320 /nfs/dbraw/zinc/44/73/20/555447320.db2.gz DCKNWMCSMIFRKK-AREMUKBSSA-N 1 1 484.648 5.466 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501162 555448057 /nfs/dbraw/zinc/44/80/57/555448057.db2.gz LXRAUNPQWLIIQE-AREMUKBSSA-N 1 1 470.621 5.157 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501172 555448180 /nfs/dbraw/zinc/44/81/80/555448180.db2.gz DSDVASXNBUVQEX-HHHXNRCGSA-N 1 1 484.648 5.352 40 0 JKABMO S=C(c1ccc(OCc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013547806 555490194 /nfs/dbraw/zinc/49/01/94/555490194.db2.gz XGYTXPKZLJFQAN-UHFFFAOYSA-N 1 1 478.661 6.348 40 0 JKABMO CCC(C)(C)Nc1c(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]c2ccc(C)cn21 ZINC000013563558 555498685 /nfs/dbraw/zinc/49/86/85/555498685.db2.gz GAOMMYCOUZGCIG-UHFFFAOYSA-N 1 1 461.997 7.208 40 0 JKABMO Cn1c(SCc2ccccc2)nnc1C1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000013565092 555500939 /nfs/dbraw/zinc/50/09/39/555500939.db2.gz QMDLJZYXEODSAP-UHFFFAOYSA-N 1 1 471.630 5.079 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ncoc1-c1cccs1 ZINC000013565405 555501714 /nfs/dbraw/zinc/50/17/14/555501714.db2.gz QNHASBSWELJHLE-UHFFFAOYSA-N 1 1 462.550 5.117 40 0 JKABMO Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000013616290 555536546 /nfs/dbraw/zinc/53/65/46/555536546.db2.gz OMDOPFWCNBJSMI-XZOQPEGZSA-N 1 1 481.770 6.451 40 0 JKABMO O=C(c1ccccc1CCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013688345 555581332 /nfs/dbraw/zinc/58/13/32/555581332.db2.gz CBAKXJMEHIFWGM-UHFFFAOYSA-N 1 1 460.621 6.019 40 0 JKABMO COc1ccc([C@@H]([NH2+]CC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)C(=O)c2ccco2)cc1 ZINC000013774453 555615422 /nfs/dbraw/zinc/61/54/22/555615422.db2.gz RKZLOOJIGRCSPB-AVPJRLCVSA-N 1 1 479.592 6.320 40 0 JKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2)C1 ZINC000020112219 555649633 /nfs/dbraw/zinc/64/96/33/555649633.db2.gz FCDNAPDEHMPKRW-JOCHJYFZSA-N 1 1 455.602 5.143 40 0 JKABMO O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013964940 555666197 /nfs/dbraw/zinc/66/61/97/555666197.db2.gz GEXNFSYXJLTOKZ-UHFFFAOYSA-N 1 1 483.615 6.449 40 0 JKABMO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000014277142 555785125 /nfs/dbraw/zinc/78/51/25/555785125.db2.gz IKAGSYLKIBZLHB-UHFFFAOYSA-N 1 1 490.648 5.398 40 0 JKABMO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000014291053 555791931 /nfs/dbraw/zinc/79/19/31/555791931.db2.gz LWMQDNSHNMRVFS-UHFFFAOYSA-N 1 1 478.036 6.093 40 0 JKABMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014398143 555803821 /nfs/dbraw/zinc/80/38/21/555803821.db2.gz BGTXPNJGFFEKNW-HSZRJFAPSA-N 1 1 456.630 5.685 40 0 JKABMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014398145 555803900 /nfs/dbraw/zinc/80/39/00/555803900.db2.gz BGTXPNJGFFEKNW-QHCPKHFHSA-N 1 1 456.630 5.685 40 0 JKABMO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022537530 555934265 /nfs/dbraw/zinc/93/42/65/555934265.db2.gz VCPQOCQCXUDHIX-UHFFFAOYSA-N 1 1 455.549 5.809 40 0 JKABMO CN1CC[NH+](CCCCN2c3ccccc3Sc3ccc(C(=O)c4ccccc4)cc32)CC1 ZINC000022859371 555962374 /nfs/dbraw/zinc/96/23/74/555962374.db2.gz YVRLVNJCHMOEHI-UHFFFAOYSA-N 1 1 457.643 5.548 40 0 JKABMO CCOc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@H+]1CC ZINC000012635667 556094768 /nfs/dbraw/zinc/09/47/68/556094768.db2.gz BHNGUYDXUPDCOT-HSZRJFAPSA-N 1 1 492.689 5.227 40 0 JKABMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000012644540 556097131 /nfs/dbraw/zinc/09/71/31/556097131.db2.gz RLRJOJHGCKBBON-UHFFFAOYSA-N 1 1 460.062 5.028 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCC[N@H+]3CC)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000012708912 556104133 /nfs/dbraw/zinc/10/41/33/556104133.db2.gz BMJVYXRJURWRDL-QFIPXVFZSA-N 1 1 483.012 5.099 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2Cl)CC1 ZINC000016681543 556150917 /nfs/dbraw/zinc/15/09/17/556150917.db2.gz YBDVTSCJVKNATN-UHFFFAOYSA-N 1 1 487.987 5.508 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2Cl)CC1 ZINC000016681529 556150981 /nfs/dbraw/zinc/15/09/81/556150981.db2.gz IQEVDQLZPZXAEX-UHFFFAOYSA-N 1 1 457.199 5.150 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000016681591 556151064 /nfs/dbraw/zinc/15/10/64/556151064.db2.gz WPVFMLKCXGYNDF-UHFFFAOYSA-N 1 1 487.456 5.415 40 0 JKABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688588 556152142 /nfs/dbraw/zinc/15/21/42/556152142.db2.gz FEILSOMMRRLOAA-UHFFFAOYSA-N 1 1 451.781 6.309 40 0 JKABMO OCCN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016768292 556158464 /nfs/dbraw/zinc/15/84/64/556158464.db2.gz BTWRTUSAKDDCOU-UHFFFAOYSA-N 1 1 454.961 5.740 40 0 JKABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(Cc2ccccc2)C(C)C)cc1 ZINC000016768375 556158862 /nfs/dbraw/zinc/15/88/62/556158862.db2.gz PGEYFLKOKAHCPI-UHFFFAOYSA-N 1 1 462.597 6.901 40 0 JKABMO CC[N@H+]1CCC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3ccc(Cl)cc32)C1 ZINC000016975554 556193913 /nfs/dbraw/zinc/19/39/13/556193913.db2.gz PQFAFWJBAOARNU-MRXNPFEDSA-N 1 1 450.801 6.230 40 0 JKABMO COc1ccc2c(c1OC)/C(=C/c1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000017328715 556258723 /nfs/dbraw/zinc/25/87/23/556258723.db2.gz WZFFWDNRLXHYID-OLJMTGMTSA-N 1 1 487.552 5.240 40 0 JKABMO COc1ccc2c(c1OC)/C(=C/c1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000017328715 556258727 /nfs/dbraw/zinc/25/87/27/556258727.db2.gz WZFFWDNRLXHYID-OLJMTGMTSA-N 1 1 487.552 5.240 40 0 JKABMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017356593 556259432 /nfs/dbraw/zinc/25/94/32/556259432.db2.gz HXXCMCOECIEQJE-UHFFFAOYSA-N 1 1 487.003 5.256 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063797 556261166 /nfs/dbraw/zinc/26/11/66/556261166.db2.gz NOFGDGZKAWVPNR-QHCPKHFHSA-N 1 1 450.631 5.254 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063800 556261204 /nfs/dbraw/zinc/26/12/04/556261204.db2.gz XACPBDNVFLNUOG-RUZDIDTESA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063800 556261207 /nfs/dbraw/zinc/26/12/07/556261207.db2.gz XACPBDNVFLNUOG-RUZDIDTESA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064554 556262245 /nfs/dbraw/zinc/26/22/45/556262245.db2.gz RIMQFUVWNWWTGJ-QHCPKHFHSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064613 556262276 /nfs/dbraw/zinc/26/22/76/556262276.db2.gz GRRHGRWRZGTLDA-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064613 556262278 /nfs/dbraw/zinc/26/22/78/556262278.db2.gz GRRHGRWRZGTLDA-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064598 556262457 /nfs/dbraw/zinc/26/24/57/556262457.db2.gz TYEOIYSNYMWRDA-MHZLTWQESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064598 556262463 /nfs/dbraw/zinc/26/24/63/556262463.db2.gz TYEOIYSNYMWRDA-MHZLTWQESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064846 556262828 /nfs/dbraw/zinc/26/28/28/556262828.db2.gz VATSQIAXMBNONH-AREMUKBSSA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065030 556263189 /nfs/dbraw/zinc/26/31/89/556263189.db2.gz JMLMKZONVXUWTI-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065030 556263191 /nfs/dbraw/zinc/26/31/91/556263191.db2.gz JMLMKZONVXUWTI-RUZDIDTESA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065026 556263426 /nfs/dbraw/zinc/26/34/26/556263426.db2.gz JWEANCRQDKOUDK-JOCHJYFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065026 556263428 /nfs/dbraw/zinc/26/34/28/556263428.db2.gz JWEANCRQDKOUDK-JOCHJYFZSA-N 1 1 450.631 5.172 40 0 JKABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000028220660 556325561 /nfs/dbraw/zinc/32/55/61/556325561.db2.gz MDJLKVNWJIANTI-MHZLTWQESA-N 1 1 488.075 5.486 40 0 JKABMO CC1=C[C@@H](C[N@@H+](C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883502 556387051 /nfs/dbraw/zinc/38/70/51/556387051.db2.gz VQBYVSDAOPFBGF-HWBMXIPRSA-N 1 1 462.613 5.842 40 0 biogenic,in-vitro JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030937895 556388467 /nfs/dbraw/zinc/38/84/67/556388467.db2.gz YDTCUPSZFFMRLF-IBGZPJMESA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030937895 556388470 /nfs/dbraw/zinc/38/84/70/556388470.db2.gz YDTCUPSZFFMRLF-IBGZPJMESA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030941363 556388512 /nfs/dbraw/zinc/38/85/12/556388512.db2.gz KZLBLZFSKFJHEG-IBGZPJMESA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030941363 556388516 /nfs/dbraw/zinc/38/85/16/556388516.db2.gz KZLBLZFSKFJHEG-IBGZPJMESA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030941375 556388712 /nfs/dbraw/zinc/38/87/12/556388712.db2.gz IEUAWBNESPYTRB-SFHVURJKSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030941375 556388715 /nfs/dbraw/zinc/38/87/15/556388715.db2.gz IEUAWBNESPYTRB-SFHVURJKSA-N 1 1 455.385 6.636 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944182 556389146 /nfs/dbraw/zinc/38/91/46/556389146.db2.gz CBSQYLDQBRHOTN-OAQYLSRUSA-N 1 1 453.413 6.111 40 0 JKABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944182 556389150 /nfs/dbraw/zinc/38/91/50/556389150.db2.gz CBSQYLDQBRHOTN-OAQYLSRUSA-N 1 1 453.413 6.111 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030943351 556389188 /nfs/dbraw/zinc/38/91/88/556389188.db2.gz IQRHMAFXLAJRJE-GOSISDBHSA-N 1 1 463.405 5.801 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030943351 556389191 /nfs/dbraw/zinc/38/91/91/556389191.db2.gz IQRHMAFXLAJRJE-GOSISDBHSA-N 1 1 463.405 5.801 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030943354 556389223 /nfs/dbraw/zinc/38/92/23/556389223.db2.gz IQRHMAFXLAJRJE-SFHVURJKSA-N 1 1 463.405 5.801 40 0 JKABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030943354 556389225 /nfs/dbraw/zinc/38/92/25/556389225.db2.gz IQRHMAFXLAJRJE-SFHVURJKSA-N 1 1 463.405 5.801 40 0 JKABMO CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C1 ZINC000031622717 556400425 /nfs/dbraw/zinc/40/04/25/556400425.db2.gz XXLZPUYGHQWHRN-JWQCQUIFSA-N 1 1 478.633 5.008 40 0 JKABMO c1ccc2ncc(C[N@@H+]3CCC[C@H]3c3nc(-c4ccc(OC5CCCCC5)nc4)no3)cc2c1 ZINC000035425496 560080300 /nfs/dbraw/zinc/08/03/00/560080300.db2.gz DPFSYEQYZIYPIH-DEOSSOPVSA-N 1 1 455.562 5.728 40 0 biogenic,in-vitro JKABMO c1ccc2ncc(C[N@H+]3CCC[C@H]3c3nc(-c4ccc(OC5CCCCC5)nc4)no3)cc2c1 ZINC000035425496 560080302 /nfs/dbraw/zinc/08/03/02/560080302.db2.gz DPFSYEQYZIYPIH-DEOSSOPVSA-N 1 1 455.562 5.728 40 0 biogenic,in-vitro JKABMO COc1ccc(/C=C/C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000033954104 563111293 /nfs/dbraw/zinc/11/12/93/563111293.db2.gz CELDOXOGIZIYPY-ONEGZZNKSA-N 1 1 464.556 5.402 40 0 in-man JKABMO COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000040664622 563147358 /nfs/dbraw/zinc/14/73/58/563147358.db2.gz OMPCVMLFFSQFIX-CONSDPRKSA-N 1 1 468.685 6.377 40 0 in-man JKABMO CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4[N@@H+](C)[C@@H](Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615754 569592247 /nfs/dbraw/zinc/59/22/47/569592247.db2.gz FBNPCQXAZFRQOI-UIIORGGWSA-N 1 1 477.821 9.013 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2Cl)CC1 ZINC000057335667 569599119 /nfs/dbraw/zinc/59/91/19/569599119.db2.gz QCBUNLKMANWPNH-UHFFFAOYSA-N 1 1 480.834 5.041 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000059436913 569603888 /nfs/dbraw/zinc/60/38/88/569603888.db2.gz GWNFDDSYBXOJHN-UHFFFAOYSA-N 1 1 484.427 5.254 40 0 JKABMO CC(C)Oc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059557285 569606719 /nfs/dbraw/zinc/60/67/19/569606719.db2.gz XOHVZFJSYLUIDP-UHFFFAOYSA-N 1 1 464.009 5.702 40 0 JKABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1Cl ZINC000059558983 569606738 /nfs/dbraw/zinc/60/67/38/569606738.db2.gz HFQCVCBBNJRKHV-UHFFFAOYSA-N 1 1 499.467 5.442 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000059559203 569606886 /nfs/dbraw/zinc/60/68/86/569606886.db2.gz FLLPWNUFCUTIBL-UHFFFAOYSA-N 1 1 474.819 6.221 40 0 JKABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000059559220 569606944 /nfs/dbraw/zinc/60/69/44/569606944.db2.gz LFWDLOJRJHUWQC-UHFFFAOYSA-N 1 1 474.819 6.221 40 0 JKABMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059960775 569608257 /nfs/dbraw/zinc/60/82/57/569608257.db2.gz ZVVKOJPJOWVEPA-HXUWFJFHSA-N 1 1 451.035 5.754 40 0 JKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000033863175 569636522 /nfs/dbraw/zinc/63/65/22/569636522.db2.gz ZXJNVERNWZBTAB-UHFFFAOYSA-N 1 1 497.064 5.486 40 0 JKABMO Fc1ccc(COc2ccc(Br)cc2C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035058243 569674161 /nfs/dbraw/zinc/67/41/61/569674161.db2.gz XSVOGZFCADQYJV-UHFFFAOYSA-N 1 1 499.449 5.661 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc(F)cc1 ZINC000035176704 569677369 /nfs/dbraw/zinc/67/73/69/569677369.db2.gz NVMWEYUMDXSHGB-UHFFFAOYSA-N 1 1 464.606 5.297 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1cccc(F)c1 ZINC000035363576 569682524 /nfs/dbraw/zinc/68/25/24/569682524.db2.gz JRHZUONEAHTIKN-UHFFFAOYSA-N 1 1 464.606 5.297 40 0 JKABMO C[N@H+]1CCCC[C@@H](n2cc(C(=O)c3ccccc3I)c3ccccc32)C1 ZINC000095705005 569728570 /nfs/dbraw/zinc/72/85/70/569728570.db2.gz GSXZMBIYSUZVEW-MRXNPFEDSA-N 1 1 458.343 5.134 40 0 in-vitro JKABMO O=C(/C=C/c1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000036628164 569779009 /nfs/dbraw/zinc/77/90/09/569779009.db2.gz HGOUQRBKEYASNA-WUKNDPDISA-N 1 1 485.591 5.450 40 0 JKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000036628188 569779073 /nfs/dbraw/zinc/77/90/73/569779073.db2.gz ZUYWTWMRFSTNOI-UHFFFAOYSA-N 1 1 487.607 5.667 40 0 JKABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000038550311 569804894 /nfs/dbraw/zinc/80/48/94/569804894.db2.gz ZRQKIWOCYULNCN-IRGTZXILSA-N 1 1 455.683 5.942 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834830 569808741 /nfs/dbraw/zinc/80/87/41/569808741.db2.gz LNRXORDJTXLRJD-CYBMUJFWSA-N 1 1 489.184 5.449 40 0 JKABMO O=C(Nc1ccc(I)cc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834830 569808742 /nfs/dbraw/zinc/80/87/42/569808742.db2.gz LNRXORDJTXLRJD-CYBMUJFWSA-N 1 1 489.184 5.449 40 0 JKABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833090 569808784 /nfs/dbraw/zinc/80/87/84/569808784.db2.gz YMVFQVRERUXRLF-HSZRJFAPSA-N 1 1 467.440 6.434 40 0 JKABMO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039773409 569811937 /nfs/dbraw/zinc/81/19/37/569811937.db2.gz MRKWNRGDPSICGK-UHFFFAOYSA-N 1 1 450.168 6.290 40 0 JKABMO O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000040717993 569830446 /nfs/dbraw/zinc/83/04/46/569830446.db2.gz BTUARBGQLYVKLZ-BMRADRMJSA-N 1 1 498.026 6.574 40 0 JKABMO Fc1cccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Br)c1 ZINC000109043720 569860442 /nfs/dbraw/zinc/86/04/42/569860442.db2.gz NSAWHTZAMNMROV-UHFFFAOYSA-N 1 1 499.449 5.661 40 0 JKABMO COc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4Cl)CC3)s2)cc1 ZINC000222547428 569885533 /nfs/dbraw/zinc/88/55/33/569885533.db2.gz GUEHHUYNIDWTOR-UHFFFAOYSA-N 1 1 477.417 5.371 40 0 JKABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222975709 569895871 /nfs/dbraw/zinc/89/58/71/569895871.db2.gz ZNIKNKKDZRSJCF-GOSISDBHSA-N 1 1 455.440 5.417 40 0 JKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104402 569899576 /nfs/dbraw/zinc/89/95/76/569899576.db2.gz BSUTUQFZOUZGLV-RUZDIDTESA-N 1 1 469.467 5.807 40 0 JKABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000223104164 569899596 /nfs/dbraw/zinc/89/95/96/569899596.db2.gz ZAZJUXLPHRBSFI-VWLOTQADSA-N 1 1 459.461 6.352 40 0 JKABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104255 569899598 /nfs/dbraw/zinc/89/95/98/569899598.db2.gz ZBVXHVRQSXHKIN-RUZDIDTESA-N 1 1 459.461 6.352 40 0 JKABMO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)s1 ZINC000223138913 569900858 /nfs/dbraw/zinc/90/08/58/569900858.db2.gz JLJAUWWTYCPKOH-UHFFFAOYSA-N 1 1 459.468 5.444 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C(C)C ZINC000223269378 569905523 /nfs/dbraw/zinc/90/55/23/569905523.db2.gz UXDPZKWKJVNVEN-JOCHJYFZSA-N 1 1 456.630 6.176 40 0 JKABMO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1C(C)C ZINC000223349738 569908248 /nfs/dbraw/zinc/90/82/48/569908248.db2.gz BDBUOWCKRYHVJS-SFHVURJKSA-N 1 1 477.476 6.523 40 0 JKABMO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C(C)C ZINC000223349996 569908254 /nfs/dbraw/zinc/90/82/54/569908254.db2.gz VWKCPHFUQFCNJX-IBGZPJMESA-N 1 1 487.482 5.979 40 0 JKABMO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1C(C)C ZINC000223349815 569908261 /nfs/dbraw/zinc/90/82/61/569908261.db2.gz SVJIMUHXHSJYPE-GOSISDBHSA-N 1 1 477.476 6.523 40 0 JKABMO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000223488787 569913176 /nfs/dbraw/zinc/91/31/76/569913176.db2.gz XCXCWYCXBYRCSD-HNNXBMFYSA-N 1 1 451.394 5.100 40 0 JKABMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000223551948 569915684 /nfs/dbraw/zinc/91/56/84/569915684.db2.gz VDRWIBTULKEMFR-DEOSSOPVSA-N 1 1 456.630 5.820 40 0 JKABMO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000223555203 569915810 /nfs/dbraw/zinc/91/58/10/569915810.db2.gz WJPYGYNNENJNCW-UHFFFAOYSA-N 1 1 457.401 5.554 40 0 JKABMO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000223555451 569915847 /nfs/dbraw/zinc/91/58/47/569915847.db2.gz HHKCZOUANJAZCV-UHFFFAOYSA-N 1 1 467.407 5.010 40 0 JKABMO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000223625938 569918269 /nfs/dbraw/zinc/91/82/69/569918269.db2.gz WSJRTWCRNWUYGH-UHFFFAOYSA-N 1 1 457.401 5.554 40 0 JKABMO CCC1(CC)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 ZINC000224154703 569934745 /nfs/dbraw/zinc/93/47/45/569934745.db2.gz GAHHLASFUVHDFZ-QHCPKHFHSA-N 1 1 475.460 6.404 40 0 JKABMO CCC1(CC)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 ZINC000224154654 569934758 /nfs/dbraw/zinc/93/47/58/569934758.db2.gz GAHHLASFUVHDFZ-HSZRJFAPSA-N 1 1 475.460 6.404 40 0 JKABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224173751 569935335 /nfs/dbraw/zinc/93/53/35/569935335.db2.gz PHNXHAUMRDNHNX-UHFFFAOYSA-N 1 1 472.629 5.530 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224514127 569946888 /nfs/dbraw/zinc/94/68/88/569946888.db2.gz DXRBFFONKLCSEN-UHFFFAOYSA-N 1 1 486.656 5.920 40 0 JKABMO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224663202 569952693 /nfs/dbraw/zinc/95/26/93/569952693.db2.gz TVQMPMJNYWCWIB-UHFFFAOYSA-N 1 1 498.048 5.057 40 0 JKABMO CCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1COC(C)C ZINC000224719845 569954671 /nfs/dbraw/zinc/95/46/71/569954671.db2.gz NUFAFLNVSHAUOR-UHFFFAOYSA-N 1 1 472.629 5.558 40 0 JKABMO COc1cccc(-c2cnc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)c1 ZINC000224848969 569960274 /nfs/dbraw/zinc/96/02/74/569960274.db2.gz HGZLQSSRWGTWGN-UHFFFAOYSA-N 1 1 481.596 5.217 40 0 JKABMO O=C(c1cc(Br)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225071103 569973407 /nfs/dbraw/zinc/97/34/07/569973407.db2.gz XQJBXNJZCJYHCG-UHFFFAOYSA-N 1 1 469.810 5.650 40 0 JKABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1nccc(-c2cccs2)n1 ZINC000225220746 569983419 /nfs/dbraw/zinc/98/34/19/569983419.db2.gz XECPJGPTQZMQHP-UHFFFAOYSA-N 1 1 455.012 5.195 40 0 JKABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc(Oc2ccccc2)nn1 ZINC000225221683 569983529 /nfs/dbraw/zinc/98/35/29/569983529.db2.gz UJHYDKRNMSETAC-UHFFFAOYSA-N 1 1 464.982 5.259 40 0 JKABMO COC(=O)c1cc2cc(NC(=S)NCCNc3cc[nH+]c4cc(Cl)ccc34)ccc2s1 ZINC000225231239 569984412 /nfs/dbraw/zinc/98/44/12/569984412.db2.gz GDOWGQHNAMDCNT-UHFFFAOYSA-N 1 1 471.007 5.288 40 0 JKABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000225280948 569987996 /nfs/dbraw/zinc/98/79/96/569987996.db2.gz QGVWPNODTIONKD-UHFFFAOYSA-N 1 1 481.836 6.016 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225529094 570002899 /nfs/dbraw/zinc/00/28/99/570002899.db2.gz QDSZZDMGYLNMRY-LJQANCHMSA-N 1 1 475.460 6.697 40 0 JKABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 ZINC000225545637 570004460 /nfs/dbraw/zinc/00/44/60/570004460.db2.gz FDYAFCPUPHGYOZ-QFIPXVFZSA-N 1 1 452.614 6.167 40 0 JKABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 ZINC000225545245 570004482 /nfs/dbraw/zinc/00/44/82/570004482.db2.gz BBGASRXOAPFWPM-SZPZYZBQSA-N 1 1 452.614 6.023 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225553805 570005224 /nfs/dbraw/zinc/00/52/24/570005224.db2.gz JFGYRZPAIHGDCN-OAQYLSRUSA-N 1 1 455.042 6.434 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225554354 570005326 /nfs/dbraw/zinc/00/53/26/570005326.db2.gz UWVRVGUBGAXHLU-JOCHJYFZSA-N 1 1 469.069 6.824 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCCC[N@H+]4CCCC[C@@H]4C)cc3)CCCCC2)cc1 ZINC000225559468 570005644 /nfs/dbraw/zinc/00/56/44/570005644.db2.gz BBIQMBPEKNIBNZ-QHCPKHFHSA-N 1 1 464.650 6.179 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 ZINC000225558943 570005661 /nfs/dbraw/zinc/00/56/61/570005661.db2.gz RGMDOXRDQSRFRN-JOCHJYFZSA-N 1 1 450.623 5.647 40 0 JKABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCOCC2)c1 ZINC000225566832 570006207 /nfs/dbraw/zinc/00/62/07/570006207.db2.gz KDAXQYSTUFIOLS-ZRZAMGCNSA-N 1 1 450.623 5.039 40 0 JKABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CCOCC2)cc1 ZINC000225569111 570006342 /nfs/dbraw/zinc/00/63/42/570006342.db2.gz RCHOAKCNBQFKIK-ZRZAMGCNSA-N 1 1 450.623 5.039 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 ZINC000225572084 570006590 /nfs/dbraw/zinc/00/65/90/570006590.db2.gz PBVPDGMTCGODSE-NRFANRHFSA-N 1 1 454.586 5.156 40 0 JKABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000225574312 570006734 /nfs/dbraw/zinc/00/67/34/570006734.db2.gz FBQHHXITZBILQI-UHFFFAOYSA-N 1 1 450.985 5.920 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000225579849 570007152 /nfs/dbraw/zinc/00/71/52/570007152.db2.gz CKHGHCGIZFOEHO-HXUWFJFHSA-N 1 1 457.014 5.280 40 0 JKABMO C[C@@H](NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225579553 570007162 /nfs/dbraw/zinc/00/71/62/570007162.db2.gz DWAHUYMQTBUBAU-LJQANCHMSA-N 1 1 494.010 5.821 40 0 JKABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)C1 ZINC000225579964 570007230 /nfs/dbraw/zinc/00/72/30/570007230.db2.gz XIHDISQVFDCQFF-OYRHEFFESA-N 1 1 471.041 5.384 40 0 JKABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)C1 ZINC000225580317 570007253 /nfs/dbraw/zinc/00/72/53/570007253.db2.gz WCJOTBNXPURKTP-OAQYLSRUSA-N 1 1 471.041 5.528 40 0 JKABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1Cl ZINC000225583946 570007533 /nfs/dbraw/zinc/00/75/33/570007533.db2.gz HCLULKKQICMYRZ-UHFFFAOYSA-N 1 1 453.341 5.160 40 0 JKABMO CCn1c2ccccc2c2cc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)ccc21 ZINC000225584936 570007684 /nfs/dbraw/zinc/00/76/84/570007684.db2.gz BYVOGUFDZBDRGJ-UHFFFAOYSA-N 1 1 463.984 6.458 40 0 JKABMO Cc1cccc([C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c2ccccc2)c1 ZINC000225587584 570007893 /nfs/dbraw/zinc/00/78/93/570007893.db2.gz CVSBJVHETZTQAX-SANMLTNESA-N 1 1 450.985 5.905 40 0 JKABMO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OCC ZINC000225588800 570007952 /nfs/dbraw/zinc/00/79/52/570007952.db2.gz BNASDCKDMLNPMT-KRWDZBQOSA-N 1 1 462.993 5.366 40 0 JKABMO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225669037 570013636 /nfs/dbraw/zinc/01/36/36/570013636.db2.gz FIDNHYVKSFUENW-QHCPKHFHSA-N 1 1 454.614 5.267 40 0 JKABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000225737389 570018710 /nfs/dbraw/zinc/01/87/10/570018710.db2.gz UOTSYXJDPNBUDV-FQEVSTJZSA-N 1 1 451.680 5.624 40 0 JKABMO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225742645 570019164 /nfs/dbraw/zinc/01/91/64/570019164.db2.gz RNOBHPGEUOBCDL-DEOSSOPVSA-N 1 1 460.703 6.526 40 0 JKABMO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCC[N@H+]3CCc4ccccc4C3)c2)cc1 ZINC000225743748 570019263 /nfs/dbraw/zinc/01/92/63/570019263.db2.gz QGUGDKUQBWKTFC-UHFFFAOYSA-N 1 1 485.697 5.950 40 0 JKABMO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(Br)cc4)CC3)s2)cc1 ZINC000225808780 570022946 /nfs/dbraw/zinc/02/29/46/570022946.db2.gz NTVXQTKGBZOKFX-UHFFFAOYSA-N 1 1 471.424 5.127 40 0 JKABMO O=C(COc1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225811236 570023041 /nfs/dbraw/zinc/02/30/41/570023041.db2.gz MFWBZSJGQMLSHH-UHFFFAOYSA-N 1 1 454.492 5.018 40 0 JKABMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCc2cc(Br)ccc21 ZINC000225906765 570026995 /nfs/dbraw/zinc/02/69/95/570026995.db2.gz CCBQJRVJQCBTAR-INIZCTEOSA-N 1 1 468.222 5.557 40 0 JKABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCc2cc(Br)ccc21 ZINC000225906765 570026997 /nfs/dbraw/zinc/02/69/97/570026997.db2.gz CCBQJRVJQCBTAR-INIZCTEOSA-N 1 1 468.222 5.557 40 0 JKABMO CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(Cl)cc4Cl)C3)cc2)no1 ZINC000225907905 570027047 /nfs/dbraw/zinc/02/70/47/570027047.db2.gz VQUSBSJGMNQWNF-IBGZPJMESA-N 1 1 487.431 5.941 40 0 JKABMO CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4Cl)C3)cc2)no1 ZINC000225907905 570027049 /nfs/dbraw/zinc/02/70/49/570027049.db2.gz VQUSBSJGMNQWNF-IBGZPJMESA-N 1 1 487.431 5.941 40 0 JKABMO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCc2cc(Br)ccc21 ZINC000225909749 570027192 /nfs/dbraw/zinc/02/71/92/570027192.db2.gz LFJNXNZBZIJQEE-OAHLLOKOSA-N 1 1 468.222 5.557 40 0 JKABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCc2cc(Br)ccc21 ZINC000225909749 570027193 /nfs/dbraw/zinc/02/71/93/570027193.db2.gz LFJNXNZBZIJQEE-OAHLLOKOSA-N 1 1 468.222 5.557 40 0 JKABMO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000226069888 570035605 /nfs/dbraw/zinc/03/56/05/570035605.db2.gz STXCRGHWWQKWND-XMMPIXPASA-N 1 1 486.672 5.118 40 0 JKABMO CCOc1ccc([C@@H]2CN(Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000245227662 570055340 /nfs/dbraw/zinc/05/53/40/570055340.db2.gz RTSMZPMHQTZKTM-RRPNLBNLSA-N 1 1 484.562 6.132 40 0 JKABMO CCOc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000245227662 570055341 /nfs/dbraw/zinc/05/53/41/570055341.db2.gz RTSMZPMHQTZKTM-RRPNLBNLSA-N 1 1 484.562 6.132 40 0 JKABMO CCOc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000245227662 570055342 /nfs/dbraw/zinc/05/53/42/570055342.db2.gz RTSMZPMHQTZKTM-RRPNLBNLSA-N 1 1 484.562 6.132 40 0 JKABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[nH]c(NCc3ccccc3Cl)n2)o1 ZINC000247883158 570070546 /nfs/dbraw/zinc/07/05/46/570070546.db2.gz CMSWLPNHBBEDRR-FGZHOGPDSA-N 1 1 474.992 5.732 40 0 JKABMO C=C1[NH+]=C(SCc2ccccc2Cl)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985806 570092209 /nfs/dbraw/zinc/09/22/09/570092209.db2.gz BAOJCYCRJDKTGN-OAQYLSRUSA-N 1 1 491.009 5.137 40 0 JKABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCCn3ccnc3C)cc2)CC1 ZINC000257210497 570111313 /nfs/dbraw/zinc/11/13/13/570111313.db2.gz BUXOPCUCMJPRBR-NDEPHWFRSA-N 1 1 481.612 5.250 40 0 JKABMO O=C1CCC[C@]2(C[N@H+](Cc3cccc(-c4ccccc4F)c3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257212118 570111701 /nfs/dbraw/zinc/11/17/01/570111701.db2.gz CCAILEJVFIQFCQ-WXVAWEFUSA-N 1 1 450.504 5.409 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257217097 570113346 /nfs/dbraw/zinc/11/33/46/570113346.db2.gz CXLIQVUMIYWEBQ-DEOSSOPVSA-N 1 1 468.576 5.385 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)C1 ZINC000257221848 570114564 /nfs/dbraw/zinc/11/45/64/570114564.db2.gz DQUHITIIARTSMX-JWQCQUIFSA-N 1 1 485.411 5.378 40 0 JKABMO CCc1nccn1CCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000257229041 570116741 /nfs/dbraw/zinc/11/67/41/570116741.db2.gz FWLZEGWVOCQJHD-NDEPHWFRSA-N 1 1 498.067 5.201 40 0 JKABMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@H]3CCN(C(=O)COc4ccccc4)C[C@@H]23)cc1 ZINC000257229357 570116839 /nfs/dbraw/zinc/11/68/39/570116839.db2.gz FXTTYDVPWQRNCX-AWCRTANDSA-N 1 1 454.614 5.145 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000257232466 570117775 /nfs/dbraw/zinc/11/77/75/570117775.db2.gz GKYZSFAENAWLQI-SANMLTNESA-N 1 1 464.613 5.554 40 0 JKABMO CC(=O)n1cc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c2ccccc21 ZINC000257234650 570118443 /nfs/dbraw/zinc/11/84/43/570118443.db2.gz GUNINICQUYGEAX-LJQANCHMSA-N 1 1 459.615 5.644 40 0 JKABMO Cc1nc2ccc(CCC(=O)N3CCC[C@@H]3c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)cc2[nH]1 ZINC000257241367 570120538 /nfs/dbraw/zinc/12/05/38/570120538.db2.gz HXUONCNTFMDHKG-AREMUKBSSA-N 1 1 492.545 6.172 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](CC3CC3)C2)ccc1Cl ZINC000257246162 570121912 /nfs/dbraw/zinc/12/19/12/570121912.db2.gz ISVGTJKYQHILSN-MHZLTWQESA-N 1 1 455.042 5.568 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(C(F)(F)F)c2)C1 ZINC000257262040 570127039 /nfs/dbraw/zinc/12/70/39/570127039.db2.gz LJTUJBLUTKWDNC-JWQCQUIFSA-N 1 1 484.518 5.090 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)ccc1Cl ZINC000257266134 570128342 /nfs/dbraw/zinc/12/83/42/570128342.db2.gz MBSYNUBXIQXYQR-NDEPHWFRSA-N 1 1 496.051 5.040 40 0 JKABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)ccc1Cl ZINC000257266133 570128362 /nfs/dbraw/zinc/12/83/62/570128362.db2.gz MBSYNUBXIQXYQR-MUUNZHRXSA-N 1 1 496.051 5.040 40 0 JKABMO CN1C(=O)CCCC[C@]12C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@H]2c1ccccc1 ZINC000257266532 570128604 /nfs/dbraw/zinc/12/86/04/570128604.db2.gz MDKAIRDCWZHOBH-LITSAYRRSA-N 1 1 455.602 5.031 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2cccc(C)c2)C1 ZINC000257267102 570128745 /nfs/dbraw/zinc/12/87/45/570128745.db2.gz MFZLTDMMCKATIS-QHCPKHFHSA-N 1 1 467.573 5.150 40 0 JKABMO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c1O)OC2(C)C ZINC000257267744 570128797 /nfs/dbraw/zinc/12/87/97/570128797.db2.gz MIPABCHZQVKTLR-NZRJUOQRSA-N 1 1 462.634 5.477 40 0 JKABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc(OCCn3cc(C)cn3)cc2)CC1 ZINC000257271797 570130237 /nfs/dbraw/zinc/13/02/37/570130237.db2.gz MZVGIPFPMRSIAH-NDEPHWFRSA-N 1 1 463.622 5.029 40 0 JKABMO Cc1cc(C(=O)N2Cc3ccccc3OC3(CCC([N@@H+](C)CC4CCCCCCC4)CC3)C2)cs1 ZINC000257272985 570130625 /nfs/dbraw/zinc/13/06/25/570130625.db2.gz NETJVXLIWMYPAG-UHFFFAOYSA-N 1 1 494.745 7.065 40 0 JKABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cccnc4-c4cncs4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257273581 570130767 /nfs/dbraw/zinc/13/07/67/570130767.db2.gz NHGMZBUCYWDALH-ZEQWEQIFSA-N 1 1 472.658 5.294 40 0 JKABMO COc1ccccc1-c1cccc(C[N@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)c1 ZINC000257278617 570132311 /nfs/dbraw/zinc/13/23/11/570132311.db2.gz OCYFBPVQCYXDCH-NEKDWFFYSA-N 1 1 462.540 5.279 40 0 JKABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2Cc2cccc(OCc3cccnc3)c2)cc1 ZINC000257283535 570133706 /nfs/dbraw/zinc/13/37/06/570133706.db2.gz OYTFBHOMGMLZLI-YCVJPRETSA-N 1 1 471.601 5.044 40 0 JKABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+]2Cc2cccc(Oc3ncccn3)c2)n1 ZINC000257284406 570133971 /nfs/dbraw/zinc/13/39/71/570133971.db2.gz PCOLYGHPZNKBDY-QFIPXVFZSA-N 1 1 458.953 5.299 40 0 JKABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257290123 570135603 /nfs/dbraw/zinc/13/56/03/570135603.db2.gz QBROGYOKUPUYDO-XRKRLSELSA-N 1 1 472.585 5.258 40 0 JKABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257290123 570135604 /nfs/dbraw/zinc/13/56/04/570135604.db2.gz QBROGYOKUPUYDO-XRKRLSELSA-N 1 1 472.585 5.258 40 0 JKABMO CC(C)c1ncc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)cn1 ZINC000257289824 570135615 /nfs/dbraw/zinc/13/56/15/570135615.db2.gz QAIPGTJQCBIPEF-UHFFFAOYSA-N 1 1 486.660 5.310 40 0 JKABMO O=C(Cc1ccccc1)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257291665 570135943 /nfs/dbraw/zinc/13/59/43/570135943.db2.gz QICCAYUAOKFJOQ-NVQXNPDNSA-N 1 1 482.455 6.233 40 0 JKABMO CC(C)(C)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)cc1 ZINC000257291551 570135947 /nfs/dbraw/zinc/13/59/47/570135947.db2.gz QHMUYBXDHQHEJJ-NSOVKSMOSA-N 1 1 472.629 5.368 40 0 JKABMO O=C(Cc1ccccc1)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257291662 570135996 /nfs/dbraw/zinc/13/59/96/570135996.db2.gz QICCAYUAOKFJOQ-ATIYNZHBSA-N 1 1 482.455 6.233 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4)n3)CC2)c1 ZINC000257314138 570142705 /nfs/dbraw/zinc/14/27/05/570142705.db2.gz UVMHIBREPHJEJK-UHFFFAOYSA-N 1 1 467.573 5.150 40 0 JKABMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](c4ccc(F)c(F)c4)[C@]4(C3)CCCC(=O)N4)cc2)cc1 ZINC000257317923 570143907 /nfs/dbraw/zinc/14/39/07/570143907.db2.gz VLSTUCFSPNJQIN-RBJSKKJNSA-N 1 1 462.540 5.279 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000257339795 570150398 /nfs/dbraw/zinc/15/03/98/570150398.db2.gz ZDFJNLGLGPFEIJ-HSZRJFAPSA-N 1 1 467.573 5.150 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)ccc1Cl ZINC000257344256 570151739 /nfs/dbraw/zinc/15/17/39/570151739.db2.gz ZWIBRIFINVEFOY-NDEPHWFRSA-N 1 1 496.051 5.040 40 0 JKABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000260833552 570159615 /nfs/dbraw/zinc/15/96/15/570159615.db2.gz YXKCMFRDRYPECB-CABCVRRESA-N 1 1 482.249 5.946 40 0 JKABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000260833552 570159616 /nfs/dbraw/zinc/15/96/16/570159616.db2.gz YXKCMFRDRYPECB-CABCVRRESA-N 1 1 482.249 5.946 40 0 JKABMO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)CN2C(=O)OC(C)(C)C ZINC000306146009 570178860 /nfs/dbraw/zinc/17/88/60/570178860.db2.gz ZCNGXDOZGPHJJR-LJQANCHMSA-N 1 1 499.574 5.357 40 0 JKABMO COc1cc2c(cc1OCc1ccccc1)[C@@H](/C=C/c1ccc(OCc3ccccc3)cc1)[N@H+](C)CC2 ZINC000003847444 194364369 /nfs/dbraw/zinc/36/43/69/194364369.db2.gz UIHCHIFWZUJPBJ-LILAQJHVSA-N 1 1 491.631 7.096 40 0 JKABMO COc1cc2c(cc1OCc1ccccc1)[C@@H](/C=C/c1ccc(OCc3ccccc3)cc1)[N@@H+](C)CC2 ZINC000003847444 194364371 /nfs/dbraw/zinc/36/43/71/194364371.db2.gz UIHCHIFWZUJPBJ-LILAQJHVSA-N 1 1 491.631 7.096 40 0 JKABMO O=S1(=O)[C@H](c2ccccc2)[C@H]([NH+]2CCCCC2)[C@@H]1[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000057675722 195357394 /nfs/dbraw/zinc/35/73/94/195357394.db2.gz RRIBTWMCISRUHX-BFTLNNFCSA-N 1 1 469.650 5.677 40 0 in-vitro JKABMO COc1cc2c(cc1OC)C[N@H+](Cc1cc3sccc3n1Cc1ccc(C(C)(C)C)cc1)CC2 ZINC000057719679 195358395 /nfs/dbraw/zinc/35/83/95/195358395.db2.gz SAWHPVSLUDQMFC-UHFFFAOYSA-N 1 1 474.670 6.624 40 0 JKABMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc3sccc3n1Cc1ccc(C(C)(C)C)cc1)CC2 ZINC000057719679 195358398 /nfs/dbraw/zinc/35/83/98/195358398.db2.gz SAWHPVSLUDQMFC-UHFFFAOYSA-N 1 1 474.670 6.624 40 0 JKABMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](c4cc5nc(C)cc(C(F)(F)F)n5n4)C3)o2)cc1 ZINC000057774777 195360222 /nfs/dbraw/zinc/36/02/22/195360222.db2.gz BHFQJOFWZKBOIA-KRWDZBQOSA-N 1 1 456.468 5.315 40 0 JKABMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4cc5nc(C)cc(C(F)(F)F)n5n4)C3)o2)cc1 ZINC000057774771 195360359 /nfs/dbraw/zinc/36/03/59/195360359.db2.gz BHFQJOFWZKBOIA-QGZVFWFLSA-N 1 1 456.468 5.315 40 0 JKABMO CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(CC[N@@H+](C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 ZINC000043763985 519828885 /nfs/dbraw/zinc/82/88/85/519828885.db2.gz VHHVPDKNKPNKHY-MFMCTBQISA-N 1 1 491.651 6.035 40 0 in-vitro JKABMO CCOc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OCC ZINC000020483478 520941040 /nfs/dbraw/zinc/94/10/40/520941040.db2.gz JOYVTOLPFRMTMM-UHFFFAOYSA-N 1 1 472.629 5.350 40 0 JKABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4c[nH]c5ccccc45)n3)cn2)cc1 ZINC000049155224 523747222 /nfs/dbraw/zinc/74/72/22/523747222.db2.gz AALXVKLHYGYCNB-DEOSSOPVSA-N 1 1 494.555 5.211 40 0 biogenic,in-vitro JKABMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 ZINC000036628439 524140256 /nfs/dbraw/zinc/14/02/56/524140256.db2.gz URCUFTOVMHTNKS-FOCLMDBBSA-N 1 1 499.618 5.758 40 0 JKABMO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3cnc4ccccc4c3)C2)cc1 ZINC000020503247 525947359 /nfs/dbraw/zinc/94/73/59/525947359.db2.gz URHCFEXFAXIDFF-NZQKXSOJSA-N 1 1 453.611 5.405 40 0 biogenic,in-vitro JKABMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000016449712 526950877 /nfs/dbraw/zinc/95/08/77/526950877.db2.gz HHVJPRALADCOHX-UHFFFAOYSA-N 1 1 485.636 7.278 40 0 JKABMO CCc1cc([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001235987 553936827 /nfs/dbraw/zinc/93/68/27/553936827.db2.gz QPMFTKSYUZOAND-QHCPKHFHSA-N 1 1 454.039 5.553 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001327065 553942427 /nfs/dbraw/zinc/94/24/27/553942427.db2.gz VSSLLLWJMWCAQP-QFIPXVFZSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000001332275 553947249 /nfs/dbraw/zinc/94/72/49/553947249.db2.gz FQEWMUARACSHRI-HSZRJFAPSA-N 1 1 483.081 5.482 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1cc(C)ccc1C ZINC000001332265 553947289 /nfs/dbraw/zinc/94/72/89/553947289.db2.gz OLUCRHSOSJFOKD-DEOSSOPVSA-N 1 1 476.690 5.445 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001352968 553956184 /nfs/dbraw/zinc/95/61/84/553956184.db2.gz WHGVAPSZOJGQBG-QFIPXVFZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl ZINC000001352960 553956195 /nfs/dbraw/zinc/95/61/95/553956195.db2.gz ZOUFIKDPNAAWPD-FQEVSTJZSA-N 1 1 452.986 5.008 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1 ZINC000001353329 553956500 /nfs/dbraw/zinc/95/65/00/553956500.db2.gz AYGGCGZLFLCSDD-JOCHJYFZSA-N 1 1 452.986 5.008 40 0 JKABMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001359109 553957979 /nfs/dbraw/zinc/95/79/79/553957979.db2.gz TWRQDZXFFLQXGI-UHFFFAOYSA-N 1 1 471.310 5.707 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001371370 553961735 /nfs/dbraw/zinc/96/17/35/553961735.db2.gz QDONBWCFXDQLNV-QFIPXVFZSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001371582 553961796 /nfs/dbraw/zinc/96/17/96/553961796.db2.gz GMWACHHFMHQJCL-QHCPKHFHSA-N 1 1 467.013 5.317 40 0 JKABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000001371372 553961819 /nfs/dbraw/zinc/96/18/19/553961819.db2.gz QDONBWCFXDQLNV-JOCHJYFZSA-N 1 1 467.013 5.317 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000001375174 553963097 /nfs/dbraw/zinc/96/30/97/553963097.db2.gz VFMNDLNMKPQCOR-VWLOTQADSA-N 1 1 474.609 5.059 40 0 JKABMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c1C ZINC000001448844 553973364 /nfs/dbraw/zinc/97/33/64/553973364.db2.gz UQVCOIANJQIJQW-NRFANRHFSA-N 1 1 475.561 5.148 40 0 JKABMO CCc1cc([C@@H](c2ccc(Br)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551866 554235265 /nfs/dbraw/zinc/23/52/65/554235265.db2.gz OYGVLFFWHOQMAE-HSZRJFAPSA-N 1 1 483.475 6.901 40 0 JKABMO CCc1cc([C@@H](c2ccc(Br)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551874 554235654 /nfs/dbraw/zinc/23/56/54/554235654.db2.gz VUUUDKHKXOWDDS-XMMPIXPASA-N 1 1 497.502 7.147 40 0 JKABMO CCc1cc([C@H](c2ccc(Br)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000002551868 554235661 /nfs/dbraw/zinc/23/56/61/554235661.db2.gz OYGVLFFWHOQMAE-QHCPKHFHSA-N 1 1 483.475 6.901 40 0 JKABMO CCOC(=O)C1CC[NH+]([C@@H](c2c(NC(C)=O)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000002700650 554294073 /nfs/dbraw/zinc/29/40/73/554294073.db2.gz ZVQHJKRHSXBPEY-HSZRJFAPSA-N 1 1 458.599 5.089 40 0 JKABMO CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1 ZINC000004097449 554473566 /nfs/dbraw/zinc/47/35/66/554473566.db2.gz XXLZPUYGHQWHRN-RPBOFIJWSA-N 1 1 478.633 5.008 40 0 investigational JKABMO CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000006135992 554507875 /nfs/dbraw/zinc/50/78/75/554507875.db2.gz QIDDVIIQYDDLQP-RPBOFIJWSA-N 1 1 490.394 5.864 40 0 JKABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000008782791 554679835 /nfs/dbraw/zinc/67/98/35/554679835.db2.gz UATSORGDFWLUQU-DZGCQCFKSA-N 1 1 498.958 5.551 40 0 JKABMO C[NH+]1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2Cl)CC1 ZINC000008832654 554727574 /nfs/dbraw/zinc/72/75/74/554727574.db2.gz VLJPXSKXCULBTD-UHFFFAOYSA-N 1 1 454.810 5.866 40 0 JKABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000008902321 554796311 /nfs/dbraw/zinc/79/63/11/554796311.db2.gz GXZLAYPPRDXZSR-UHFFFAOYSA-N 1 1 478.807 6.301 40 0 JKABMO O=C(NCCSCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063671 554881410 /nfs/dbraw/zinc/88/14/10/554881410.db2.gz SUAXIKVCZYNPIG-UHFFFAOYSA-N 1 1 455.426 5.394 40 0 JKABMO O=C(c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1 ZINC000009144782 554936599 /nfs/dbraw/zinc/93/65/99/554936599.db2.gz IPWAFJULWVHAIF-BWMKXQIXSA-N 1 1 459.589 6.284 40 0 JKABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158756 554948614 /nfs/dbraw/zinc/94/86/14/554948614.db2.gz PFLHLGZYSZANII-GHPJVDHGSA-N 1 1 474.601 5.164 40 0 JKABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)c1 ZINC000009158756 554948616 /nfs/dbraw/zinc/94/86/16/554948616.db2.gz PFLHLGZYSZANII-GHPJVDHGSA-N 1 1 474.601 5.164 40 0 JKABMO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N@@H+](C)CC3)OCO2 ZINC000009186783 554959131 /nfs/dbraw/zinc/95/91/31/554959131.db2.gz RXLGJHRPYZIAAS-NLSFWIRASA-N 1 1 465.634 5.590 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494551 555404883 /nfs/dbraw/zinc/40/48/83/555404883.db2.gz RAXKJXDBRCNKJO-VWLOTQADSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494551 555404886 /nfs/dbraw/zinc/40/48/86/555404886.db2.gz RAXKJXDBRCNKJO-VWLOTQADSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494563 555404894 /nfs/dbraw/zinc/40/48/94/555404894.db2.gz DVCIZVVAOTYIFS-VWLOTQADSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494563 555404897 /nfs/dbraw/zinc/40/48/97/555404897.db2.gz DVCIZVVAOTYIFS-VWLOTQADSA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494541 555404929 /nfs/dbraw/zinc/40/49/29/555404929.db2.gz DEXUATIRAYGRHG-XMMPIXPASA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494541 555404933 /nfs/dbraw/zinc/40/49/33/555404933.db2.gz DEXUATIRAYGRHG-XMMPIXPASA-N 1 1 472.637 5.082 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495801 555409524 /nfs/dbraw/zinc/40/95/24/555409524.db2.gz CWJZECASLISFSW-DEOSSOPVSA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495801 555409527 /nfs/dbraw/zinc/40/95/27/555409527.db2.gz CWJZECASLISFSW-DEOSSOPVSA-N 1 1 472.637 5.164 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495837 555409734 /nfs/dbraw/zinc/40/97/34/555409734.db2.gz DVHLVSRPHAIJDX-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495837 555409736 /nfs/dbraw/zinc/40/97/36/555409736.db2.gz DVHLVSRPHAIJDX-VWLOTQADSA-N 1 1 486.664 5.473 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013498438 555420735 /nfs/dbraw/zinc/42/07/35/555420735.db2.gz BRRZYYVABVPRQX-VWLOTQADSA-N 1 1 462.642 5.334 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498585 555422604 /nfs/dbraw/zinc/42/26/04/555422604.db2.gz XAFVAKAOXJRNRM-HHHXNRCGSA-N 1 1 484.648 5.208 40 0 JKABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013498643 555422867 /nfs/dbraw/zinc/42/28/67/555422867.db2.gz DCEJBWGHKKLLFJ-SANMLTNESA-N 1 1 492.668 5.560 40 0 JKABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCCC3)cc2c1 ZINC000013498644 555422928 /nfs/dbraw/zinc/42/29/28/555422928.db2.gz DCEJBWGHKKLLFJ-AREMUKBSSA-N 1 1 492.668 5.560 40 0 JKABMO COc1ccc2cc(C[N@@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498737 555424215 /nfs/dbraw/zinc/42/42/15/555424215.db2.gz XHLIVIVGLIQAKY-RUZDIDTESA-N 1 1 478.641 5.170 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000013498971 555426957 /nfs/dbraw/zinc/42/69/57/555426957.db2.gz IWENFZMNWVGMLD-NDEPHWFRSA-N 1 1 498.675 5.516 40 0 JKABMO Cc1cc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000013498968 555426974 /nfs/dbraw/zinc/42/69/74/555426974.db2.gz JIGCSUOOOSSTNJ-AREMUKBSSA-N 1 1 488.636 5.305 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499044 555427473 /nfs/dbraw/zinc/42/74/73/555427473.db2.gz FJZJVIVICYBBPF-AREMUKBSSA-N 1 1 476.669 5.779 40 0 JKABMO Cc1cc(C)c2cc(C[N@H+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013499059 555427746 /nfs/dbraw/zinc/42/77/46/555427746.db2.gz DACGOHNBMDDMDT-MHZLTWQESA-N 1 1 484.648 5.322 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1C ZINC000013499162 555428904 /nfs/dbraw/zinc/42/89/04/555428904.db2.gz QRDKZXBJIQAIRO-AREMUKBSSA-N 1 1 488.636 5.305 40 0 JKABMO Cc1ccc2cc(C[N@H+]([C@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000013499165 555428914 /nfs/dbraw/zinc/42/89/14/555428914.db2.gz CTOCVLZYAAZHJA-NDEPHWFRSA-N 1 1 498.675 5.516 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499241 555429614 /nfs/dbraw/zinc/42/96/14/555429614.db2.gz WNMRAPLZTZTVIN-RUZDIDTESA-N 1 1 462.642 5.478 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499244 555429650 /nfs/dbraw/zinc/42/96/50/555429650.db2.gz BDIROMBDGZLACS-NDEPHWFRSA-N 1 1 498.675 5.778 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499244 555429652 /nfs/dbraw/zinc/42/96/52/555429652.db2.gz BDIROMBDGZLACS-NDEPHWFRSA-N 1 1 498.675 5.778 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499296 555429820 /nfs/dbraw/zinc/42/98/20/555429820.db2.gz OARZZDPAJCJFAD-SANMLTNESA-N 1 1 476.669 6.004 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499272 555429930 /nfs/dbraw/zinc/42/99/30/555429930.db2.gz CWJFAIODYDIQTD-QHCPKHFHSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499440 555431393 /nfs/dbraw/zinc/43/13/93/555431393.db2.gz MHGPNMIRMRHIHQ-DEOSSOPVSA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499479 555431702 /nfs/dbraw/zinc/43/17/02/555431702.db2.gz IYNCSRJYKCUWFS-AREMUKBSSA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499550 555432514 /nfs/dbraw/zinc/43/25/14/555432514.db2.gz WJVPWAHFTZXOKQ-DEOSSOPVSA-N 1 1 464.658 5.563 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499560 555433031 /nfs/dbraw/zinc/43/30/31/555433031.db2.gz RUVAFQZKKTULRR-VWLOTQADSA-N 1 1 478.685 5.953 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499572 555433037 /nfs/dbraw/zinc/43/30/37/555433037.db2.gz RETQJXOEBNHYDP-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013499639 555433790 /nfs/dbraw/zinc/43/37/90/555433790.db2.gz DKIMAOSSPUGSFN-RUZDIDTESA-N 1 1 476.669 5.923 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499666 555434392 /nfs/dbraw/zinc/43/43/92/555434392.db2.gz BKLPVYLTHRYGIU-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499666 555434393 /nfs/dbraw/zinc/43/43/93/555434393.db2.gz BKLPVYLTHRYGIU-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500082 555436357 /nfs/dbraw/zinc/43/63/57/555436357.db2.gz BUBCZMHZCPTFLO-SANMLTNESA-N 1 1 490.696 6.313 40 0 JKABMO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500095 555436373 /nfs/dbraw/zinc/43/63/73/555436373.db2.gz DEYLNVKHYQZBOH-JOCHJYFZSA-N 1 1 450.631 5.254 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500075 555436459 /nfs/dbraw/zinc/43/64/59/555436459.db2.gz QZFZWNILDMXKEF-HHHXNRCGSA-N 1 1 498.675 5.660 40 0 JKABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500149 555436717 /nfs/dbraw/zinc/43/67/17/555436717.db2.gz GAWAHBGTGCVOON-HHHXNRCGSA-N 1 1 484.648 5.352 40 0 JKABMO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500142 555436857 /nfs/dbraw/zinc/43/68/57/555436857.db2.gz UWLSEPBOCNAAPJ-SANMLTNESA-N 1 1 488.611 5.296 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500120 555436901 /nfs/dbraw/zinc/43/69/01/555436901.db2.gz YTTAORWICQOCOS-VWLOTQADSA-N 1 1 476.669 6.004 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500137 555436956 /nfs/dbraw/zinc/43/69/56/555436956.db2.gz HBMYNNQLKCUXJI-RUZDIDTESA-N 1 1 462.642 5.614 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500157 555437247 /nfs/dbraw/zinc/43/72/47/555437247.db2.gz RCXSBCLUPFMTKG-AREMUKBSSA-N 1 1 476.669 6.004 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500179 555437284 /nfs/dbraw/zinc/43/72/84/555437284.db2.gz SHKBEZQDYOOQSS-AREMUKBSSA-N 1 1 492.668 5.705 40 0 JKABMO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500179 555437287 /nfs/dbraw/zinc/43/72/87/555437287.db2.gz SHKBEZQDYOOQSS-AREMUKBSSA-N 1 1 492.668 5.705 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500277 555438485 /nfs/dbraw/zinc/43/84/85/555438485.db2.gz DPUOFJVQXMMIFT-AREMUKBSSA-N 1 1 486.664 5.328 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500277 555438488 /nfs/dbraw/zinc/43/84/88/555438488.db2.gz DPUOFJVQXMMIFT-AREMUKBSSA-N 1 1 486.664 5.328 40 0 JKABMO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500273 555438630 /nfs/dbraw/zinc/43/86/30/555438630.db2.gz VJEVKQIVAXSKOD-RUZDIDTESA-N 1 1 472.637 5.020 40 0 JKABMO Cc1cccc2cc(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500273 555438631 /nfs/dbraw/zinc/43/86/31/555438631.db2.gz VJEVKQIVAXSKOD-RUZDIDTESA-N 1 1 472.637 5.020 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500507 555440930 /nfs/dbraw/zinc/44/09/30/555440930.db2.gz YSKIVUMMXRGSCW-SANMLTNESA-N 1 1 486.664 5.410 40 0 JKABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500507 555440932 /nfs/dbraw/zinc/44/09/32/555440932.db2.gz YSKIVUMMXRGSCW-SANMLTNESA-N 1 1 486.664 5.410 40 0 JKABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500590 555441748 /nfs/dbraw/zinc/44/17/48/555441748.db2.gz FEYGIOYZAGUQAK-HHHXNRCGSA-N 1 1 484.648 5.322 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C(C)(C)CC)C(C)C)C3CCCCC3)cc2c1 ZINC000013500674 555442636 /nfs/dbraw/zinc/44/26/36/555442636.db2.gz QJYLVGLAHQJXDL-VWLOTQADSA-N 1 1 494.684 5.590 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500755 555443540 /nfs/dbraw/zinc/44/35/40/555443540.db2.gz ARIQMKXNNKXGJX-VWLOTQADSA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500755 555443543 /nfs/dbraw/zinc/44/35/43/555443543.db2.gz ARIQMKXNNKXGJX-VWLOTQADSA-N 1 1 472.637 5.164 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500997 555446283 /nfs/dbraw/zinc/44/62/83/555446283.db2.gz JKKFWECEZBBCOK-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500997 555446285 /nfs/dbraw/zinc/44/62/85/555446285.db2.gz JKKFWECEZBBCOK-MHZLTWQESA-N 1 1 498.675 5.833 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501072 555447298 /nfs/dbraw/zinc/44/72/98/555447298.db2.gz NWZKBQAHMDTLNN-RUZDIDTESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501072 555447299 /nfs/dbraw/zinc/44/72/99/555447299.db2.gz NWZKBQAHMDTLNN-RUZDIDTESA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501073 555447351 /nfs/dbraw/zinc/44/73/51/555447351.db2.gz NWZKBQAHMDTLNN-VWLOTQADSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501073 555447353 /nfs/dbraw/zinc/44/73/53/555447353.db2.gz NWZKBQAHMDTLNN-VWLOTQADSA-N 1 1 488.611 5.215 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501119 555447687 /nfs/dbraw/zinc/44/76/87/555447687.db2.gz WGRPMLMOFAWSFB-QFIPXVFZSA-N 1 1 450.631 5.254 40 0 JKABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501125 555447704 /nfs/dbraw/zinc/44/77/04/555447704.db2.gz XXLPMIJNBQNXGF-VWLOTQADSA-N 1 1 470.621 5.157 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501132 555447772 /nfs/dbraw/zinc/44/77/72/555447772.db2.gz HVAKWGMSCMYBTQ-AREMUKBSSA-N 1 1 484.648 5.352 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501160 555448047 /nfs/dbraw/zinc/44/80/47/555448047.db2.gz YTUTZFRBUPXIBK-RUZDIDTESA-N 1 1 462.642 5.614 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501156 555448148 /nfs/dbraw/zinc/44/81/48/555448148.db2.gz LIXCSNAIIMCRGG-HSZRJFAPSA-N 1 1 450.631 5.254 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000013501191 555448207 /nfs/dbraw/zinc/44/82/07/555448207.db2.gz SQADVJQOUQXJDT-RUZDIDTESA-N 1 1 478.641 5.314 40 0 JKABMO C[N@@H+](CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CCCCC1 ZINC000013565005 555500721 /nfs/dbraw/zinc/50/07/21/555500721.db2.gz DDOANIAWXHRWGY-UHFFFAOYSA-N 1 1 492.620 5.355 40 0 JKABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013564984 555500738 /nfs/dbraw/zinc/50/07/38/555500738.db2.gz ZQDFJTSWWNTFQZ-UHFFFAOYSA-N 1 1 488.657 5.444 40 0 JKABMO Cc1sc(NC(=O)C[N@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565774 555502865 /nfs/dbraw/zinc/50/28/65/555502865.db2.gz GDYSQNLNLFKSEM-UHFFFAOYSA-N 1 1 482.694 5.647 40 0 JKABMO S=C(c1cccc(OCc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842700 555509562 /nfs/dbraw/zinc/50/95/62/555509562.db2.gz NBUGJFOGBDTUQL-UHFFFAOYSA-N 1 1 478.661 6.348 40 0 JKABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010367054 555698238 /nfs/dbraw/zinc/69/82/38/555698238.db2.gz NTHGOFAFZCLOPY-UHFFFAOYSA-N 1 1 493.629 5.043 40 0 JKABMO Cc1ccc(SCc2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000014153438 555709324 /nfs/dbraw/zinc/70/93/24/555709324.db2.gz ODDFKSSJTMPNBW-UHFFFAOYSA-N 1 1 492.688 6.835 40 0 JKABMO O=C(c1ccc(CSc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238851 555732811 /nfs/dbraw/zinc/73/28/11/555732811.db2.gz MUHGABFKCJJTPG-UHFFFAOYSA-N 1 1 478.661 6.526 40 0 JKABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1 ZINC000020241865 555737671 /nfs/dbraw/zinc/73/76/71/555737671.db2.gz HEMOTQHBHNYJBJ-UHFFFAOYSA-N 1 1 451.570 5.423 40 0 JKABMO CCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014273619 555774034 /nfs/dbraw/zinc/77/40/34/555774034.db2.gz NRQSSCSOVVWRBH-UHFFFAOYSA-N 1 1 464.009 5.703 40 0 JKABMO COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000014273663 555774319 /nfs/dbraw/zinc/77/43/19/555774319.db2.gz IDGNMEJCYVRHQB-ZZXKWVIFSA-N 1 1 454.785 5.059 40 0 JKABMO C[C@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014608361 555836785 /nfs/dbraw/zinc/83/67/85/555836785.db2.gz NYUOUROUHJNQTQ-GOSISDBHSA-N 1 1 451.492 5.664 40 0 JKABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCc1ccccc1Cl ZINC000022075501 555871137 /nfs/dbraw/zinc/87/11/37/555871137.db2.gz GGORBCTZMVQFQA-UHFFFAOYSA-N 1 1 469.851 5.512 40 0 JKABMO Cc1cc2c(cc1Br)C(=O)[C@](C[N@@H+]1CCC[C@@H](C)C1)(Sc1ccccc1)CO2 ZINC000015229082 555888336 /nfs/dbraw/zinc/88/83/36/555888336.db2.gz BJMSWBIHQDIOAG-WAIKUNEKSA-N 1 1 460.437 5.596 40 0 JKABMO O=C(c1cccc(OCc2ccccc2Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022258490 555906010 /nfs/dbraw/zinc/90/60/10/555906010.db2.gz RKQPOERDOVPJBH-UHFFFAOYSA-N 1 1 497.038 6.466 40 0 JKABMO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000015441100 555909081 /nfs/dbraw/zinc/90/90/81/555909081.db2.gz DSAYOBQULYPJFC-RUZDIDTESA-N 1 1 494.632 6.121 40 0 JKABMO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000022750220 555952367 /nfs/dbraw/zinc/95/23/67/555952367.db2.gz RAMQPCSBCZFYRU-JOCHJYFZSA-N 1 1 492.063 6.193 40 0 JKABMO Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000022751464 555952648 /nfs/dbraw/zinc/95/26/48/555952648.db2.gz OAWUWAAXYNKHEK-UHFFFAOYSA-N 1 1 493.076 5.406 40 0 JKABMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000012494918 555990156 /nfs/dbraw/zinc/99/01/56/555990156.db2.gz JTNNRDXPPTXNJB-MQVJKMGUSA-N 1 1 457.949 6.128 40 0 JKABMO CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@@H]1CCC[N@@H+]1CC ZINC000012635452 556094372 /nfs/dbraw/zinc/09/43/72/556094372.db2.gz HLKBPVHAUAPMQP-QHCPKHFHSA-N 1 1 462.663 5.082 40 0 JKABMO CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCC[N@H+]3CC)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000012708921 556104115 /nfs/dbraw/zinc/10/41/15/556104115.db2.gz BMJVYXRJURWRDL-JOCHJYFZSA-N 1 1 483.012 5.099 40 0 JKABMO Cc1ccc(S[C@]2(C[N@@H+]3CCC[C@H](C)C3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310872 556134357 /nfs/dbraw/zinc/13/43/57/556134357.db2.gz OKVDLFGJKAENGO-BXKMTCNYSA-N 1 1 474.464 5.904 40 0 JKABMO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016740456 556156535 /nfs/dbraw/zinc/15/65/35/556156535.db2.gz MLDYSQNZEDLMBQ-UHFFFAOYSA-N 1 1 484.603 5.844 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000013063664 556260688 /nfs/dbraw/zinc/26/06/88/556260688.db2.gz ACSHGXNXWCWNLU-RUZDIDTESA-N 1 1 462.642 5.478 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3C3CCCCC3)C3CCCC3)cc2c1 ZINC000013063664 556260690 /nfs/dbraw/zinc/26/06/90/556260690.db2.gz ACSHGXNXWCWNLU-RUZDIDTESA-N 1 1 462.642 5.478 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000013063693 556260728 /nfs/dbraw/zinc/26/07/28/556260728.db2.gz DMNMZNGVMOIVSS-AREMUKBSSA-N 1 1 470.621 5.021 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000013063693 556260732 /nfs/dbraw/zinc/26/07/32/556260732.db2.gz DMNMZNGVMOIVSS-AREMUKBSSA-N 1 1 470.621 5.021 40 0 JKABMO CCc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000013063691 556260782 /nfs/dbraw/zinc/26/07/82/556260782.db2.gz VUZPUDQKEKRHDK-HHHXNRCGSA-N 1 1 484.648 5.411 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064578 556262234 /nfs/dbraw/zinc/26/22/34/556262234.db2.gz HDEMIZDQEKEBLD-DEOSSOPVSA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064553 556262432 /nfs/dbraw/zinc/26/24/32/556262432.db2.gz RIMQFUVWNWWTGJ-HSZRJFAPSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064579 556262445 /nfs/dbraw/zinc/26/24/45/556262445.db2.gz URIQKFZOOIBPBS-HSZRJFAPSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064579 556262448 /nfs/dbraw/zinc/26/24/48/556262448.db2.gz URIQKFZOOIBPBS-HSZRJFAPSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064594 556262484 /nfs/dbraw/zinc/26/24/84/556262484.db2.gz DONVLAFTYGMZPC-VWLOTQADSA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064822 556262849 /nfs/dbraw/zinc/26/28/49/556262849.db2.gz RUMMCLAKNTYTIL-RUZDIDTESA-N 1 1 462.642 5.533 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064829 556262909 /nfs/dbraw/zinc/26/29/09/556262909.db2.gz QTFCIJJYRYMHEW-MHZLTWQESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064829 556262910 /nfs/dbraw/zinc/26/29/10/556262910.db2.gz QTFCIJJYRYMHEW-MHZLTWQESA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064987 556263180 /nfs/dbraw/zinc/26/31/80/556263180.db2.gz RTMOLUMCFYAZJC-MHZLTWQESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064987 556263183 /nfs/dbraw/zinc/26/31/83/556263183.db2.gz RTMOLUMCFYAZJC-MHZLTWQESA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065050 556263196 /nfs/dbraw/zinc/26/31/96/556263196.db2.gz YODHOQPRVWSUNX-RUZDIDTESA-N 1 1 476.669 5.923 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065025 556263284 /nfs/dbraw/zinc/26/32/84/556263284.db2.gz WUEJJMHSDSEREO-QHCPKHFHSA-N 1 1 464.658 5.563 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065027 556263349 /nfs/dbraw/zinc/26/33/49/556263349.db2.gz JWEANCRQDKOUDK-QFIPXVFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065027 556263352 /nfs/dbraw/zinc/26/33/52/556263352.db2.gz JWEANCRQDKOUDK-QFIPXVFZSA-N 1 1 450.631 5.172 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064986 556263396 /nfs/dbraw/zinc/26/33/96/556263396.db2.gz RTMOLUMCFYAZJC-HHHXNRCGSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064986 556263398 /nfs/dbraw/zinc/26/33/98/556263398.db2.gz RTMOLUMCFYAZJC-HHHXNRCGSA-N 1 1 484.648 5.270 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065194 556263660 /nfs/dbraw/zinc/26/36/60/556263660.db2.gz OTGLNTQNRNZNFG-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065194 556263662 /nfs/dbraw/zinc/26/36/62/556263662.db2.gz OTGLNTQNRNZNFG-AREMUKBSSA-N 1 1 484.648 5.443 40 0 JKABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065148 556263669 /nfs/dbraw/zinc/26/36/69/556263669.db2.gz ZBSGJXBWUDWMBS-HHHXNRCGSA-N 1 1 498.675 5.660 40 0 JKABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065149 556263695 /nfs/dbraw/zinc/26/36/95/556263695.db2.gz ZBSGJXBWUDWMBS-MHZLTWQESA-N 1 1 498.675 5.660 40 0 JKABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000028220656 556325584 /nfs/dbraw/zinc/32/55/84/556325584.db2.gz MDJLKVNWJIANTI-HHHXNRCGSA-N 1 1 488.075 5.486 40 0 JKABMO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2)cc1C ZINC000030758417 556374186 /nfs/dbraw/zinc/37/41/86/556374186.db2.gz PYNAKHMSGKNSBJ-FQEVSTJZSA-N 1 1 491.657 5.588 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030937892 556388345 /nfs/dbraw/zinc/38/83/45/556388345.db2.gz YDTCUPSZFFMRLF-LJQANCHMSA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030937892 556388347 /nfs/dbraw/zinc/38/83/47/556388347.db2.gz YDTCUPSZFFMRLF-LJQANCHMSA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030937907 556388364 /nfs/dbraw/zinc/38/83/64/556388364.db2.gz DLJXPPOQFRUZSS-SFHVURJKSA-N 1 1 471.453 6.995 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030937907 556388366 /nfs/dbraw/zinc/38/83/66/556388366.db2.gz DLJXPPOQFRUZSS-SFHVURJKSA-N 1 1 471.453 6.995 40 0 JKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1)C[N@H+](Cc1ccccc1)CC3 ZINC000019819723 556388402 /nfs/dbraw/zinc/38/84/02/556388402.db2.gz YOWMZIIUDIXUNJ-UHFFFAOYSA-N 1 1 474.438 5.975 40 0 JKABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019819723 556388407 /nfs/dbraw/zinc/38/84/07/556388407.db2.gz YOWMZIIUDIXUNJ-UHFFFAOYSA-N 1 1 474.438 5.975 40 0 JKABMO Cc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000019819721 556388444 /nfs/dbraw/zinc/38/84/44/556388444.db2.gz QOGCUJDLQODEJZ-UHFFFAOYSA-N 1 1 454.020 5.630 40 0 JKABMO Cc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000019819721 556388450 /nfs/dbraw/zinc/38/84/50/556388450.db2.gz QOGCUJDLQODEJZ-UHFFFAOYSA-N 1 1 454.020 5.630 40 0 JKABMO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000225425234 560043074 /nfs/dbraw/zinc/04/30/74/560043074.db2.gz RHDFTOXRIDOXDV-UHFFFAOYSA-N 1 1 487.591 5.204 40 0 biogenic,in-vitro JKABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccc(NC(C)=O)cc4)C=C3C)[nH]c2c1 ZINC000077262153 560046724 /nfs/dbraw/zinc/04/67/24/560046724.db2.gz XKWKWUHCEVMLHO-FXSPECFOSA-N 1 1 474.649 5.717 40 0 biogenic,in-vitro JKABMO CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4[N@@H+](C)[C@@H](Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615755 569592271 /nfs/dbraw/zinc/59/22/71/569592271.db2.gz FBNPCQXAZFRQOI-SEYRHSLDSA-N 1 1 477.821 9.013 40 0 JKABMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000057315957 569597393 /nfs/dbraw/zinc/59/73/93/569597393.db2.gz RPQQPGFHRKVVJE-UHFFFAOYSA-N 1 1 458.046 5.576 40 0 JKABMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000057335672 569599056 /nfs/dbraw/zinc/59/90/56/569599056.db2.gz AGKDSASRWZDQCB-UHFFFAOYSA-N 1 1 498.454 6.112 40 0 JKABMO COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059557273 569606705 /nfs/dbraw/zinc/60/67/05/569606705.db2.gz ZVJDZXKMQWGJDM-UHFFFAOYSA-N 1 1 470.400 5.577 40 0 JKABMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(Cl)c1 ZINC000059557274 569606729 /nfs/dbraw/zinc/60/67/29/569606729.db2.gz YIKPRACKBLZSSW-UHFFFAOYSA-N 1 1 454.401 5.876 40 0 JKABMO Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1C ZINC000059557281 569606789 /nfs/dbraw/zinc/60/67/89/569606789.db2.gz BCJHUMAWHROZTG-UHFFFAOYSA-N 1 1 464.009 5.297 40 0 JKABMO CCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059557292 569606816 /nfs/dbraw/zinc/60/68/16/569606816.db2.gz RGRQYXWBUNEMPT-UHFFFAOYSA-N 1 1 464.009 5.703 40 0 JKABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000033386049 569625529 /nfs/dbraw/zinc/62/55/29/569625529.db2.gz NHCYLNAMNIEENO-UHFFFAOYSA-N 1 1 485.024 5.560 40 0 JKABMO Fc1ccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2Br)cc1 ZINC000033689721 569630827 /nfs/dbraw/zinc/63/08/27/569630827.db2.gz PIBCSSTVOBNWLQ-UHFFFAOYSA-N 1 1 499.449 5.661 40 0 JKABMO Cc1ccc(COc2ccc(Br)cc2C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033711347 569631320 /nfs/dbraw/zinc/63/13/20/569631320.db2.gz CALAGACGFUMTQK-UHFFFAOYSA-N 1 1 495.486 5.830 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000035132589 569675527 /nfs/dbraw/zinc/67/55/27/569675527.db2.gz SDJWBGVQURQYQD-UHFFFAOYSA-N 1 1 481.061 5.811 40 0 JKABMO CC[C@@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000065734599 569676495 /nfs/dbraw/zinc/67/64/95/569676495.db2.gz FTABTAJMFUXTFE-MUUNZHRXSA-N 1 1 463.574 5.307 40 0 in-vitro JKABMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000035316488 569680555 /nfs/dbraw/zinc/68/05/55/569680555.db2.gz XNSULRDAZVJFJG-BJRCIYAESA-N 1 1 496.482 6.991 40 0 JKABMO S=C(c1ccccc1OCc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035329836 569680895 /nfs/dbraw/zinc/68/08/95/569680895.db2.gz YKODHKYQPDGYSV-UHFFFAOYSA-N 1 1 481.459 5.521 40 0 JKABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F ZINC000035331058 569680941 /nfs/dbraw/zinc/68/09/41/569680941.db2.gz RHCZSBKHLMNUBN-UHFFFAOYSA-N 1 1 499.051 5.950 40 0 JKABMO CSc1ccc2cc(CNc3ccc4c(c3)N(C(=O)C[NH+](C)C)c3ccccc3CC4)c(=O)[nH]c2c1 ZINC000072336288 569703280 /nfs/dbraw/zinc/70/32/80/569703280.db2.gz LSCAVIGUTBKMTL-UHFFFAOYSA-N 1 1 498.652 5.187 40 0 JKABMO Cc1ccc(NC(=O)OCC[NH+](CCOC(=O)Nc2ccc(C)cc2)Cc2ccccc2)cc1 ZINC000090636032 569721082 /nfs/dbraw/zinc/72/10/82/569721082.db2.gz RELFEZQGHKPMBY-UHFFFAOYSA-N 1 1 461.562 5.603 40 0 JKABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000096214556 569738408 /nfs/dbraw/zinc/73/84/08/569738408.db2.gz ZGFOREFLMWPLRC-HSZRJFAPSA-N 1 1 450.932 5.559 40 0 JKABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833086 569808753 /nfs/dbraw/zinc/80/87/53/569808753.db2.gz QPGJOYLWAAGLFD-XMMPIXPASA-N 1 1 467.440 6.434 40 0 JKABMO O=C(NCCSCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039768841 569811848 /nfs/dbraw/zinc/81/18/48/569811848.db2.gz HOPFWQIKTGDZEQ-UHFFFAOYSA-N 1 1 489.871 6.048 40 0 JKABMO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000041019128 569834831 /nfs/dbraw/zinc/83/48/31/569834831.db2.gz ZVTQANVKJWDMIE-UHFFFAOYSA-N 1 1 486.015 5.861 40 0 JKABMO Cc1coc2cc3oc(=O)c(CC(=O)N4CCCC5=C[C@H]6C[C@H](C[N@H+]7CCCC[C@H]67)[C@@H]54)c(C)c3cc12 ZINC000208217262 569875017 /nfs/dbraw/zinc/87/50/17/569875017.db2.gz JRHBIKSORIXVFK-IHOVNLRLSA-N 1 1 486.612 5.120 40 0 JKABMO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000222953251 569895324 /nfs/dbraw/zinc/89/53/24/569895324.db2.gz XTRBFEYWWZYUAP-UHFFFAOYSA-N 1 1 459.468 5.444 40 0 JKABMO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000223488738 569913184 /nfs/dbraw/zinc/91/31/84/569913184.db2.gz XCXCWYCXBYRCSD-OAHLLOKOSA-N 1 1 451.394 5.100 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223953013 569928227 /nfs/dbraw/zinc/92/82/27/569928227.db2.gz LEQWBKFDOPIGJV-GOSISDBHSA-N 1 1 459.040 5.335 40 0 JKABMO O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223953013 569928228 /nfs/dbraw/zinc/92/82/28/569928228.db2.gz LEQWBKFDOPIGJV-GOSISDBHSA-N 1 1 459.040 5.335 40 0 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C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2)C1 ZINC000225577713 570006971 /nfs/dbraw/zinc/00/69/71/570006971.db2.gz YGZYJFSMWQWBRV-OAQYLSRUSA-N 1 1 471.041 5.528 40 0 JKABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000225577840 570007007 /nfs/dbraw/zinc/00/70/07/570007007.db2.gz ZFCVJANVTVBFJJ-NRFANRHFSA-N 1 1 471.041 5.670 40 0 JKABMO O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578980 570007082 /nfs/dbraw/zinc/00/70/82/570007082.db2.gz RVSBYWIITMCBCK-UHFFFAOYSA-N 1 1 481.055 6.798 40 0 JKABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225578674 570007167 /nfs/dbraw/zinc/00/71/67/570007167.db2.gz CKXVEQFBLYTBAX-UHFFFAOYSA-N 1 1 481.836 6.016 40 0 JKABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000225580388 570007197 /nfs/dbraw/zinc/00/71/97/570007197.db2.gz SITDYVPBGIQWAX-OAQYLSRUSA-N 1 1 471.041 5.670 40 0 JKABMO O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 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/nfs/dbraw/zinc/11/04/03/570110403.db2.gz BMATZPYUACTDEQ-NEKDWFFYSA-N 1 1 462.540 5.279 40 0 JKABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@@H+](CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1 ZINC000257211528 570111555 /nfs/dbraw/zinc/11/15/55/570111555.db2.gz BZFNBKYDEBWGFI-MPFGFTFXSA-N 1 1 457.593 5.033 40 0 JKABMO COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4C)c3)C2)n1 ZINC000257214894 570112653 /nfs/dbraw/zinc/11/26/53/570112653.db2.gz CNXBGTMZLPATEA-DEOSSOPVSA-N 1 1 466.585 5.330 40 0 JKABMO COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4C)c3)C2)n1 ZINC000257214895 570112665 /nfs/dbraw/zinc/11/26/65/570112665.db2.gz CNXBGTMZLPATEA-XMMPIXPASA-N 1 1 466.585 5.330 40 0 JKABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@H]1Oc1ccccc1 ZINC000257215913 570112861 /nfs/dbraw/zinc/11/28/61/570112861.db2.gz CSEJDPYECOMVCJ-XCZPVHLTSA-N 1 1 493.673 5.522 40 0 JKABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@@H]1Oc1ccccc1 ZINC000257215913 570112862 /nfs/dbraw/zinc/11/28/62/570112862.db2.gz CSEJDPYECOMVCJ-XCZPVHLTSA-N 1 1 493.673 5.522 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257218311 570113626 /nfs/dbraw/zinc/11/36/26/570113626.db2.gz DCPROADPEKCKNK-JWQCQUIFSA-N 1 1 485.411 5.378 40 0 JKABMO CCc1ccc([C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)[C@@H]3CCN(C(=O)COC)C[C@@H]32)cc1 ZINC000257221096 570114489 /nfs/dbraw/zinc/11/44/89/570114489.db2.gz DNLURXDBAYHKND-IDZRBWSNSA-N 1 1 468.641 5.379 40 0 JKABMO COc1ccccc1-c1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000257221612 570114619 /nfs/dbraw/zinc/11/46/19/570114619.db2.gz DPVPGSORUWPAPI-LITSAYRRSA-N 1 1 458.577 5.530 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)c1 ZINC000257227565 570116269 /nfs/dbraw/zinc/11/62/69/570116269.db2.gz FPYBJISBAWGINL-QHCPKHFHSA-N 1 1 454.549 5.461 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3C)C2)c1 ZINC000257227578 570116276 /nfs/dbraw/zinc/11/62/76/570116276.db2.gz FPZDSWXJGFDNOI-XMMPIXPASA-N 1 1 467.573 5.150 40 0 JKABMO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257232069 570117698 /nfs/dbraw/zinc/11/76/98/570117698.db2.gz GJHSVYOCFUABBM-HHHXNRCGSA-N 1 1 489.031 5.006 40 0 JKABMO C[N@@H+](CCC(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2)Cc1cccnc1 ZINC000257234167 570118324 /nfs/dbraw/zinc/11/83/24/570118324.db2.gz GSLFLANJWHGINK-JYFHCDHNSA-N 1 1 498.067 5.115 40 0 JKABMO CC(=O)n1cc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c2ccccc21 ZINC000257234649 570118466 /nfs/dbraw/zinc/11/84/66/570118466.db2.gz GUNINICQUYGEAX-IBGZPJMESA-N 1 1 459.615 5.644 40 0 JKABMO COc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](c2ccccc2OC)[C@]2(C1)CCCCC(=O)N2 ZINC000257236201 570119025 /nfs/dbraw/zinc/11/90/25/570119025.db2.gz HBENDHUTQASJCH-FREGXXQWSA-N 1 1 470.613 5.399 40 0 JKABMO COc1cccc(-c2ccc(C[N@H+]3C[C@@H](c4ccc(F)c(F)c4)[C@]4(C3)CCCC(=O)N4)cc2)c1 ZINC000257239858 570120210 /nfs/dbraw/zinc/12/02/10/570120210.db2.gz HRCDCESDVHKJSE-RBJSKKJNSA-N 1 1 462.540 5.279 40 0 JKABMO CC(C)Oc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@H]3CCN(C(=O)c4cccs4)C[C@@H]23)cc1 ZINC000257243256 570121074 /nfs/dbraw/zinc/12/10/74/570121074.db2.gz IGCBOSMAWQWBIR-GSDHBNRESA-N 1 1 460.643 5.666 40 0 JKABMO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cn(C)cn3)C2)ccc1Cl ZINC000257243922 570121165 /nfs/dbraw/zinc/12/11/65/570121165.db2.gz IJDIYHIIXWBKFX-MUUNZHRXSA-N 1 1 495.067 5.092 40 0 JKABMO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3cn(C)cn3)C2)ccc1Cl ZINC000257243922 570121166 /nfs/dbraw/zinc/12/11/66/570121166.db2.gz IJDIYHIIXWBKFX-MUUNZHRXSA-N 1 1 495.067 5.092 40 0 JKABMO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](CC3CC3)C2)ccc1Cl ZINC000257246161 570121854 /nfs/dbraw/zinc/12/18/54/570121854.db2.gz ISVGTJKYQHILSN-HHHXNRCGSA-N 1 1 455.042 5.568 40 0 JKABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2Cc2ccccc2OCc2ccccn2)n1 ZINC000257247471 570122273 /nfs/dbraw/zinc/12/22/73/570122273.db2.gz IZEAIEDKKUHDCF-RUZDIDTESA-N 1 1 469.564 5.566 40 0 JKABMO CCCc1ccc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)o1 ZINC000257253937 570124357 /nfs/dbraw/zinc/12/43/57/570124357.db2.gz KAYHDDKBBSEPJM-HHHXNRCGSA-N 1 1 489.056 5.104 40 0 JKABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc(OCCn3ccc(C)n3)cc2)CC1 ZINC000257256427 570125096 /nfs/dbraw/zinc/12/50/96/570125096.db2.gz KLLFUYNPFSMRTD-MUUNZHRXSA-N 1 1 463.622 5.029 40 0 JKABMO C[N@@H+](CCC(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2)Cc1ccccn1 ZINC000257259875 570126254 /nfs/dbraw/zinc/12/62/54/570126254.db2.gz LAKDBRUZKSBTEH-JYFHCDHNSA-N 1 1 498.067 5.115 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC(c2cccc(Oc3cccc(F)c3)n2)CC1 ZINC000257267100 570128739 /nfs/dbraw/zinc/12/87/39/570128739.db2.gz MFYZSEPPOBFRGO-UHFFFAOYSA-N 1 1 470.548 5.586 40 0 JKABMO C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)c1cccs1)Cc1ccccc1O2 ZINC000257270427 570129723 /nfs/dbraw/zinc/12/97/23/570129723.db2.gz MUECZWIVYPLUIL-UHFFFAOYSA-N 1 1 480.718 6.757 40 0 JKABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C(C)C)c3ccccc23)C1 ZINC000257277680 570131866 /nfs/dbraw/zinc/13/18/66/570131866.db2.gz NYYOJJZPZCJCIX-HXUWFJFHSA-N 1 1 459.659 6.565 40 0 JKABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000257278012 570132036 /nfs/dbraw/zinc/13/20/36/570132036.db2.gz OAJVFFXKXZQXSB-QFIPXVFZSA-N 1 1 481.044 5.327 40 0 JKABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2cccc(Oc3cccc(F)c3)n2)C1 ZINC000257288530 570135166 /nfs/dbraw/zinc/13/51/66/570135166.db2.gz PUOHCGGGQLBZPC-JOCHJYFZSA-N 1 1 470.548 5.586 40 0 JKABMO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C[N@@H+]3CCc4ccccc4C3)cc1OC2(C)C ZINC000257289535 570135390 /nfs/dbraw/zinc/13/53/90/570135390.db2.gz PZARHYSUTMPWBT-PKSNBKSCSA-N 1 1 483.652 6.851 40 0 JKABMO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C[N@H+]3CCc4ccccc4C3)cc1OC2(C)C ZINC000257289535 570135392 /nfs/dbraw/zinc/13/53/92/570135392.db2.gz PZARHYSUTMPWBT-PKSNBKSCSA-N 1 1 483.652 6.851 40 0 JKABMO O=C1O[C@]2(CN1c1ccc(F)cc1)CCC[N@@H+](Cc1cccc(OCc3ccccn3)c1)CC2 ZINC000257300134 570138429 /nfs/dbraw/zinc/13/84/29/570138429.db2.gz RTAQOIXQZIBXKN-HHHXNRCGSA-N 1 1 461.537 5.181 40 0 JKABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2Cc2ccccc2OCc2cccnc2)cc1 ZINC000257300143 570138495 /nfs/dbraw/zinc/13/84/95/570138495.db2.gz RTCDIOBFGAOLHB-RWPDHJIBSA-N 1 1 471.601 5.044 40 0 JKABMO CCOC(=O)c1c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)sc2c1CCCC2 ZINC000409132751 570140885 /nfs/dbraw/zinc/14/08/85/570140885.db2.gz LQEVBUDTNGNBHX-UHFFFAOYSA-N 1 1 474.626 5.614 40 0 JKABMO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3cnn(C)c3)C2)ccc1Cl ZINC000257312084 570142151 /nfs/dbraw/zinc/14/21/51/570142151.db2.gz UMLIMNAREYQBQH-NDEPHWFRSA-N 1 1 495.067 5.092 40 0 JKABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(C)c4)n3)C2)c1 ZINC000257314581 570142802 /nfs/dbraw/zinc/14/28/02/570142802.db2.gz UXPHGMFFECRMJS-DEOSSOPVSA-N 1 1 467.573 5.150 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc3[nH]ccc32)Cc2ccccc2Cl)C1 ZINC000257321288 570144774 /nfs/dbraw/zinc/14/47/74/570144774.db2.gz WAZHGBDUNVCYET-KAYWLYCHSA-N 1 1 490.003 5.205 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc3[nH]ccc32)Cc2ccccc2Cl)C1 ZINC000257321288 570144775 /nfs/dbraw/zinc/14/47/75/570144775.db2.gz WAZHGBDUNVCYET-KAYWLYCHSA-N 1 1 490.003 5.205 40 0 JKABMO C[N@@H+](CC1CCCCC1)C1CCC2(CC1)CN(C(=O)c1cccs1)Cc1ccccc1O2 ZINC000257324284 570145662 /nfs/dbraw/zinc/14/56/62/570145662.db2.gz WNZCCVOVAUCFEL-UHFFFAOYSA-N 1 1 452.664 5.976 40 0 JKABMO CC(C)c1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H](NCc3ccccc3)[C@H]2O)cc1 ZINC000257327140 570146646 /nfs/dbraw/zinc/14/66/46/570146646.db2.gz XADFZVGVVOGASX-JFHPUIQFSA-N 1 1 456.674 6.274 40 0 JKABMO CC(C)c1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H](NCc3ccccc3)[C@H]2O)cc1 ZINC000257327140 570146648 /nfs/dbraw/zinc/14/66/48/570146648.db2.gz XADFZVGVVOGASX-JFHPUIQFSA-N 1 1 456.674 6.274 40 0 JKABMO CC(C)c1ccc(CN(Cc2ccccc2)[C@@H]2CCCC[C@@H]([NH2+]Cc3ccccc3)[C@H]2O)cc1 ZINC000257327140 570146649 /nfs/dbraw/zinc/14/66/49/570146649.db2.gz XADFZVGVVOGASX-JFHPUIQFSA-N 1 1 456.674 6.274 40 0 JKABMO COc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](c3ccccc3OC)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000257328528 570147111 /nfs/dbraw/zinc/14/71/11/570147111.db2.gz XGAXTQJQDDGXHG-FREGXXQWSA-N 1 1 470.613 5.399 40 0 JKABMO COc1ccccc1-c1cccc(CC2(C(=O)NCC[N@@H+](C)C3CCCCC3)CCOCC2)c1 ZINC000257329361 570147349 /nfs/dbraw/zinc/14/73/49/570147349.db2.gz XJQDTETWOPQWMN-UHFFFAOYSA-N 1 1 464.650 5.082 40 0 JKABMO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCC[N@@H+](C)C3CCCCC3)CCOCC2)c1 ZINC000257333781 570148694 /nfs/dbraw/zinc/14/86/94/570148694.db2.gz YDADBXSWLSKNDA-UHFFFAOYSA-N 1 1 482.640 5.221 40 0 JKABMO O[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2OCc2ccccc2)CC[C@@H]1n1ccnc1 ZINC000257334117 570148885 /nfs/dbraw/zinc/14/88/85/570148885.db2.gz YEQIBRVZDJZJNI-VMPREFPWSA-N 1 1 483.612 5.239 40 0 JKABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc(OCC3(O)CCCCC3)cc2)CC1 ZINC000257337419 570149704 /nfs/dbraw/zinc/14/97/04/570149704.db2.gz YSRROCPZDFTDSF-LJAQVGFWSA-N 1 1 467.650 5.519 40 0 JKABMO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C[N@@H+](C)CCc3ccccc3)cc1OC2(C)C ZINC000257338122 570149903 /nfs/dbraw/zinc/14/99/03/570149903.db2.gz YVYWWBFVDMPKJO-LAJKQIPCSA-N 1 1 485.668 6.967 40 0 JKABMO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc3[nH]ccc3c2)Cc2cccc(Cl)c2)C1 ZINC000257341391 570150678 /nfs/dbraw/zinc/15/06/78/570150678.db2.gz ZKDKNBHSASSXIT-KAYWLYCHSA-N 1 1 490.003 5.205 40 0 JKABMO COc1ccc(C2(C(=O)Nc3ccc(OCC[N@H+]4CCCC[C@H]4C)cc3)CCCCC2)cc1 ZINC000260818225 570159175 /nfs/dbraw/zinc/15/91/75/570159175.db2.gz YDBHXUUODHIBLN-JOCHJYFZSA-N 1 1 450.623 5.789 40 0 JKABMO CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816879 570159188 /nfs/dbraw/zinc/15/91/88/570159188.db2.gz RNOBHPGEUOBCDL-XMMPIXPASA-N 1 1 460.703 6.526 40 0 JKABMO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)CN2C(=O)OC(C)(C)C ZINC000306146008 570178853 /nfs/dbraw/zinc/17/88/53/570178853.db2.gz ZCNGXDOZGPHJJR-IBGZPJMESA-N 1 1 499.574 5.357 40 0 JKABMO