smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306623319 1069314644 /nfs/dbraw/zinc/31/46/44/1069314644.db2.gz BUZCGHAVLUPPGF-RPBOFIJWSA-N 1 0 484.689 3.880 20 10 JHCDRO COc1cccc([C@@H](CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)[NH+]2CCCC2)c1 ZINC001311580495 1069448194 /nfs/dbraw/zinc/44/81/94/1069448194.db2.gz LYFMTUHIDBIIIY-HSZRJFAPSA-N 1 0 456.562 3.512 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3cc(-c4ccccc4)n[nH]3)cc2F)CC1 ZINC001311891916 1069600335 /nfs/dbraw/zinc/60/03/35/1069600335.db2.gz AGBOJGLWJCOSGS-UHFFFAOYSA-N 1 0 450.562 3.699 20 10 JHCDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001312308947 1069853225 /nfs/dbraw/zinc/85/32/25/1069853225.db2.gz AZXLWIFJVLKMBY-UHFFFAOYSA-N 1 0 451.571 3.511 20 10 JHCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001312886476 1070168123 /nfs/dbraw/zinc/16/81/23/1070168123.db2.gz SZDMOVYYFFLNSH-RMTZWNOUSA-N 1 0 467.610 3.620 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCc4ccc(F)cc4[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC001307889227 1070226647 /nfs/dbraw/zinc/22/66/47/1070226647.db2.gz KADTWKWARVIYKZ-GUDVDZBRSA-N 1 0 457.565 3.856 20 10 JHCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(C)nc2Br)NC(=O)OC(C)(C)C)cc1 ZINC001308352400 1070360800 /nfs/dbraw/zinc/36/08/00/1070360800.db2.gz CTAFFLJNHMPXKO-QGZVFWFLSA-N 1 0 452.397 3.604 20 10 JHCDRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)CC1 ZINC001308613253 1070401538 /nfs/dbraw/zinc/40/15/38/1070401538.db2.gz FDEDVHOHSDQIMJ-NRFANRHFSA-N 1 0 453.583 3.837 20 10 JHCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC(C)(C)C1 ZINC001308944475 1070463857 /nfs/dbraw/zinc/46/38/57/1070463857.db2.gz RXZNRWNONKDNMO-OAQYLSRUSA-N 1 0 458.647 3.904 20 10 JHCDRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314970291 1071456569 /nfs/dbraw/zinc/45/65/69/1071456569.db2.gz WELJXAQGZLGWNV-NDEPHWFRSA-N 1 0 491.684 3.903 20 10 JHCDRO CNC(=O)CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[N@H+](C)C1CCCC1 ZINC001315031507 1071561012 /nfs/dbraw/zinc/56/10/12/1071561012.db2.gz OVDGKYTWPRMXGO-UHFFFAOYSA-N 1 0 477.657 3.799 20 10 JHCDRO CCN1CC[NH+](CCCCn2c(N3CCCN(c4ccc(OC)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313953441 1071648844 /nfs/dbraw/zinc/64/88/44/1071648844.db2.gz FECWKIKCCROKNZ-UHFFFAOYSA-N 1 0 497.732 3.719 20 10 JHCDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001306780782 1069578398 /nfs/dbraw/zinc/57/83/98/1069578398.db2.gz PKWYFFXDCILPOW-IRLDBZIGSA-N 1 0 472.653 3.984 20 10 JHCDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001306787676 1069592444 /nfs/dbraw/zinc/59/24/44/1069592444.db2.gz GRNADRNAURTFNQ-QFIPXVFZSA-N 1 0 465.621 3.685 20 10 JHCDRO C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H](c2ccccc2)C1 ZINC001312137929 1069742914 /nfs/dbraw/zinc/74/29/14/1069742914.db2.gz KYHWFLGKRCRDAU-VIZSFHNOSA-N 1 0 458.553 3.901 20 10 JHCDRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1 ZINC001307567639 1070055874 /nfs/dbraw/zinc/05/58/74/1070055874.db2.gz SVTFUMXWNYDCBA-GGAORHGYSA-N 1 0 454.567 3.754 20 10 JHCDRO COC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC(c2ccccc2)CC1 ZINC001312658605 1070066845 /nfs/dbraw/zinc/06/68/45/1070066845.db2.gz JDMYEQLEXSOIJF-UHFFFAOYSA-N 1 0 450.627 3.981 20 10 JHCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001307670516 1070114314 /nfs/dbraw/zinc/11/43/14/1070114314.db2.gz SKFQCHWHAUWPHK-YIXXDRMTSA-N 1 0 459.634 3.988 20 10 JHCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]Cc3cccc(C4CCCC4)c3)CC2)cc1 ZINC001308458950 1070378431 /nfs/dbraw/zinc/37/84/31/1070378431.db2.gz LHPWDZLTZMTOHX-UHFFFAOYSA-N 1 0 457.640 3.594 20 10 JHCDRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)CC1 ZINC001313696810 1070964507 /nfs/dbraw/zinc/96/45/07/1070964507.db2.gz JNWDEFGUPVTGGJ-UHFFFAOYSA-N 1 0 478.689 3.873 20 10 JHCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC001309933592 1071021038 /nfs/dbraw/zinc/02/10/38/1071021038.db2.gz DBWXNXMYDNARMQ-OAQYLSRUSA-N 1 0 457.562 3.926 20 10 JHCDRO COC(=O)c1cc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(F)cc1F ZINC001310107410 1071122757 /nfs/dbraw/zinc/12/27/57/1071122757.db2.gz MMXNCSGGFQVFJS-UHFFFAOYSA-N 1 0 458.509 3.605 20 10 JHCDRO CC[NH+]1CCC(CCn2c(N(C)Cc3ccccc3O)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001313881335 1071454300 /nfs/dbraw/zinc/45/43/00/1071454300.db2.gz IYALOBBQHHKSOI-SANMLTNESA-N 1 0 471.646 3.783 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@H](c4ccc(F)cc4)C[C@H]3C)CC2)cc1 ZINC001311553560 1069436310 /nfs/dbraw/zinc/43/63/10/1069436310.db2.gz DIECFEWFENUHAU-IFMALSPDSA-N 1 0 454.590 3.934 20 10 JHCDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001306788001 1069592984 /nfs/dbraw/zinc/59/29/84/1069592984.db2.gz FXBMLBIKANWYMS-HSZRJFAPSA-N 1 0 478.689 3.731 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2F)CC1 ZINC001311893388 1069601022 /nfs/dbraw/zinc/60/10/22/1069601022.db2.gz WXFQWYTZLKBXMW-NHCUHLMSSA-N 1 0 477.625 3.603 20 10 JHCDRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(C)n1-c1cccc(Br)c1 ZINC001306817972 1069639669 /nfs/dbraw/zinc/63/96/69/1069639669.db2.gz KKTZLDCWFUWEEC-UHFFFAOYSA-N 1 0 457.372 3.832 20 10 JHCDRO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001307642945 1070097628 /nfs/dbraw/zinc/09/76/28/1070097628.db2.gz RBQKKGWQJPRJHU-NZQKXSOJSA-N 1 0 459.631 3.980 20 10 JHCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001307670515 1070114414 /nfs/dbraw/zinc/11/44/14/1070114414.db2.gz SKFQCHWHAUWPHK-WNCULLNHSA-N 1 0 459.634 3.988 20 10 JHCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312885158 1070167185 /nfs/dbraw/zinc/16/71/85/1070167185.db2.gz KXQZPONFMHDDIW-AOYPEHQESA-N 1 0 450.627 3.965 20 10 JHCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001312886474 1070168091 /nfs/dbraw/zinc/16/80/91/1070168091.db2.gz SZDMOVYYFFLNSH-DGWZTRNLSA-N 1 0 467.610 3.620 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)cc2=O ZINC001307853218 1070211947 /nfs/dbraw/zinc/21/19/47/1070211947.db2.gz KJWIQWVMBCFOFS-INIZCTEOSA-N 1 0 459.344 3.581 20 10 JHCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001313064157 1070238925 /nfs/dbraw/zinc/23/89/25/1070238925.db2.gz IPASPEJONHZQRE-YPAWHYETSA-N 1 0 450.627 3.841 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)[NH+](C)C)cc1 ZINC001313152225 1070271430 /nfs/dbraw/zinc/27/14/30/1070271430.db2.gz RMXFPIAQTRUXPE-FNAHDJPLSA-N 1 0 457.416 3.755 20 10 JHCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001308114503 1070318739 /nfs/dbraw/zinc/31/87/39/1070318739.db2.gz RRVQXIVQUYUWBN-QFIPXVFZSA-N 1 0 458.647 3.918 20 10 JHCDRO Cc1cc(C[N@H+](Cc2cc(Br)cc(C)c2O)C2CC2)cc(S(N)(=O)=O)c1C ZINC001308847137 1070447542 /nfs/dbraw/zinc/44/75/42/1070447542.db2.gz BSEBMRCLSHTOPA-UHFFFAOYSA-N 1 0 453.402 3.892 20 10 JHCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC(C)(C)C1 ZINC001308944473 1070463532 /nfs/dbraw/zinc/46/35/32/1070463532.db2.gz RXZNRWNONKDNMO-NRFANRHFSA-N 1 0 458.647 3.904 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+](C)C1CCCCC1 ZINC001314752919 1071005930 /nfs/dbraw/zinc/00/59/30/1071005930.db2.gz GBWGFRHWMATTFU-UHFFFAOYSA-N 1 0 482.654 3.876 20 10 JHCDRO CC(C)CNC(=O)c1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC001310168331 1071176139 /nfs/dbraw/zinc/17/61/39/1071176139.db2.gz PPRYJNCJZNUMPZ-UHFFFAOYSA-N 1 0 458.006 3.799 20 10 JHCDRO COC(=O)c1cc(Cl)cc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001310325796 1071308938 /nfs/dbraw/zinc/30/89/38/1071308938.db2.gz UOXIXHNXMRIJHB-UHFFFAOYSA-N 1 0 456.974 3.980 20 10 JHCDRO CC[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC[NH+](C)C)C[C@@H](C)O1 ZINC001306401006 1068860538 /nfs/dbraw/zinc/86/05/38/1068860538.db2.gz ZTEYNROLCOVTKN-QPPBQGQZSA-N 1 0 480.657 3.935 20 10 JHCDRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001306684107 1069418751 /nfs/dbraw/zinc/41/87/51/1069418751.db2.gz IUTYHAVVTBTHON-UHFFFAOYSA-N 1 0 467.593 3.546 20 10 JHCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001311526063 1069423258 /nfs/dbraw/zinc/42/32/58/1069423258.db2.gz SXYULCMNCXQKTQ-GAJHUEQPSA-N 1 0 452.603 3.700 20 10 JHCDRO CC[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311612481 1069463987 /nfs/dbraw/zinc/46/39/87/1069463987.db2.gz GZNAWJSMBFPVME-QFIPXVFZSA-N 1 0 454.590 3.593 20 10 JHCDRO CCOCc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314306088 1070093542 /nfs/dbraw/zinc/09/35/42/1070093542.db2.gz SNUOXVRWPBSPOS-UHFFFAOYSA-N 1 0 472.703 3.879 20 10 JHCDRO CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001314374858 1070213680 /nfs/dbraw/zinc/21/36/80/1070213680.db2.gz DFVPHGSPIZORFN-UHFFFAOYSA-N 1 0 472.703 3.727 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCc4ccc(F)cc4[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC001307889229 1070226879 /nfs/dbraw/zinc/22/68/79/1070226879.db2.gz KADTWKWARVIYKZ-QRVBRYPASA-N 1 0 457.565 3.856 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)[NH+](C)C)cc1 ZINC001313394311 1070346925 /nfs/dbraw/zinc/34/69/25/1070346925.db2.gz NASRTVQQDKTBEX-DHLKQENFSA-N 1 0 458.610 3.669 20 10 JHCDRO CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)cc1C ZINC001308399487 1070369629 /nfs/dbraw/zinc/36/96/29/1070369629.db2.gz LVNBADSXZFFXSE-UHFFFAOYSA-N 1 0 455.418 3.923 20 10 JHCDRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001313449381 1070374930 /nfs/dbraw/zinc/37/49/30/1070374930.db2.gz DWXCSSZGAPCFQK-NRFANRHFSA-N 1 0 458.626 3.825 20 10 JHCDRO CCCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313487787 1070504801 /nfs/dbraw/zinc/50/48/01/1070504801.db2.gz OAIOEMIEULPZDT-RTWAWAEBSA-N 1 0 477.657 3.798 20 10 JHCDRO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC001314659694 1070782236 /nfs/dbraw/zinc/78/22/36/1070782236.db2.gz AXEIODAUGMAJRK-UHFFFAOYSA-N 1 0 472.653 3.669 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC001313674621 1070912658 /nfs/dbraw/zinc/91/26/58/1070912658.db2.gz UHOUCWBFTHOAQI-UHFFFAOYSA-N 1 0 454.663 3.810 20 10 JHCDRO CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CC(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314735848 1070961283 /nfs/dbraw/zinc/96/12/83/1070961283.db2.gz CBUDGVAGHWJAMC-AREMUKBSSA-N 1 0 486.730 3.777 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001314753710 1071006867 /nfs/dbraw/zinc/00/68/67/1071006867.db2.gz WOHUREBLDFHHQM-QHAWAJNXSA-N 1 0 484.645 3.731 20 10 JHCDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001313713597 1071010841 /nfs/dbraw/zinc/01/08/41/1071010841.db2.gz RYPQQTBMJUUXFX-QFIPXVFZSA-N 1 0 472.653 3.669 20 10 JHCDRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2O)CC1 ZINC001313953246 1071647661 /nfs/dbraw/zinc/64/76/61/1071647661.db2.gz WLVJDBOEDZANGY-QQKQFIJSSA-N 1 0 498.716 3.812 20 10 JHCDRO CCC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)CCCN3C)CC[N@@H+]1CCOC ZINC001306628559 1069327393 /nfs/dbraw/zinc/32/73/93/1069327393.db2.gz GPWPKNMBPFZKLI-XMMPIXPASA-N 1 0 468.690 3.844 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@@H](c4ccc(F)cc4)C[C@H]3C)CC2)cc1 ZINC001311553561 1069436141 /nfs/dbraw/zinc/43/61/41/1069436141.db2.gz DIECFEWFENUHAU-IRLDBZIGSA-N 1 0 454.590 3.934 20 10 JHCDRO C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001311737005 1069527254 /nfs/dbraw/zinc/52/72/54/1069527254.db2.gz SZXPBKMRQJSUCF-FQEVSTJZSA-N 1 0 452.599 3.557 20 10 JHCDRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1 ZINC001307567643 1070056088 /nfs/dbraw/zinc/05/60/88/1070056088.db2.gz SVTFUMXWNYDCBA-JTHBVZDNSA-N 1 0 454.567 3.754 20 10 JHCDRO Cc1cc(CCNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)n1-c1ccccc1 ZINC001313100656 1070250131 /nfs/dbraw/zinc/25/01/31/1070250131.db2.gz MRZKZIXQTTWYRB-SZPZYZBQSA-N 1 0 451.659 3.837 20 10 JHCDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC001307980456 1070268048 /nfs/dbraw/zinc/26/80/48/1070268048.db2.gz ZNYZAWZXULLQOG-XMMPIXPASA-N 1 0 459.631 3.761 20 10 JHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1O ZINC001307977939 1070266215 /nfs/dbraw/zinc/26/62/15/1070266215.db2.gz ZKYFTPILVWKLRW-HXUWFJFHSA-N 1 0 450.551 3.972 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 ZINC001307999577 1070274773 /nfs/dbraw/zinc/27/47/73/1070274773.db2.gz KKZSKBCLKCWOPK-URFREJRNSA-N 1 0 475.992 3.829 20 10 JHCDRO Cc1c(Cl)cccc1N1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001313212259 1070294162 /nfs/dbraw/zinc/29/41/62/1070294162.db2.gz PLUARTLWWNANDT-UHFFFAOYSA-N 1 0 456.034 3.822 20 10 JHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308440924 1070375948 /nfs/dbraw/zinc/37/59/48/1070375948.db2.gz HQCUMWRPTNZFJJ-UGKGYDQZSA-N 1 0 456.635 3.945 20 10 JHCDRO CC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC[N@@H+]1CCOC ZINC001306437627 1068942688 /nfs/dbraw/zinc/94/26/88/1068942688.db2.gz FGOMDBKLCAQENG-QHCPKHFHSA-N 1 0 486.730 3.625 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(Cl)c(OC)c(OC)c3)cc2F)CC1 ZINC001310941202 1069229234 /nfs/dbraw/zinc/22/92/34/1069229234.db2.gz SWXNQVKDWNHWFL-UHFFFAOYSA-N 1 0 450.942 3.960 20 10 JHCDRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306623317 1069314703 /nfs/dbraw/zinc/31/47/03/1069314703.db2.gz BUZCGHAVLUPPGF-JWQCQUIFSA-N 1 0 484.689 3.880 20 10 JHCDRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001306685360 1069420856 /nfs/dbraw/zinc/42/08/56/1069420856.db2.gz BPHXVVWIWTYUNR-HSZRJFAPSA-N 1 0 474.625 3.726 20 10 JHCDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001306780786 1069578184 /nfs/dbraw/zinc/57/81/84/1069578184.db2.gz PKWYFFXDCILPOW-UNMCSNQZSA-N 1 0 472.653 3.984 20 10 JHCDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001312633013 1070054731 /nfs/dbraw/zinc/05/47/31/1070054731.db2.gz JTOQVOMGWVXEQQ-MHJFOBGBSA-N 1 0 455.521 3.888 20 10 JHCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001307642946 1070097902 /nfs/dbraw/zinc/09/79/02/1070097902.db2.gz RBQKKGWQJPRJHU-OFNKIYASSA-N 1 0 459.631 3.980 20 10 JHCDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001312833746 1070146350 /nfs/dbraw/zinc/14/63/50/1070146350.db2.gz MRHGKJJFVJTEKT-HSZRJFAPSA-N 1 0 458.553 3.780 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCc4ccc(F)cc4[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC001307889226 1070226850 /nfs/dbraw/zinc/22/68/50/1070226850.db2.gz KADTWKWARVIYKZ-GBESFXJTSA-N 1 0 457.565 3.856 20 10 JHCDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001313064175 1070239213 /nfs/dbraw/zinc/23/92/13/1070239213.db2.gz IYCQXFHNCQMEBE-AREMUKBSSA-N 1 0 450.627 3.700 20 10 JHCDRO Cc1cc(CCNC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)n1-c1ccccc1 ZINC001313100650 1070250106 /nfs/dbraw/zinc/25/01/06/1070250106.db2.gz MRZKZIXQTTWYRB-FGZHOGPDSA-N 1 0 451.659 3.837 20 10 JHCDRO COc1cccc([C@H]2CC[N@H+](CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2(C)C)c1 ZINC001308045638 1070290928 /nfs/dbraw/zinc/29/09/28/1070290928.db2.gz GNFFNGLNULMKSM-JOCHJYFZSA-N 1 0 455.574 3.555 20 10 JHCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001308114502 1070318287 /nfs/dbraw/zinc/31/82/87/1070318287.db2.gz RRVQXIVQUYUWBN-JOCHJYFZSA-N 1 0 458.647 3.918 20 10 JHCDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c(O)cccc1Br ZINC001308405832 1070371834 /nfs/dbraw/zinc/37/18/34/1070371834.db2.gz WVJKGDKJXOSOPD-GFCCVEGCSA-N 1 0 459.178 3.867 20 10 JHCDRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCSCC3)cc2)C[C@@H]1CC ZINC001314494951 1070411990 /nfs/dbraw/zinc/41/19/90/1070411990.db2.gz UQIONRNVTSFZPV-QHCPKHFHSA-N 1 0 486.730 3.940 20 10 JHCDRO CN(Cc1ccc(N2CCCC2)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001314664586 1070795257 /nfs/dbraw/zinc/79/52/57/1070795257.db2.gz BAOUUAWLNDBIHZ-UHFFFAOYSA-N 1 0 450.635 3.503 20 10 JHCDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001313711184 1071005830 /nfs/dbraw/zinc/00/58/30/1071005830.db2.gz FFESQHBHSZIOIN-NRFANRHFSA-N 1 0 465.621 3.685 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C(=O)NC(C)C)cc3C)cc2F)CC1 ZINC001310182137 1071187930 /nfs/dbraw/zinc/18/79/30/1071187930.db2.gz RSPRQUNLYRWRNB-UHFFFAOYSA-N 1 0 455.578 3.736 20 10 JHCDRO CC[N@H+](CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C ZINC001313804295 1071214387 /nfs/dbraw/zinc/21/43/87/1071214387.db2.gz DYAPAJGBHQRDMV-QFIPXVFZSA-N 1 0 477.657 3.750 20 10 JHCDRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C ZINC001313812575 1071250942 /nfs/dbraw/zinc/25/09/42/1071250942.db2.gz JEDNHIWUHDWAQF-UHFFFAOYSA-N 1 0 481.620 3.853 20 10 JHCDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)Cc2ccccc2O)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313916131 1071551984 /nfs/dbraw/zinc/55/19/84/1071551984.db2.gz WFMMKWUBILPOJR-PXDATVDWSA-N 1 0 457.619 3.535 20 10 JHCDRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)Cc3ccc(N4CCCC4)cc3)nnc2C(C)(C)C)CC1 ZINC001313926704 1071577622 /nfs/dbraw/zinc/57/76/22/1071577622.db2.gz FTJMTUXRHWIRDI-QFIPXVFZSA-N 1 0 467.706 3.838 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(OC)c(Cl)c(OC)c3)cc2F)CC1 ZINC001310861508 1069197404 /nfs/dbraw/zinc/19/74/04/1069197404.db2.gz UPTITLKREGYBMV-UHFFFAOYSA-N 1 0 450.942 3.960 20 10 JHCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccsc1 ZINC001311392890 1069359176 /nfs/dbraw/zinc/35/91/76/1069359176.db2.gz AOLDXRMIHNYUQI-FQEVSTJZSA-N 1 0 452.571 3.745 20 10 JHCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001311526065 1069423187 /nfs/dbraw/zinc/42/31/87/1069423187.db2.gz SXYULCMNCXQKTQ-HXOBKFHXSA-N 1 0 452.603 3.700 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(c4ccccc4Cl)CC3)CC2)cc1 ZINC001311554298 1069436693 /nfs/dbraw/zinc/43/66/93/1069436693.db2.gz MBSGDBLJGZRKQA-UHFFFAOYSA-N 1 0 457.018 3.892 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2F)C[C@@H](C)O1 ZINC001311611895 1069463598 /nfs/dbraw/zinc/46/35/98/1069463598.db2.gz DQCOORGLYHHHGG-NNLJWKLDSA-N 1 0 454.590 3.584 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCOc4c(OC)cccc43)cc2F)CC1 ZINC001311892887 1069601176 /nfs/dbraw/zinc/60/11/76/1069601176.db2.gz NYWYFVZYBOETEH-NRFANRHFSA-N 1 0 456.562 3.689 20 10 JHCDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(=O)NC)C1 ZINC001307031103 1069740846 /nfs/dbraw/zinc/74/08/46/1069740846.db2.gz CLJNTQNKERXKGM-QFIPXVFZSA-N 1 0 477.657 3.657 20 10 JHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001307656117 1070105299 /nfs/dbraw/zinc/10/52/99/1070105299.db2.gz RUQCATYNOZIVOZ-BZSNNMDCSA-N 1 0 459.610 3.666 20 10 JHCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c3ccccc3C)CC2)cc1 ZINC001307726520 1070151153 /nfs/dbraw/zinc/15/11/53/1070151153.db2.gz FEQXBFUPQXSPSP-REWPJTCUSA-N 1 0 451.533 3.770 20 10 JHCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001312884247 1070166355 /nfs/dbraw/zinc/16/63/55/1070166355.db2.gz DIVOGNJLMBKRFV-ZEQKJWHPSA-N 1 0 450.627 3.964 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)cc2=O ZINC001307853219 1070212192 /nfs/dbraw/zinc/21/21/92/1070212192.db2.gz KJWIQWVMBCFOFS-MRXNPFEDSA-N 1 0 459.344 3.581 20 10 JHCDRO COc1ccc(N2CCC([NH2+]CCNS(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC001308402172 1070370669 /nfs/dbraw/zinc/37/06/69/1070370669.db2.gz UGAIQIKAGZVRRB-UHFFFAOYSA-N 1 0 458.411 3.539 20 10 JHCDRO COCCC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001308912264 1070457989 /nfs/dbraw/zinc/45/79/89/1070457989.db2.gz VGBJHKZEDJUCNF-UHFFFAOYSA-N 1 0 458.603 3.836 20 10 JHCDRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314950321 1071417641 /nfs/dbraw/zinc/41/76/41/1071417641.db2.gz XBBOWAZYLMYIQM-QUCCMNQESA-N 1 0 477.657 3.654 20 10 JHCDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCS(=O)(=O)CC ZINC001313894188 1071492584 /nfs/dbraw/zinc/49/25/84/1071492584.db2.gz UELWJLPTEFLPGI-QHCPKHFHSA-N 1 0 498.697 3.708 20 10 JHCDRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306620712 1069307709 /nfs/dbraw/zinc/30/77/09/1069307709.db2.gz IRXUYLTXMSFUCM-RUZDIDTESA-N 1 0 477.657 3.700 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2F)C[C@H](C)O1 ZINC001311611898 1069463525 /nfs/dbraw/zinc/46/35/25/1069463525.db2.gz DQCOORGLYHHHGG-VNHKHXMHSA-N 1 0 454.590 3.584 20 10 JHCDRO C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2F)C[C@H](C)O1 ZINC001311611891 1069463636 /nfs/dbraw/zinc/46/36/36/1069463636.db2.gz DQCOORGLYHHHGG-LBVMUVSTSA-N 1 0 454.590 3.584 20 10 JHCDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC001311976308 1069646425 /nfs/dbraw/zinc/64/64/25/1069646425.db2.gz NOCQENSHOMTFNU-UXHICEINSA-N 1 0 450.071 3.649 20 10 JHCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CCc4cc(Cl)cc(Cl)c4C3)CC2)cc1 ZINC001307524466 1070033900 /nfs/dbraw/zinc/03/39/00/1070033900.db2.gz VATZCPSAXLATOE-FQEVSTJZSA-N 1 0 450.410 3.543 20 10 JHCDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001312633015 1070054562 /nfs/dbraw/zinc/05/45/62/1070054562.db2.gz JTOQVOMGWVXEQQ-SOAGJPPSSA-N 1 0 455.521 3.888 20 10 JHCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001307670514 1070114331 /nfs/dbraw/zinc/11/43/31/1070114331.db2.gz SKFQCHWHAUWPHK-KCWPFWIISA-N 1 0 459.634 3.988 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+]C(C)(C)COCc3ccccc3)cc2F)C[C@@H](C)O1 ZINC001307718984 1070144330 /nfs/dbraw/zinc/14/43/30/1070144330.db2.gz FTCINVIVSNFKQU-WOJBJXKFSA-N 1 0 457.590 3.641 20 10 JHCDRO CC[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001312834265 1070146488 /nfs/dbraw/zinc/14/64/88/1070146488.db2.gz UWHJVJGVHOTVOL-OAQYLSRUSA-N 1 0 458.553 3.607 20 10 JHCDRO CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001314374162 1070212745 /nfs/dbraw/zinc/21/27/45/1070212745.db2.gz KQLDYFWOSGLADN-UHFFFAOYSA-N 1 0 470.662 3.804 20 10 JHCDRO CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(C2CCCC2)n1CC(C)(C)C[NH+](C)C ZINC001314666993 1070801100 /nfs/dbraw/zinc/80/11/00/1070801100.db2.gz ADANJPLVEDFGLR-UHFFFAOYSA-N 1 0 454.663 3.997 20 10 JHCDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313656109 1070848436 /nfs/dbraw/zinc/84/84/36/1070848436.db2.gz DWIVDNITKDHMTL-UNMCSNQZSA-N 1 0 477.657 3.750 20 10 JHCDRO CC[N@H+](CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](OC)[C@@H](OC)C1)C(C)C ZINC001313805857 1071222062 /nfs/dbraw/zinc/22/20/62/1071222062.db2.gz UXMJLRZJRPJCGE-PLQXJYEYSA-N 1 0 480.657 3.933 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC001313867970 1071401745 /nfs/dbraw/zinc/40/17/45/1071401745.db2.gz LJPZLEGXPHJEOU-UXHICEINSA-N 1 0 472.653 3.810 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC001313874550 1071429497 /nfs/dbraw/zinc/42/94/97/1071429497.db2.gz IXZZXOMAFQFMBP-VQTJNVASSA-N 1 0 495.697 3.611 20 10 JHCDRO CC[NH+]1CCN([C@H](C)Cn2c(N(C)Cc3ccc(N4CCCC4)cc3)nnc2C(C)(C)C)CC1 ZINC001313926703 1071577708 /nfs/dbraw/zinc/57/77/08/1071577708.db2.gz FTJMTUXRHWIRDI-JOCHJYFZSA-N 1 0 467.706 3.838 20 10 JHCDRO CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306179220 1068569290 /nfs/dbraw/zinc/56/92/90/1068569290.db2.gz SEZOQMPLUHCRQR-OAQYLSRUSA-N 1 0 454.644 3.930 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnc(Br)c3C)cc2F)CC1 ZINC001310821740 1069177914 /nfs/dbraw/zinc/17/79/14/1069177914.db2.gz MBVCOWTXCQWAJC-UHFFFAOYSA-N 1 0 450.356 3.755 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)CC2)cc1 ZINC001311556331 1069436704 /nfs/dbraw/zinc/43/67/04/1069436704.db2.gz OPVDYLDIRYRDDQ-AREMUKBSSA-N 1 0 454.590 3.720 20 10 JHCDRO CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311615330 1069467265 /nfs/dbraw/zinc/46/72/65/1069467265.db2.gz ZLVQJCRMBAWDKF-QFIPXVFZSA-N 1 0 454.590 3.593 20 10 JHCDRO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001314398320 1070258854 /nfs/dbraw/zinc/25/88/54/1070258854.db2.gz HGOFVQNHVAHKHE-UHFFFAOYSA-N 1 0 498.716 3.630 20 10 JHCDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC001307980453 1070267939 /nfs/dbraw/zinc/26/79/39/1070267939.db2.gz ZNYZAWZXULLQOG-DEOSSOPVSA-N 1 0 459.631 3.761 20 10 JHCDRO Brc1cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)ccc1N1CCCCC1 ZINC001308227995 1070342969 /nfs/dbraw/zinc/34/29/69/1070342969.db2.gz YEQWONGNAZTPPT-OAQYLSRUSA-N 1 0 454.478 3.737 20 10 JHCDRO COc1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)cc1Cn1cccn1 ZINC001308368068 1070362492 /nfs/dbraw/zinc/36/24/92/1070362492.db2.gz MCQGEVUACQWXNG-UHFFFAOYSA-N 1 0 454.372 3.991 20 10 JHCDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313656108 1070848585 /nfs/dbraw/zinc/84/85/85/1070848585.db2.gz DWIVDNITKDHMTL-RBBKRZOGSA-N 1 0 477.657 3.750 20 10 JHCDRO CC[N@H+](CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC001313804294 1071214447 /nfs/dbraw/zinc/21/44/47/1071214447.db2.gz DYAPAJGBHQRDMV-JOCHJYFZSA-N 1 0 477.657 3.750 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)C[C@H]1C ZINC001313864811 1071386380 /nfs/dbraw/zinc/38/63/80/1071386380.db2.gz CGHOOFPGUOZGEO-FGTMMUONSA-N 1 0 450.678 3.730 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)CC1 ZINC001310441617 1071392156 /nfs/dbraw/zinc/39/21/56/1071392156.db2.gz JSYFUGHNOQUMFE-UHFFFAOYSA-N 1 0 451.958 3.973 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC001310462457 1071405137 /nfs/dbraw/zinc/40/51/37/1071405137.db2.gz CGPFIEJXCJKKAS-UHFFFAOYSA-N 1 0 458.488 3.965 20 10 JHCDRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1([NH+](C)C)CCC1 ZINC001314947529 1071407235 /nfs/dbraw/zinc/40/72/35/1071407235.db2.gz AUQOPUASENIOFM-LJQANCHMSA-N 1 0 477.657 3.655 20 10 JHCDRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2O)C1 ZINC001313890361 1071482241 /nfs/dbraw/zinc/48/22/41/1071482241.db2.gz MGJBSMTUGSVQFJ-NRSPTQNISA-N 1 0 484.645 3.733 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)cc2)CC1 ZINC001310610505 1069054142 /nfs/dbraw/zinc/05/41/42/1069054142.db2.gz HCHOPDCOBRLMPK-UHFFFAOYSA-N 1 0 456.953 3.797 20 10 JHCDRO CCC[N@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001306806779 1069620203 /nfs/dbraw/zinc/62/02/03/1069620203.db2.gz ZRHYVMYZCVHSNE-UHFFFAOYSA-N 1 0 451.619 3.730 20 10 JHCDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC001312557777 1070012493 /nfs/dbraw/zinc/01/24/93/1070012493.db2.gz CONZVICJYMPHCO-HSZRJFAPSA-N 1 0 458.553 3.511 20 10 JHCDRO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2 ZINC001307640879 1070097094 /nfs/dbraw/zinc/09/70/94/1070097094.db2.gz BDJOKAIPGSMLJA-INIZCTEOSA-N 1 0 457.596 3.539 20 10 JHCDRO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001307642947 1070097564 /nfs/dbraw/zinc/09/75/64/1070097564.db2.gz RBQKKGWQJPRJHU-REWPJTCUSA-N 1 0 459.631 3.980 20 10 JHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308440922 1070376039 /nfs/dbraw/zinc/37/60/39/1070376039.db2.gz HQCUMWRPTNZFJJ-KNQAVFIVSA-N 1 0 456.635 3.945 20 10 JHCDRO COC(=O)c1c(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)c2cc(F)ccc2n1C ZINC001308620049 1070403464 /nfs/dbraw/zinc/40/34/64/1070403464.db2.gz RHJFMOCGLFMAGY-IBGZPJMESA-N 1 0 453.558 3.827 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001313680413 1070938374 /nfs/dbraw/zinc/93/83/74/1070938374.db2.gz YIHQGZKXHQVREF-UHFFFAOYSA-N 1 0 495.716 3.853 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(N3CC[N@H+](CC)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001313680154 1070937826 /nfs/dbraw/zinc/93/78/26/1070937826.db2.gz WIVFCZXISOMWKE-AMGIVPHBSA-N 1 0 484.689 3.744 20 10 JHCDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001313724626 1071031046 /nfs/dbraw/zinc/03/10/46/1071031046.db2.gz AOMWVXYNVRWJCG-QPPBQGQZSA-N 1 0 470.662 3.723 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)[NH+](C)C)cc1 ZINC001310190897 1071196016 /nfs/dbraw/zinc/19/60/16/1071196016.db2.gz PKEGRFAKIPGZLZ-DEOSSOPVSA-N 1 0 451.615 3.732 20 10 JHCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccsc1 ZINC001311392893 1069359223 /nfs/dbraw/zinc/35/92/23/1069359223.db2.gz AOLDXRMIHNYUQI-HXUWFJFHSA-N 1 0 452.571 3.745 20 10 JHCDRO O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001311441090 1069381718 /nfs/dbraw/zinc/38/17/18/1069381718.db2.gz AFQYRPMHHRNAQQ-UHFFFAOYSA-N 1 0 458.553 3.862 20 10 JHCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001311526066 1069423404 /nfs/dbraw/zinc/42/34/04/1069423404.db2.gz SXYULCMNCXQKTQ-SBUREZEXSA-N 1 0 452.603 3.700 20 10 JHCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC001311546396 1069433128 /nfs/dbraw/zinc/43/31/28/1069433128.db2.gz UQHQMOJCOAUOFL-UHFFFAOYSA-N 1 0 456.034 3.902 20 10 JHCDRO C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001311737007 1069527947 /nfs/dbraw/zinc/52/79/47/1069527947.db2.gz SZXPBKMRQJSUCF-HXUWFJFHSA-N 1 0 452.599 3.557 20 10 JHCDRO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)cc1 ZINC001307614127 1070082372 /nfs/dbraw/zinc/08/23/72/1070082372.db2.gz VZQNOQWNRSLOJP-DFXHWTJYSA-N 1 0 455.574 3.805 20 10 JHCDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001307656118 1070105258 /nfs/dbraw/zinc/10/52/58/1070105258.db2.gz RUQCATYNOZIVOZ-FGTMMUONSA-N 1 0 459.610 3.666 20 10 JHCDRO CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314392229 1070247834 /nfs/dbraw/zinc/24/78/34/1070247834.db2.gz WBIHQVWRNIPCCC-UHFFFAOYSA-N 1 0 474.625 3.553 20 10 JHCDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4c(O)cccc4Br)CC3)cc2NC1=O ZINC001308591234 1070396981 /nfs/dbraw/zinc/39/69/81/1070396981.db2.gz GZUCRDUZOJQBRI-ZDUSSCGKSA-N 1 0 459.340 3.969 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(N3CC[N@H+](CC)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001313680156 1070937386 /nfs/dbraw/zinc/93/73/86/1070937386.db2.gz WIVFCZXISOMWKE-WXVAWEFUSA-N 1 0 484.689 3.744 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC001313867863 1071401467 /nfs/dbraw/zinc/40/14/67/1071401467.db2.gz LJTLUWKMYGSZFS-RBUKOAKNSA-N 1 0 467.687 3.975 20 10 JHCDRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001314950320 1071417537 /nfs/dbraw/zinc/41/75/37/1071417537.db2.gz XBBOWAZYLMYIQM-ICSRJNTNSA-N 1 0 477.657 3.654 20 10 JHCDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)Cc2ccccc2O)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313916129 1071552125 /nfs/dbraw/zinc/55/21/25/1071552125.db2.gz WFMMKWUBILPOJR-BWKNWUBXSA-N 1 0 457.619 3.535 20 10 JHCDRO CCN1CC[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2O)CC1 ZINC001313960048 1071668617 /nfs/dbraw/zinc/66/86/17/1071668617.db2.gz FMGRTSUFFZSLOU-ILBGXUMGSA-N 1 0 498.716 3.956 20 10 JHCDRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306426287 1068921545 /nfs/dbraw/zinc/92/15/45/1068921545.db2.gz WSKCAWOOVNGHPA-HSZRJFAPSA-N 1 0 477.657 3.618 20 10 JHCDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001306719523 1069453396 /nfs/dbraw/zinc/45/33/96/1069453396.db2.gz BISWDRSTRLTSAK-NRFANRHFSA-N 1 0 454.619 3.511 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)cc2F)C[C@H](C)O1 ZINC001311613606 1069465622 /nfs/dbraw/zinc/46/56/22/1069465622.db2.gz WPVFMYVLTOMENU-ZRCGQRJVSA-N 1 0 454.590 3.855 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2F)CC1 ZINC001311893216 1069600948 /nfs/dbraw/zinc/60/09/48/1069600948.db2.gz ULGWEUDEXOKQOC-DENIHFKCSA-N 1 0 480.506 3.701 20 10 JHCDRO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)cc1 ZINC001307614128 1070082530 /nfs/dbraw/zinc/08/25/30/1070082530.db2.gz VZQNOQWNRSLOJP-FIAZIHOUSA-N 1 0 455.574 3.805 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[NH+](C)C)cc1 ZINC001313012903 1070220843 /nfs/dbraw/zinc/22/08/43/1070220843.db2.gz QFJPYQFRELSBEB-SFTDATJTSA-N 1 0 459.635 3.587 20 10 JHCDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCc2ccc(OC)cc2O)cc1 ZINC001313132198 1070262112 /nfs/dbraw/zinc/26/21/12/1070262112.db2.gz GACRQCQIRUMSMW-LOSJGSFVSA-N 1 0 461.562 3.877 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(OC)c4ccccc43)cc2F)CC1 ZINC001309164875 1070580558 /nfs/dbraw/zinc/58/05/58/1070580558.db2.gz YTECCJGFQGQYGX-UHFFFAOYSA-N 1 0 457.571 3.608 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC001313867861 1071401484 /nfs/dbraw/zinc/40/14/84/1071401484.db2.gz LJTLUWKMYGSZFS-MOPGFXCFSA-N 1 0 467.687 3.975 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC001313867864 1071401792 /nfs/dbraw/zinc/40/17/92/1071401792.db2.gz LJTLUWKMYGSZFS-RTBURBONSA-N 1 0 467.687 3.975 20 10 JHCDRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314950322 1071417671 /nfs/dbraw/zinc/41/76/71/1071417671.db2.gz XBBOWAZYLMYIQM-UYAOXDASSA-N 1 0 477.657 3.654 20 10 JHCDRO CC[NH+]1CCC(CCn2c(N(C)Cc3ccccc3O)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001313881334 1071454394 /nfs/dbraw/zinc/45/43/94/1071454394.db2.gz IYALOBBQHHKSOI-AREMUKBSSA-N 1 0 471.646 3.783 20 10 JHCDRO CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)Cc2ccccc2O)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313916130 1071552024 /nfs/dbraw/zinc/55/20/24/1071552024.db2.gz WFMMKWUBILPOJR-OFVILXPXSA-N 1 0 457.619 3.535 20 10 JHCDRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2O)CC1 ZINC001313953244 1071647640 /nfs/dbraw/zinc/64/76/40/1071647640.db2.gz WLVJDBOEDZANGY-GZGNHOFSSA-N 1 0 498.716 3.812 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)cc2F)CC1 ZINC001311082662 1069267533 /nfs/dbraw/zinc/26/75/33/1069267533.db2.gz DWWNMHWDJRCBBB-LEWJYISDSA-N 1 0 454.546 3.566 20 10 JHCDRO COC(=O)CCc1cccc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001311164578 1069287782 /nfs/dbraw/zinc/28/77/82/1069287782.db2.gz FNMZEISKFPKADR-UHFFFAOYSA-N 1 0 450.583 3.646 20 10 JHCDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(=O)NC)C1 ZINC001307031101 1069740794 /nfs/dbraw/zinc/74/07/94/1069740794.db2.gz CLJNTQNKERXKGM-JOCHJYFZSA-N 1 0 477.657 3.657 20 10 JHCDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC001312557779 1070012576 /nfs/dbraw/zinc/01/25/76/1070012576.db2.gz CONZVICJYMPHCO-QHCPKHFHSA-N 1 0 458.553 3.511 20 10 JHCDRO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C2CC2)cc1 ZINC001307614130 1070082486 /nfs/dbraw/zinc/08/24/86/1070082486.db2.gz VZQNOQWNRSLOJP-UYPAYLBCSA-N 1 0 455.574 3.805 20 10 JHCDRO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1ccc(N3CCOCC3)cc1)CCC2 ZINC001307640880 1070096961 /nfs/dbraw/zinc/09/69/61/1070096961.db2.gz BDJOKAIPGSMLJA-MRXNPFEDSA-N 1 0 457.596 3.539 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCc4ccc(F)cc4[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC001307889228 1070226802 /nfs/dbraw/zinc/22/68/02/1070226802.db2.gz KADTWKWARVIYKZ-IPMKNSEASA-N 1 0 457.565 3.856 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001313861945 1071376632 /nfs/dbraw/zinc/37/66/32/1071376632.db2.gz OHECUIUGXMVOPN-RTBURBONSA-N 1 0 499.610 3.653 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC001313867862 1071401579 /nfs/dbraw/zinc/40/15/79/1071401579.db2.gz LJTLUWKMYGSZFS-OALUTQOASA-N 1 0 467.687 3.975 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC001313874551 1071429607 /nfs/dbraw/zinc/42/96/07/1071429607.db2.gz IXZZXOMAFQFMBP-WOJBJXKFSA-N 1 0 495.697 3.611 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnc(Oc4ccccc4)nc3)cc2F)CC1 ZINC001311051103 1069258761 /nfs/dbraw/zinc/25/87/61/1069258761.db2.gz RAINMMVVROMUGJ-UHFFFAOYSA-N 1 0 450.518 3.872 20 10 JHCDRO CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc1 ZINC001311243755 1069306001 /nfs/dbraw/zinc/30/60/01/1069306001.db2.gz LLCBJIAHBBDBJZ-UHFFFAOYSA-N 1 0 454.575 3.857 20 10 JHCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001311526067 1069423290 /nfs/dbraw/zinc/42/32/90/1069423290.db2.gz SXYULCMNCXQKTQ-UZUQRXQVSA-N 1 0 452.603 3.700 20 10 JHCDRO COc1cccc([C@H](CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)[NH+]2CCCC2)c1 ZINC001311580496 1069448223 /nfs/dbraw/zinc/44/82/23/1069448223.db2.gz LYFMTUHIDBIIIY-QHCPKHFHSA-N 1 0 456.562 3.512 20 10 JHCDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001306719524 1069453452 /nfs/dbraw/zinc/45/34/52/1069453452.db2.gz BISWDRSTRLTSAK-OAQYLSRUSA-N 1 0 454.619 3.511 20 10 JHCDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001306787675 1069592370 /nfs/dbraw/zinc/59/23/70/1069592370.db2.gz GRNADRNAURTFNQ-JOCHJYFZSA-N 1 0 465.621 3.685 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CSc4ccccc4O3)cc2F)CC1 ZINC001311893151 1069601058 /nfs/dbraw/zinc/60/10/58/1069601058.db2.gz SOUKYMWRUITSBM-LJQANCHMSA-N 1 0 458.603 3.710 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2F)CC1 ZINC001311893332 1069601146 /nfs/dbraw/zinc/60/11/46/1069601146.db2.gz VNOAHKNUQUZEKT-UHFFFAOYSA-N 1 0 455.534 3.750 20 10 JHCDRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1ccc(N2CC=CC2)cc1 ZINC001311905650 1069607669 /nfs/dbraw/zinc/60/76/69/1069607669.db2.gz WUZGNLIHASTBRZ-UHFFFAOYSA-N 1 0 454.018 3.728 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[NH+](C)C)cc1 ZINC001313012901 1070220877 /nfs/dbraw/zinc/22/08/77/1070220877.db2.gz QFJPYQFRELSBEB-RTWAWAEBSA-N 1 0 459.635 3.587 20 10 JHCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)cc1 ZINC001308186529 1070338485 /nfs/dbraw/zinc/33/84/85/1070338485.db2.gz GVOGRXNZDIKWEP-UHFFFAOYSA-N 1 0 455.603 3.739 20 10 JHCDRO CN(C)c1c(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc(F)c1F ZINC001308223505 1070342725 /nfs/dbraw/zinc/34/27/25/1070342725.db2.gz SCEBWLRFQRTUHM-UHFFFAOYSA-N 1 0 456.516 3.576 20 10 JHCDRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001313667290 1070888858 /nfs/dbraw/zinc/88/88/58/1070888858.db2.gz KPCLVCUQSVEUJA-QHCPKHFHSA-N 1 0 494.688 3.595 20 10 JHCDRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001313720169 1071021325 /nfs/dbraw/zinc/02/13/25/1071021325.db2.gz GNSGUSMOOYFAPB-HSZRJFAPSA-N 1 0 456.635 3.587 20 10 JHCDRO CCC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)CCCN3C)CC[N@@H+]1CCOC ZINC001306628558 1069326909 /nfs/dbraw/zinc/32/69/09/1069326909.db2.gz GPWPKNMBPFZKLI-DEOSSOPVSA-N 1 0 468.690 3.844 20 10 JHCDRO CCCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)=O)CC1 ZINC001306681588 1069411328 /nfs/dbraw/zinc/41/13/28/1069411328.db2.gz OQHPWSBVSZBLLH-UHFFFAOYSA-N 1 0 477.657 3.753 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)cc2F)C[C@@H](C)O1 ZINC001311613602 1069465615 /nfs/dbraw/zinc/46/56/15/1069465615.db2.gz WPVFMYVLTOMENU-TXTKFYIRSA-N 1 0 454.590 3.855 20 10 JHCDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC001311862802 1069586459 /nfs/dbraw/zinc/58/64/59/1069586459.db2.gz QYIQYQOKGWRAIS-UHFFFAOYSA-N 1 0 452.599 3.728 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)cc2F)CC1 ZINC001311892078 1069600449 /nfs/dbraw/zinc/60/04/49/1069600449.db2.gz FJCLTTBRNCJMIE-KRWDZBQOSA-N 1 0 458.582 3.959 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)cc2=O ZINC001307577263 1070061257 /nfs/dbraw/zinc/06/12/57/1070061257.db2.gz KJGLVFVZOJGQOY-AWEZNQCLSA-N 1 0 451.310 3.572 20 10 JHCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c3ccccc3C)CC2)cc1 ZINC001307726519 1070151450 /nfs/dbraw/zinc/15/14/50/1070151450.db2.gz FEQXBFUPQXSPSP-OFNKIYASSA-N 1 0 451.533 3.770 20 10 JHCDRO Cn1c2ccccc2c(Br)c1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001308217434 1070341503 /nfs/dbraw/zinc/34/15/03/1070341503.db2.gz BJFKSOHAMUPSIT-QGZVFWFLSA-N 1 0 455.400 3.932 20 10 JHCDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001313706686 1070996343 /nfs/dbraw/zinc/99/63/43/1070996343.db2.gz ILNGIUNTNMCWSL-NRFANRHFSA-N 1 0 458.626 3.594 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314751689 1071004506 /nfs/dbraw/zinc/00/45/06/1071004506.db2.gz YCBCTIBZKMHNNK-OAQYLSRUSA-N 1 0 491.459 3.815 20 10 JHCDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001313723282 1071028654 /nfs/dbraw/zinc/02/86/54/1071028654.db2.gz NJCVCUWFAHMUTE-OAQYLSRUSA-N 1 0 463.630 3.796 20 10 JHCDRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1O)C1CC1 ZINC001313804731 1071216472 /nfs/dbraw/zinc/21/64/72/1071216472.db2.gz JMIZPFBJPPPOTO-UHFFFAOYSA-N 1 0 473.419 3.872 20 10 JHCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001310423402 1071382314 /nfs/dbraw/zinc/38/23/14/1071382314.db2.gz KXONYURNANOEIH-UHFFFAOYSA-N 1 0 456.562 3.849 20 10 JHCDRO CC[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC[NH+](C)C)C[C@@H](C)O1 ZINC001306401009 1068860614 /nfs/dbraw/zinc/86/06/14/1068860614.db2.gz ZTEYNROLCOVTKN-ZJSXRUAMSA-N 1 0 480.657 3.935 20 10 JHCDRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306623316 1069314413 /nfs/dbraw/zinc/31/44/13/1069314413.db2.gz BUZCGHAVLUPPGF-DQEYMECFSA-N 1 0 484.689 3.880 20 10 JHCDRO C[C@H](NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC001311852828 1069580381 /nfs/dbraw/zinc/58/03/81/1069580381.db2.gz XHYKDUBWERHMRW-FQEVSTJZSA-N 1 0 454.615 3.803 20 10 JHCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCc1c(F)c(F)cc(F)c1F ZINC001312188052 1069770974 /nfs/dbraw/zinc/77/09/74/1069770974.db2.gz BYKUUPFJDJPDQX-UHFFFAOYSA-N 1 0 450.480 3.774 20 10 JHCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC001307670513 1070114575 /nfs/dbraw/zinc/11/45/75/1070114575.db2.gz SKFQCHWHAUWPHK-HOFKKMOUSA-N 1 0 459.634 3.988 20 10 JHCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)CC2)cc1 ZINC001312832776 1070145392 /nfs/dbraw/zinc/14/53/92/1070145392.db2.gz CQUGALVVOXZHOO-UHFFFAOYSA-N 1 0 458.553 3.527 20 10 JHCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1c1ccc(Br)cc1 ZINC001307859203 1070213948 /nfs/dbraw/zinc/21/39/48/1070213948.db2.gz DZWRHTWBYCZQMQ-RBUKOAKNSA-N 1 0 450.304 3.885 20 10 JHCDRO CCOCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314376437 1070216132 /nfs/dbraw/zinc/21/61/32/1070216132.db2.gz ZRLOCMRAXNTTHL-UHFFFAOYSA-N 1 0 470.662 3.662 20 10 JHCDRO C[C@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2F)C[C@H](C)O1 ZINC001307999575 1070274669 /nfs/dbraw/zinc/27/46/69/1070274669.db2.gz KKZSKBCLKCWOPK-LWIQQOSISA-N 1 0 475.992 3.829 20 10 JHCDRO C[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccccc1O ZINC001308010655 1070279319 /nfs/dbraw/zinc/27/93/19/1070279319.db2.gz VQTRZXMDAVOGHV-YQNUULROSA-N 1 0 459.955 3.549 20 10 JHCDRO CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001313212997 1070294099 /nfs/dbraw/zinc/29/40/99/1070294099.db2.gz WWNLTLQOGMKRHE-HSZRJFAPSA-N 1 0 452.599 3.675 20 10 JHCDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001308258368 1070346950 /nfs/dbraw/zinc/34/69/50/1070346950.db2.gz BJHHLTZVQRQFDC-SFHVURJKSA-N 1 0 457.416 3.907 20 10 JHCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)NC(=O)OC(C)(C)C)cc1 ZINC001308353280 1070361045 /nfs/dbraw/zinc/36/10/45/1070361045.db2.gz NIGXQSKBPWVNAM-QFIPXVFZSA-N 1 0 456.587 3.806 20 10 JHCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308440921 1070375872 /nfs/dbraw/zinc/37/58/72/1070375872.db2.gz HQCUMWRPTNZFJJ-DENIHFKCSA-N 1 0 456.635 3.945 20 10 JHCDRO CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCSCC3)cc2)C[C@H]1CC ZINC001314494950 1070411977 /nfs/dbraw/zinc/41/19/77/1070411977.db2.gz UQIONRNVTSFZPV-HSZRJFAPSA-N 1 0 486.730 3.940 20 10 JHCDRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c(C)n1-c1cccc(C)c1 ZINC001308897897 1070456599 /nfs/dbraw/zinc/45/65/99/1070456599.db2.gz RHYHBUGWAQQGPD-UHFFFAOYSA-N 1 0 455.628 3.685 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(N3CC[N@H+](CC)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001313680155 1070937692 /nfs/dbraw/zinc/93/76/92/1070937692.db2.gz WIVFCZXISOMWKE-CUNXSJBXSA-N 1 0 484.689 3.744 20 10 JHCDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001313706687 1070996867 /nfs/dbraw/zinc/99/68/67/1070996867.db2.gz ILNGIUNTNMCWSL-OAQYLSRUSA-N 1 0 458.626 3.594 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001314753709 1071007014 /nfs/dbraw/zinc/00/70/14/1071007014.db2.gz WOHUREBLDFHHQM-HBMCJLEFSA-N 1 0 484.645 3.731 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001313861942 1071375567 /nfs/dbraw/zinc/37/55/67/1071375567.db2.gz OHECUIUGXMVOPN-MOPGFXCFSA-N 1 0 499.610 3.653 20 10 JHCDRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001306683940 1069418672 /nfs/dbraw/zinc/41/86/72/1069418672.db2.gz GJDSBBXUUIRCSI-UHFFFAOYSA-N 1 0 463.630 3.797 20 10 JHCDRO CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001311615327 1069467330 /nfs/dbraw/zinc/46/73/30/1069467330.db2.gz ZLVQJCRMBAWDKF-JOCHJYFZSA-N 1 0 454.590 3.593 20 10 JHCDRO CCC[N@H+](CC)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001306797996 1069603408 /nfs/dbraw/zinc/60/34/08/1069603408.db2.gz KJPRBULIGGZXGV-HSZRJFAPSA-N 1 0 498.697 3.708 20 10 JHCDRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1 ZINC001307567642 1070055823 /nfs/dbraw/zinc/05/58/23/1070055823.db2.gz SVTFUMXWNYDCBA-GMAHTHKFSA-N 1 0 454.567 3.754 20 10 JHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001307656119 1070105362 /nfs/dbraw/zinc/10/53/62/1070105362.db2.gz RUQCATYNOZIVOZ-KSZLIROESA-N 1 0 459.610 3.666 20 10 JHCDRO C[NH+](C)C[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC001312833126 1070145440 /nfs/dbraw/zinc/14/54/40/1070145440.db2.gz FNYZMOJYQFGSPR-FQEVSTJZSA-N 1 0 452.933 3.557 20 10 JHCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1O ZINC001307977938 1070266325 /nfs/dbraw/zinc/26/63/25/1070266325.db2.gz ZKYFTPILVWKLRW-FQEVSTJZSA-N 1 0 450.551 3.972 20 10 JHCDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)CC1 ZINC001308586689 1070395453 /nfs/dbraw/zinc/39/54/53/1070395453.db2.gz LTWDWZDOJGLGQZ-UHFFFAOYSA-N 1 0 451.611 3.737 20 10 JHCDRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)CC1 ZINC001308613256 1070401400 /nfs/dbraw/zinc/40/14/00/1070401400.db2.gz FDEDVHOHSDQIMJ-OAQYLSRUSA-N 1 0 453.583 3.837 20 10 JHCDRO CCCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313487786 1070504699 /nfs/dbraw/zinc/50/46/99/1070504699.db2.gz OAIOEMIEULPZDT-NHCUHLMSSA-N 1 0 477.657 3.798 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314751264 1071004008 /nfs/dbraw/zinc/00/40/08/1071004008.db2.gz RAIHAQZSJAZMPZ-QFIPXVFZSA-N 1 0 459.019 3.773 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314753548 1071006378 /nfs/dbraw/zinc/00/63/78/1071006378.db2.gz QXXUBFNPSQCXIU-LJQANCHMSA-N 1 0 496.662 3.976 20 10 JHCDRO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(F)cc1Br ZINC001309933355 1071021311 /nfs/dbraw/zinc/02/13/11/1071021311.db2.gz BKBKLSKQRYYKQO-SFHVURJKSA-N 1 0 458.397 3.544 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccccc3C(=O)N3CCCC3)cc2F)CC1 ZINC001310047400 1071083086 /nfs/dbraw/zinc/08/30/86/1071083086.db2.gz ZMQAWSHPROTFDB-UHFFFAOYSA-N 1 0 453.562 3.525 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C[C@H]1C ZINC001313869803 1071410021 /nfs/dbraw/zinc/41/00/21/1071410021.db2.gz RHLOLQPGZUEGAW-QZTJIDSGSA-N 1 0 457.673 3.822 20 10 JHCDRO CC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC[N@@H+]1CCOC ZINC001306437626 1068942603 /nfs/dbraw/zinc/94/26/03/1068942603.db2.gz FGOMDBKLCAQENG-HSZRJFAPSA-N 1 0 486.730 3.625 20 10 JHCDRO CC[NH+](CC)CCOc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC001311313511 1069322305 /nfs/dbraw/zinc/32/23/05/1069322305.db2.gz DYBMMMPDDYFJHB-UHFFFAOYSA-N 1 0 458.578 3.829 20 10 JHCDRO CC(C)[NH+]1CCC(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC001311456971 1069387743 /nfs/dbraw/zinc/38/77/43/1069387743.db2.gz CHHVXBZSRLWOSX-UHFFFAOYSA-N 1 0 456.553 3.852 20 10 JHCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001311613009 1069464445 /nfs/dbraw/zinc/46/44/45/1069464445.db2.gz SMFLAZXFQVQWLV-HSZRJFAPSA-N 1 0 454.590 3.906 20 10 JHCDRO C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001311733992 1069526471 /nfs/dbraw/zinc/52/64/71/1069526471.db2.gz JGTMMMMAMXIZKK-OAQYLSRUSA-N 1 0 452.599 3.558 20 10 JHCDRO COc1ccc(N2CCC(NC(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)cc1 ZINC001311829384 1069567132 /nfs/dbraw/zinc/56/71/32/1069567132.db2.gz YRMSTTVGTFDVQE-UHFFFAOYSA-N 1 0 454.537 3.769 20 10 JHCDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001306780780 1069578237 /nfs/dbraw/zinc/57/82/37/1069578237.db2.gz PKWYFFXDCILPOW-IFMALSPDSA-N 1 0 472.653 3.984 20 10 JHCDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001306788002 1069593164 /nfs/dbraw/zinc/59/31/64/1069593164.db2.gz FXBMLBIKANWYMS-QHCPKHFHSA-N 1 0 478.689 3.731 20 10 JHCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCc4cc(Cl)cc(Cl)c4C3)CC2)cc1 ZINC001307524467 1070033525 /nfs/dbraw/zinc/03/35/25/1070033525.db2.gz VATZCPSAXLATOE-HXUWFJFHSA-N 1 0 450.410 3.543 20 10 JHCDRO C[C@H]([NH2+]CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)c1ccccc1O ZINC001308010654 1070279011 /nfs/dbraw/zinc/27/90/11/1070279011.db2.gz VQTRZXMDAVOGHV-BXUJETTOSA-N 1 0 459.955 3.549 20 10 JHCDRO CCCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313487790 1070504903 /nfs/dbraw/zinc/50/49/03/1070504903.db2.gz OAIOEMIEULPZDT-SFTDATJTSA-N 1 0 477.657 3.798 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CC=CCC1 ZINC001314750363 1071001748 /nfs/dbraw/zinc/00/17/48/1071001748.db2.gz IQBAPTBSWJUYPT-UHFFFAOYSA-N 1 0 457.376 3.640 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC001313874549 1071429624 /nfs/dbraw/zinc/42/96/24/1071429624.db2.gz IXZZXOMAFQFMBP-UXHICEINSA-N 1 0 495.697 3.611 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@](C)(c4cccc(F)c4)C3)CC2)cc1 ZINC001311556332 1069436769 /nfs/dbraw/zinc/43/67/69/1069436769.db2.gz OPVDYLDIRYRDDQ-SANMLTNESA-N 1 0 454.590 3.720 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)cc2F)C[C@@H](C)O1 ZINC001311613604 1069465663 /nfs/dbraw/zinc/46/56/63/1069465663.db2.gz WPVFMYVLTOMENU-VIZSFHNOSA-N 1 0 454.590 3.855 20 10 JHCDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001306780784 1069578372 /nfs/dbraw/zinc/57/83/72/1069578372.db2.gz PKWYFFXDCILPOW-RBBKRZOGSA-N 1 0 472.653 3.984 20 10 JHCDRO C[C@@H](NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC001311852829 1069580444 /nfs/dbraw/zinc/58/04/44/1069580444.db2.gz XHYKDUBWERHMRW-HXUWFJFHSA-N 1 0 454.615 3.803 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(COC3CCOCC3)cc2)[NH+](C)C)cc1 ZINC001312350810 1069878993 /nfs/dbraw/zinc/87/89/93/1069878993.db2.gz NBMPEZIFGVVJPO-RUZDIDTESA-N 1 0 454.615 3.550 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3cccc(Br)c3)CC1)cc2=O ZINC001307718905 1070144416 /nfs/dbraw/zinc/14/44/16/1070144416.db2.gz YHLXYOUGLCMFRW-UHFFFAOYSA-N 1 0 459.344 3.754 20 10 JHCDRO COc1cccc(C2([NH2+]CC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CCC2)c1 ZINC001307954263 1070256486 /nfs/dbraw/zinc/25/64/86/1070256486.db2.gz SEGAQKNKZWMNQC-OALUTQOASA-N 1 0 455.574 3.733 20 10 JHCDRO Cn1c2ccccc2c(Br)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001308217433 1070341711 /nfs/dbraw/zinc/34/17/11/1070341711.db2.gz BJFKSOHAMUPSIT-KRWDZBQOSA-N 1 0 455.400 3.932 20 10 JHCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc(OCc4ccc(F)cc4)c3)cc2)CC1 ZINC001308460148 1070378880 /nfs/dbraw/zinc/37/88/80/1070378880.db2.gz RIHJVDMVPVOHKL-UHFFFAOYSA-N 1 0 454.567 3.929 20 10 JHCDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001313656106 1070848609 /nfs/dbraw/zinc/84/86/09/1070848609.db2.gz DWIVDNITKDHMTL-IFMALSPDSA-N 1 0 477.657 3.750 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314753547 1071006206 /nfs/dbraw/zinc/00/62/06/1071006206.db2.gz QXXUBFNPSQCXIU-IBGZPJMESA-N 1 0 496.662 3.976 20 10 JHCDRO CCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306179219 1068569031 /nfs/dbraw/zinc/56/90/31/1068569031.db2.gz SEZOQMPLUHCRQR-NRFANRHFSA-N 1 0 454.644 3.930 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@H](c4ccc(F)cc4)C[C@@H]3C)CC2)cc1 ZINC001311553562 1069436392 /nfs/dbraw/zinc/43/63/92/1069436392.db2.gz DIECFEWFENUHAU-RBBKRZOGSA-N 1 0 454.590 3.934 20 10 JHCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC001311690399 1069504791 /nfs/dbraw/zinc/50/47/91/1069504791.db2.gz MUPQAZFYERXARL-OAQYLSRUSA-N 1 0 450.505 3.644 20 10 JHCDRO Cc1ccc([C@@H](CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[NH+]2CCCC2)cc1 ZINC001311765906 1069538717 /nfs/dbraw/zinc/53/87/17/1069538717.db2.gz JQGYIIHIMJZEEC-HSZRJFAPSA-N 1 0 458.553 3.746 20 10 JHCDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)C1 ZINC001306779710 1069575933 /nfs/dbraw/zinc/57/59/33/1069575933.db2.gz IZHDOWTXNGKTLE-QFIPXVFZSA-N 1 0 477.657 3.609 20 10 JHCDRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1 ZINC001307567638 1070055943 /nfs/dbraw/zinc/05/59/43/1070055943.db2.gz SVTFUMXWNYDCBA-FYYLOGMGSA-N 1 0 454.567 3.754 20 10 JHCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](CC(F)(F)F)c3ccccc3C)CC2)cc1 ZINC001307726517 1070151217 /nfs/dbraw/zinc/15/12/17/1070151217.db2.gz FEQXBFUPQXSPSP-NFBKMPQASA-N 1 0 451.533 3.770 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[NH+](C)C)cc1 ZINC001313012899 1070220937 /nfs/dbraw/zinc/22/09/37/1070220937.db2.gz QFJPYQFRELSBEB-NHCUHLMSSA-N 1 0 459.635 3.587 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)[NH+](C)C)cc1 ZINC001313112771 1070254727 /nfs/dbraw/zinc/25/47/27/1070254727.db2.gz DZLZCVGBPRAQPS-VXSCBNMQSA-N 1 0 457.416 3.755 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(c4ccc(Br)cc4)CC3)cc2)CC1 ZINC001313212682 1070294201 /nfs/dbraw/zinc/29/42/01/1070294201.db2.gz UDLIIIFSCOOZOU-UHFFFAOYSA-N 1 0 457.416 3.732 20 10 JHCDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001308258367 1070346968 /nfs/dbraw/zinc/34/69/68/1070346968.db2.gz BJHHLTZVQRQFDC-GOSISDBHSA-N 1 0 457.416 3.907 20 10 JHCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Br)c4cccnc34)cc2)CC1 ZINC001308523710 1070385034 /nfs/dbraw/zinc/38/50/34/1070385034.db2.gz BDJDQGQIWFOUTO-UHFFFAOYSA-N 1 0 453.384 3.989 20 10 JHCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)ccc1OCC(F)(F)F ZINC001308524787 1070385899 /nfs/dbraw/zinc/38/58/99/1070385899.db2.gz PMCQOWOZRVVAQN-UHFFFAOYSA-N 1 0 451.489 3.628 20 10 JHCDRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC001308560903 1070389459 /nfs/dbraw/zinc/38/94/59/1070389459.db2.gz WSKNNBNUPDWSFJ-IBGZPJMESA-N 1 0 457.571 3.751 20 10 JHCDRO CN(Cc1ccc(N2CCOCC2)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314735849 1070961267 /nfs/dbraw/zinc/96/12/67/1070961267.db2.gz CBUDGVAGHWJAMC-SANMLTNESA-N 1 0 486.730 3.777 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)cc2)CC1 ZINC001310268792 1071252580 /nfs/dbraw/zinc/25/25/80/1071252580.db2.gz FDMOLHICIMMYFX-UHFFFAOYSA-N 1 0 450.612 3.938 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C[C@@H]1C ZINC001313869806 1071410209 /nfs/dbraw/zinc/41/02/09/1071410209.db2.gz RHLOLQPGZUEGAW-ROUUACIJSA-N 1 0 457.673 3.822 20 10 JHCDRO CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)Cc2ccccc2O)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313916132 1071551924 /nfs/dbraw/zinc/55/19/24/1071551924.db2.gz WFMMKWUBILPOJR-SQJMNOBHSA-N 1 0 457.619 3.535 20 10 JHCDRO CC[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC[NH+](C)C)C[C@H](C)O1 ZINC001306401007 1068860576 /nfs/dbraw/zinc/86/05/76/1068860576.db2.gz ZTEYNROLCOVTKN-URXFXBBRSA-N 1 0 480.657 3.935 20 10 JHCDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001311456845 1069387796 /nfs/dbraw/zinc/38/77/96/1069387796.db2.gz AHFZUIRPAHBBKI-SFHVURJKSA-N 1 0 454.537 3.748 20 10 JHCDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)C1 ZINC001306779709 1069576074 /nfs/dbraw/zinc/57/60/74/1069576074.db2.gz IZHDOWTXNGKTLE-JOCHJYFZSA-N 1 0 477.657 3.609 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(c4ccccc4Cl)CCOCC3)cc2)CC1 ZINC001311872303 1069589616 /nfs/dbraw/zinc/58/96/16/1069589616.db2.gz BKEHFEMJSOZQIS-UHFFFAOYSA-N 1 0 457.018 3.639 20 10 JHCDRO CC1CCN(c2ccc(CNC(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001311911817 1069609625 /nfs/dbraw/zinc/60/96/25/1069609625.db2.gz PRYODCAJSHMYJL-UHFFFAOYSA-N 1 0 450.627 3.879 20 10 JHCDRO CC[C@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC001312311645 1069855380 /nfs/dbraw/zinc/85/53/80/1069855380.db2.gz WQDIMFINCKLQSP-FQEVSTJZSA-N 1 0 451.615 3.790 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1c3cccc(Br)c3CC1(C)C)cc2=O ZINC001307800006 1070188071 /nfs/dbraw/zinc/18/80/71/1070188071.db2.gz PHLGKDYXQFTOIO-GOSISDBHSA-N 1 0 459.344 3.787 20 10 JHCDRO CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314392214 1070248077 /nfs/dbraw/zinc/24/80/77/1070248077.db2.gz VNDXLYKIIKTRLF-FQEVSTJZSA-N 1 0 488.633 3.653 20 10 JHCDRO Cc1cc(CCNC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)n1-c1ccccc1 ZINC001313100658 1070250990 /nfs/dbraw/zinc/25/09/90/1070250990.db2.gz MRZKZIXQTTWYRB-VXKWHMMOSA-N 1 0 451.659 3.837 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)[NH+](C)C)cc1 ZINC001313152223 1070271297 /nfs/dbraw/zinc/27/12/97/1070271297.db2.gz RMXFPIAQTRUXPE-DXBBTUNJSA-N 1 0 457.416 3.755 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)[NH+](C)C)cc1 ZINC001313394312 1070347067 /nfs/dbraw/zinc/34/70/67/1070347067.db2.gz NASRTVQQDKTBEX-RCZVLFRGSA-N 1 0 458.610 3.669 20 10 JHCDRO COc1cc(C)c(C[NH2+]Cc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)c(O)c1 ZINC001308887342 1070455067 /nfs/dbraw/zinc/45/50/67/1070455067.db2.gz QEGMEEBDHVAOJB-UHFFFAOYSA-N 1 0 453.543 3.604 20 10 JHCDRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001309318233 1070694907 /nfs/dbraw/zinc/69/49/07/1070694907.db2.gz JLCHJZLASBCERY-UHFFFAOYSA-N 1 0 451.995 3.631 20 10 JHCDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001313713596 1071010742 /nfs/dbraw/zinc/01/07/42/1071010742.db2.gz RYPQQTBMJUUXFX-JOCHJYFZSA-N 1 0 472.653 3.669 20 10 JHCDRO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(F)cc1Br ZINC001309933354 1071021116 /nfs/dbraw/zinc/02/11/16/1071021116.db2.gz BKBKLSKQRYYKQO-GOSISDBHSA-N 1 0 458.397 3.544 20 10 JHCDRO CCc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001306072124 1068506530 /nfs/dbraw/zinc/50/65/30/1068506530.db2.gz GKHRZGKKZSGJEA-UHFFFAOYSA-N 1 0 468.690 3.920 20 10 JHCDRO CCn1ncc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1C(F)(F)F ZINC001310655877 1069090358 /nfs/dbraw/zinc/09/03/58/1069090358.db2.gz PAXUMEXEQAOVQQ-UHFFFAOYSA-N 1 0 450.509 3.776 20 10 JHCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC001311976309 1069646296 /nfs/dbraw/zinc/64/62/96/1069646296.db2.gz NOCQENSHOMTFNU-VQTJNVASSA-N 1 0 450.071 3.649 20 10 JHCDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)cc2)CC1 ZINC001307052020 1069806943 /nfs/dbraw/zinc/80/69/43/1069806943.db2.gz QCVYFYUFGZLJBS-UHFFFAOYSA-N 1 0 462.646 3.940 20 10 JHCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001307656120 1070105382 /nfs/dbraw/zinc/10/53/82/1070105382.db2.gz RUQCATYNOZIVOZ-KURKYZTESA-N 1 0 459.610 3.666 20 10 JHCDRO C[C@H]1CN(c2ccc(CNC(=O)C[NH2+]C(C)(C)COCc3ccccc3)cc2F)C[C@H](C)O1 ZINC001307718983 1070144172 /nfs/dbraw/zinc/14/41/72/1070144172.db2.gz FTCINVIVSNFKQU-PMACEKPBSA-N 1 0 457.590 3.641 20 10 JHCDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001312833747 1070146465 /nfs/dbraw/zinc/14/64/65/1070146465.db2.gz MRHGKJJFVJTEKT-QHCPKHFHSA-N 1 0 458.553 3.780 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2F)C[C@H](C)O1 ZINC001307999576 1070274813 /nfs/dbraw/zinc/27/48/13/1070274813.db2.gz KKZSKBCLKCWOPK-RJEOUOSRSA-N 1 0 475.992 3.829 20 10 JHCDRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC001308560904 1070388984 /nfs/dbraw/zinc/38/89/84/1070388984.db2.gz WSKNNBNUPDWSFJ-LJQANCHMSA-N 1 0 457.571 3.751 20 10 JHCDRO C[C@]12CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]1C2(Br)Br ZINC001308856969 1070449279 /nfs/dbraw/zinc/44/92/79/1070449279.db2.gz FQXSFEJLQNGZTR-MSOLQXFVSA-N 1 0 458.238 3.976 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(N3CC[N@H+](CC)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001313680153 1070937648 /nfs/dbraw/zinc/93/76/48/1070937648.db2.gz WIVFCZXISOMWKE-AJTFRIOCSA-N 1 0 484.689 3.744 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001314753767 1071006834 /nfs/dbraw/zinc/00/68/34/1071006834.db2.gz YSQIOHBPUTXBSW-OAQYLSRUSA-N 1 0 484.645 3.830 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001314753766 1071006997 /nfs/dbraw/zinc/00/69/97/1071006997.db2.gz YSQIOHBPUTXBSW-NRFANRHFSA-N 1 0 484.645 3.830 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2F)CC1 ZINC001310136510 1071145608 /nfs/dbraw/zinc/14/56/08/1071145608.db2.gz IJWMBAKCQHSSGI-QFIPXVFZSA-N 1 0 456.562 3.847 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001313861943 1071374905 /nfs/dbraw/zinc/37/49/05/1071374905.db2.gz OHECUIUGXMVOPN-OALUTQOASA-N 1 0 499.610 3.653 20 10 JHCDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001311456841 1069387145 /nfs/dbraw/zinc/38/71/45/1069387145.db2.gz AHFZUIRPAHBBKI-GOSISDBHSA-N 1 0 454.537 3.748 20 10 JHCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)CC2)cc1 ZINC001311553563 1069436179 /nfs/dbraw/zinc/43/61/79/1069436179.db2.gz DIECFEWFENUHAU-UNMCSNQZSA-N 1 0 454.590 3.934 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)cc2F)C[C@H](C)O1 ZINC001311613600 1069465633 /nfs/dbraw/zinc/46/56/33/1069465633.db2.gz WPVFMYVLTOMENU-MZKRTTBSSA-N 1 0 454.590 3.855 20 10 JHCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001311690171 1069504846 /nfs/dbraw/zinc/50/48/46/1069504846.db2.gz LGLSWQYSBAGFPV-UHFFFAOYSA-N 1 0 457.018 3.888 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cc(F)ccc3OC(F)F)cc2F)CC1 ZINC001311892331 1069601007 /nfs/dbraw/zinc/60/10/07/1069601007.db2.gz HVOAYXPCBRXLON-UHFFFAOYSA-N 1 0 454.468 3.708 20 10 JHCDRO COC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC001311946292 1069627057 /nfs/dbraw/zinc/62/70/57/1069627057.db2.gz BEWRLJQMGYNXNA-NRFANRHFSA-N 1 0 450.505 3.644 20 10 JHCDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC001311976307 1069646401 /nfs/dbraw/zinc/64/64/01/1069646401.db2.gz NOCQENSHOMTFNU-PMACEKPBSA-N 1 0 450.071 3.649 20 10 JHCDRO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001307642944 1070097620 /nfs/dbraw/zinc/09/76/20/1070097620.db2.gz RBQKKGWQJPRJHU-NFBKMPQASA-N 1 0 459.631 3.980 20 10 JHCDRO CC[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001312834264 1070146522 /nfs/dbraw/zinc/14/65/22/1070146522.db2.gz UWHJVJGVHOTVOL-NRFANRHFSA-N 1 0 458.553 3.607 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1)cc2=O ZINC001307765889 1070174377 /nfs/dbraw/zinc/17/43/77/1070174377.db2.gz RPONNCAFBLVYIM-QGZVFWFLSA-N 1 0 453.326 3.786 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1)cc2=O ZINC001307765888 1070174536 /nfs/dbraw/zinc/17/45/36/1070174536.db2.gz RPONNCAFBLVYIM-KRWDZBQOSA-N 1 0 453.326 3.786 20 10 JHCDRO Brc1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)ccc1N1CCCCC1 ZINC001308227994 1070343496 /nfs/dbraw/zinc/34/34/96/1070343496.db2.gz YEQWONGNAZTPPT-NRFANRHFSA-N 1 0 454.478 3.737 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)[NH+](C)C)cc1 ZINC001313394313 1070346869 /nfs/dbraw/zinc/34/68/69/1070346869.db2.gz NASRTVQQDKTBEX-RDGATRHJSA-N 1 0 458.610 3.669 20 10 JHCDRO COC(=O)c1c(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)c2cc(F)ccc2n1C ZINC001308620050 1070403152 /nfs/dbraw/zinc/40/31/52/1070403152.db2.gz RHJFMOCGLFMAGY-LJQANCHMSA-N 1 0 453.558 3.827 20 10 JHCDRO CC(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC001309319168 1070695404 /nfs/dbraw/zinc/69/54/04/1070695404.db2.gz QTIRLDDZDVLXPV-UHFFFAOYSA-N 1 0 455.624 3.536 20 10 JHCDRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001313667289 1070888735 /nfs/dbraw/zinc/88/87/35/1070888735.db2.gz KPCLVCUQSVEUJA-HSZRJFAPSA-N 1 0 494.688 3.595 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC001313867971 1071401691 /nfs/dbraw/zinc/40/16/91/1071401691.db2.gz LJPZLEGXPHJEOU-VQTJNVASSA-N 1 0 472.653 3.810 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C[C@@H]1C ZINC001313869807 1071410329 /nfs/dbraw/zinc/41/03/29/1071410329.db2.gz RHLOLQPGZUEGAW-ZWKOTPCHSA-N 1 0 457.673 3.822 20 10 JHCDRO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306426408 1068921516 /nfs/dbraw/zinc/92/15/16/1068921516.db2.gz WSKCAWOOVNGHPA-QHCPKHFHSA-N 1 0 477.657 3.618 20 10 JHCDRO CC[C@@]1(C)Oc2ccc(NC(=O)NCCC[NH+]3CCN(c4ccc(OC)cc4)CC3)cc2O1 ZINC001310562707 1069018585 /nfs/dbraw/zinc/01/85/85/1069018585.db2.gz YKCKORGVODWDJU-VWLOTQADSA-N 1 0 454.571 3.926 20 10 JHCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cnn(Cc4cc(F)ccc4Cl)c3)cc2)CC1 ZINC001310912784 1069219871 /nfs/dbraw/zinc/21/98/71/1069219871.db2.gz VTKOJNUPLUVYPO-UHFFFAOYSA-N 1 0 456.953 3.797 20 10 JHCDRO CCC[N@H+](CC)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)NC)CC1 ZINC001306798210 1069603348 /nfs/dbraw/zinc/60/33/48/1069603348.db2.gz PTLJXGAJNSCBNW-UHFFFAOYSA-N 1 0 492.672 3.546 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)c3nc(C4CCCCC4)no3)cc2F)CC1 ZINC001311892080 1069600463 /nfs/dbraw/zinc/60/04/63/1069600463.db2.gz FJCLTTBRNCJMIE-QGZVFWFLSA-N 1 0 458.582 3.959 20 10 JHCDRO CCN(Cc1ccc(OC)cc1OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001311893463 1069601196 /nfs/dbraw/zinc/60/11/96/1069601196.db2.gz YWQLBSCCJNNIKZ-UHFFFAOYSA-N 1 0 458.578 3.717 20 10 JHCDRO COC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC001311946293 1069627052 /nfs/dbraw/zinc/62/70/52/1069627052.db2.gz BEWRLJQMGYNXNA-OAQYLSRUSA-N 1 0 450.505 3.644 20 10 JHCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+]C(C)(C)COCc3ccccc3)cc2F)C[C@H](C)O1 ZINC001307718982 1070144257 /nfs/dbraw/zinc/14/42/57/1070144257.db2.gz FTCINVIVSNFKQU-BGYRXZFFSA-N 1 0 457.590 3.641 20 10 JHCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c3ccccc3C)CC2)cc1 ZINC001307726518 1070151243 /nfs/dbraw/zinc/15/12/43/1070151243.db2.gz FEQXBFUPQXSPSP-NZQKXSOJSA-N 1 0 451.533 3.770 20 10 JHCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC001307729353 1070153101 /nfs/dbraw/zinc/15/31/01/1070153101.db2.gz LBGSERKABCOGOQ-UHFFFAOYSA-N 1 0 451.489 3.563 20 10 JHCDRO O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001313065112 1070239149 /nfs/dbraw/zinc/23/91/49/1070239149.db2.gz QZBOGFNBCPUWCK-UHFFFAOYSA-N 1 0 458.606 3.826 20 10 JHCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)NC(=O)OC(C)(C)C)cc1 ZINC001308353275 1070360966 /nfs/dbraw/zinc/36/09/66/1070360966.db2.gz NIGXQSKBPWVNAM-JOCHJYFZSA-N 1 0 456.587 3.806 20 10 JHCDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1c(O)cccc1Br ZINC001308405833 1070371741 /nfs/dbraw/zinc/37/17/41/1070371741.db2.gz WVJKGDKJXOSOPD-LBPRGKRZSA-N 1 0 459.178 3.867 20 10 JHCDRO Fc1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc(F)c1N1CCOCC1 ZINC001308431756 1070374933 /nfs/dbraw/zinc/37/49/33/1070374933.db2.gz VHNZZSRVVLSIBO-UHFFFAOYSA-N 1 0 455.299 3.625 20 10 JHCDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)cc1 ZINC001308562056 1070389911 /nfs/dbraw/zinc/38/99/11/1070389911.db2.gz AOUSVXGNHHJQKB-MRXNPFEDSA-N 1 0 453.402 3.654 20 10 JHCDRO CCCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313487785 1070504853 /nfs/dbraw/zinc/50/48/53/1070504853.db2.gz OAIOEMIEULPZDT-LEWJYISDSA-N 1 0 477.657 3.798 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(-c2ccc(Br)s2)n1CCOCC[NH+](C)C ZINC001314669497 1070808632 /nfs/dbraw/zinc/80/86/32/1070808632.db2.gz ADYGFVVDIBGHFD-UHFFFAOYSA-N 1 0 480.432 3.689 20 10 JHCDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001313711185 1071005751 /nfs/dbraw/zinc/00/57/51/1071005751.db2.gz FFESQHBHSZIOIN-OAQYLSRUSA-N 1 0 465.621 3.685 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cc2F)CC1 ZINC001310011055 1071056401 /nfs/dbraw/zinc/05/64/01/1071056401.db2.gz YNXMRRKPWXWMBI-UHFFFAOYSA-N 1 0 453.562 3.525 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)[NH+](C)C)cc1 ZINC001310190899 1071196048 /nfs/dbraw/zinc/19/60/48/1071196048.db2.gz PKEGRFAKIPGZLZ-XMMPIXPASA-N 1 0 451.615 3.732 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)C[C@H]1C ZINC001313864813 1071389567 /nfs/dbraw/zinc/38/95/67/1071389567.db2.gz CGHOOFPGUOZGEO-SQNIBIBYSA-N 1 0 450.678 3.730 20 10 JHCDRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001314950319 1071416976 /nfs/dbraw/zinc/41/69/76/1071416976.db2.gz XBBOWAZYLMYIQM-AZUAARDMSA-N 1 0 477.657 3.654 20 10 JHCDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001311355796 1069340057 /nfs/dbraw/zinc/34/00/57/1069340057.db2.gz JUAMHIQYDISPAZ-UHFFFAOYSA-N 1 0 458.578 3.587 20 10 JHCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC001311690398 1069504890 /nfs/dbraw/zinc/50/48/90/1069504890.db2.gz MUPQAZFYERXARL-NRFANRHFSA-N 1 0 450.505 3.644 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCc3nc4c(s3)CCCC4)cc2F)CC1 ZINC001311861425 1069586063 /nfs/dbraw/zinc/58/60/63/1069586063.db2.gz ZWNYXRXLCAIFKW-UHFFFAOYSA-N 1 0 459.635 3.735 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3cc(OC)c(OC)cc3C)cc2F)CC1 ZINC001311896304 1069602441 /nfs/dbraw/zinc/60/24/41/1069602441.db2.gz UTQAAZIFSQHONW-UHFFFAOYSA-N 1 0 458.578 3.635 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)cc2=O ZINC001307577264 1070061430 /nfs/dbraw/zinc/06/14/30/1070061430.db2.gz KJGLVFVZOJGQOY-CQSZACIVSA-N 1 0 451.310 3.572 20 10 JHCDRO O=S(=O)(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001308326361 1070356994 /nfs/dbraw/zinc/35/69/94/1070356994.db2.gz GGNNQJMNNSJTFU-UHFFFAOYSA-N 1 0 455.555 3.753 20 10 JHCDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001313710213 1071004297 /nfs/dbraw/zinc/00/42/97/1071004297.db2.gz WIUGGRKWSKQUNI-QFIPXVFZSA-N 1 0 482.652 3.561 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC001313867972 1071401560 /nfs/dbraw/zinc/40/15/60/1071401560.db2.gz LJPZLEGXPHJEOU-WOJBJXKFSA-N 1 0 472.653 3.810 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC001313949441 1071635769 /nfs/dbraw/zinc/63/57/69/1071635769.db2.gz XYRXDPSZUXDISB-RUZDIDTESA-N 1 0 481.733 3.977 20 10 JHCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001311613010 1069464473 /nfs/dbraw/zinc/46/44/73/1069464473.db2.gz SMFLAZXFQVQWLV-QHCPKHFHSA-N 1 0 454.590 3.906 20 10 JHCDRO CCC[N@H+](CC)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001306797997 1069603680 /nfs/dbraw/zinc/60/36/80/1069603680.db2.gz KJPRBULIGGZXGV-QHCPKHFHSA-N 1 0 498.697 3.708 20 10 JHCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC001311976310 1069646377 /nfs/dbraw/zinc/64/63/77/1069646377.db2.gz NOCQENSHOMTFNU-WOJBJXKFSA-N 1 0 450.071 3.649 20 10 JHCDRO CC(C)(C)Oc1cccc(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC001312310735 1069854189 /nfs/dbraw/zinc/85/41/89/1069854189.db2.gz ORMDHOWQOLOAHD-UHFFFAOYSA-N 1 0 451.615 3.790 20 10 JHCDRO COc1cc(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc(OC)c1OC ZINC001307664444 1070110538 /nfs/dbraw/zinc/11/05/38/1070110538.db2.gz IHFAWQOQYJMOKS-UHFFFAOYSA-N 1 0 458.946 3.781 20 10 JHCDRO COc1cccc(C2([NH2+]CC(=O)NCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)CCC2)c1 ZINC001307954262 1070256456 /nfs/dbraw/zinc/25/64/56/1070256456.db2.gz SEGAQKNKZWMNQC-KDURUIRLSA-N 1 0 455.574 3.733 20 10 JHCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001313216004 1070295476 /nfs/dbraw/zinc/29/54/76/1070295476.db2.gz JWBZFMIETBKAFW-UHFFFAOYSA-N 1 0 450.627 3.845 20 10 JHCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn(C)nc2Br)NC(=O)OC(C)(C)C)cc1 ZINC001308352399 1070360832 /nfs/dbraw/zinc/36/08/32/1070360832.db2.gz CTAFFLJNHMPXKO-KRWDZBQOSA-N 1 0 452.397 3.604 20 10 JHCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC001308395187 1070367868 /nfs/dbraw/zinc/36/78/68/1070367868.db2.gz GJVJPTWHKGFJOC-UHFFFAOYSA-N 1 0 456.656 3.924 20 10 JHCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)CC1 ZINC001308524051 1070384721 /nfs/dbraw/zinc/38/47/21/1070384721.db2.gz FJKQXEVJXAOYOT-UHFFFAOYSA-N 1 0 457.500 3.883 20 10 JHCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC001309933591 1071021175 /nfs/dbraw/zinc/02/11/75/1071021175.db2.gz DBWXNXMYDNARMQ-NRFANRHFSA-N 1 0 457.562 3.926 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC001313867968 1071401531 /nfs/dbraw/zinc/40/15/31/1071401531.db2.gz LJPZLEGXPHJEOU-PMACEKPBSA-N 1 0 472.653 3.810 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)cc2F)CC1 ZINC001311893132 1069600996 /nfs/dbraw/zinc/60/09/96/1069600996.db2.gz SHXJBTTUJVIYNN-HXUWFJFHSA-N 1 0 459.997 3.699 20 10 JHCDRO COc1ccc(CN2CCCN(C(=O)C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)CC2)cc1 ZINC001307424564 1069977888 /nfs/dbraw/zinc/97/78/88/1069977888.db2.gz UHIICZRSRNJUPX-UHFFFAOYSA-N 1 0 452.643 3.706 20 10 JHCDRO COc1cccc(C2([NH2+]CC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CCC2)c1 ZINC001307954264 1070256100 /nfs/dbraw/zinc/25/61/00/1070256100.db2.gz SEGAQKNKZWMNQC-RTBURBONSA-N 1 0 455.574 3.733 20 10 JHCDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001313656107 1070848775 /nfs/dbraw/zinc/84/87/75/1070848775.db2.gz DWIVDNITKDHMTL-IRLDBZIGSA-N 1 0 477.657 3.750 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)C[C@@H]1C ZINC001313864812 1071388969 /nfs/dbraw/zinc/38/89/69/1071388969.db2.gz CGHOOFPGUOZGEO-OKZBNKHCSA-N 1 0 450.678 3.730 20 10 JHCDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001314970284 1071456552 /nfs/dbraw/zinc/45/65/52/1071456552.db2.gz WELJXAQGZLGWNV-MUUNZHRXSA-N 1 0 491.684 3.903 20 10 JHCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC001311677970 1069500781 /nfs/dbraw/zinc/50/07/81/1069500781.db2.gz CYCSDYSNMKEXNL-KRWDZBQOSA-N 1 0 450.505 3.940 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)c3ncco3)cc2F)CC1 ZINC001311893488 1069600924 /nfs/dbraw/zinc/60/09/24/1069600924.db2.gz ZZJFVNMBIVOSFG-JOCHJYFZSA-N 1 0 451.546 3.739 20 10 JHCDRO C[N@@H+]1C[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H](c2ccccc2)C1 ZINC001312137928 1069742670 /nfs/dbraw/zinc/74/26/70/1069742670.db2.gz KYHWFLGKRCRDAU-QTEQDKRBSA-N 1 0 458.553 3.901 20 10 JHCDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001312833486 1070146338 /nfs/dbraw/zinc/14/63/38/1070146338.db2.gz JYDLMUMKCQQFSN-UHFFFAOYSA-N 1 0 452.590 3.843 20 10 JHCDRO C[NH+](C)C[C@@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC001312833127 1070145511 /nfs/dbraw/zinc/14/55/11/1070145511.db2.gz FNYZMOJYQFGSPR-HXUWFJFHSA-N 1 0 452.933 3.557 20 10 JHCDRO CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001313213000 1070294965 /nfs/dbraw/zinc/29/49/65/1070294965.db2.gz WWNLTLQOGMKRHE-QHCPKHFHSA-N 1 0 452.599 3.675 20 10 JHCDRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001308557977 1070388654 /nfs/dbraw/zinc/38/86/54/1070388654.db2.gz WIKQPWLWSRUASS-FXAWDEMLSA-N 1 0 468.436 3.757 20 10 JHCDRO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C[N@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001308940729 1070462849 /nfs/dbraw/zinc/46/28/49/1070462849.db2.gz GVXJABVNLRCLBS-ULYRPOKDSA-N 1 0 483.403 3.741 20 10 JHCDRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccco1 ZINC001313663703 1070873304 /nfs/dbraw/zinc/87/33/04/1070873304.db2.gz GSAVQAJJQMQWGB-OAQYLSRUSA-N 1 0 456.566 3.737 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC001313874548 1071429541 /nfs/dbraw/zinc/42/95/41/1071429541.db2.gz IXZZXOMAFQFMBP-PMACEKPBSA-N 1 0 495.697 3.611 20 10 JHCDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCS(=O)(=O)CC ZINC001313894187 1071492522 /nfs/dbraw/zinc/49/25/22/1071492522.db2.gz UELWJLPTEFLPGI-HSZRJFAPSA-N 1 0 498.697 3.708 20 10 JHCDRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306620713 1069307309 /nfs/dbraw/zinc/30/73/09/1069307309.db2.gz IRXUYLTXMSFUCM-VWLOTQADSA-N 1 0 477.657 3.700 20 10 JHCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001311612477 1069464053 /nfs/dbraw/zinc/46/40/53/1069464053.db2.gz GZNAWJSMBFPVME-JOCHJYFZSA-N 1 0 454.590 3.593 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)cc2F)CC1 ZINC001311893130 1069600967 /nfs/dbraw/zinc/60/09/67/1069600967.db2.gz SHXJBTTUJVIYNN-FQEVSTJZSA-N 1 0 459.997 3.699 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CSc4ccccc4O3)cc2F)CC1 ZINC001311893149 1069601129 /nfs/dbraw/zinc/60/11/29/1069601129.db2.gz SOUKYMWRUITSBM-IBGZPJMESA-N 1 0 458.603 3.710 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)c3ncco3)cc2F)CC1 ZINC001311893489 1069601208 /nfs/dbraw/zinc/60/12/08/1069601208.db2.gz ZZJFVNMBIVOSFG-QFIPXVFZSA-N 1 0 451.546 3.739 20 10 JHCDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC001312309083 1069853513 /nfs/dbraw/zinc/85/35/13/1069853513.db2.gz CFSXBUWAQMPOQB-YADHBBJMSA-N 1 0 456.631 3.528 20 10 JHCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1c3cccc(Br)c3CC1(C)C)cc2=O ZINC001307800007 1070187715 /nfs/dbraw/zinc/18/77/15/1070187715.db2.gz PHLGKDYXQFTOIO-SFHVURJKSA-N 1 0 459.344 3.787 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)[NH+](C)C)cc1 ZINC001313012897 1070220963 /nfs/dbraw/zinc/22/09/63/1070220963.db2.gz QFJPYQFRELSBEB-LEWJYISDSA-N 1 0 459.635 3.587 20 10 JHCDRO CCOCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314392215 1070247921 /nfs/dbraw/zinc/24/79/21/1070247921.db2.gz VNDXLYKIIKTRLF-HXUWFJFHSA-N 1 0 488.633 3.653 20 10 JHCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308440923 1070376218 /nfs/dbraw/zinc/37/62/18/1070376218.db2.gz HQCUMWRPTNZFJJ-SIKLNZKXSA-N 1 0 456.635 3.945 20 10 JHCDRO CN1CCN(c2ccc(C[NH2+]CC3(c4ccccc4)CC(O)(C(F)(F)F)C3)cc2F)CC1 ZINC001308543856 1070387720 /nfs/dbraw/zinc/38/77/20/1070387720.db2.gz NQJPZTAPQJEYTM-UHFFFAOYSA-N 1 0 451.508 3.692 20 10 JHCDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)cc1 ZINC001308562033 1070388919 /nfs/dbraw/zinc/38/89/19/1070388919.db2.gz AOUSVXGNHHJQKB-INIZCTEOSA-N 1 0 453.402 3.654 20 10 JHCDRO COc1ccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001308907557 1070457517 /nfs/dbraw/zinc/45/75/17/1070457517.db2.gz PEMMPBJVULCWEN-RBUKOAKNSA-N 1 0 473.526 3.810 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001314753711 1071006735 /nfs/dbraw/zinc/00/67/35/1071006735.db2.gz WRWCRFSWZKQDJJ-IFMALSPDSA-N 1 0 471.646 3.650 20 10 JHCDRO CNC(=O)c1ccc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1Cl ZINC001310174622 1071179995 /nfs/dbraw/zinc/17/99/95/1071179995.db2.gz QKJJEAXZXYBWNI-UHFFFAOYSA-N 1 0 455.990 3.553 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)C[C@@H]1C ZINC001313864810 1071386537 /nfs/dbraw/zinc/38/65/37/1071386537.db2.gz CGHOOFPGUOZGEO-BZSNNMDCSA-N 1 0 450.678 3.730 20 10 JHCDRO CC(C)n1nnnc1-c1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC001310468784 1071410191 /nfs/dbraw/zinc/41/01/91/1071410191.db2.gz MBJWANBMICHCFS-OAQYLSRUSA-N 1 0 454.554 3.551 20 10 JHCDRO CC(C)n1nnnc1-c1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC001310468783 1071410249 /nfs/dbraw/zinc/41/02/49/1071410249.db2.gz MBJWANBMICHCFS-NRFANRHFSA-N 1 0 454.554 3.551 20 10 JHCDRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC[N@@H+]1CCOC ZINC001306623318 1069314759 /nfs/dbraw/zinc/31/47/59/1069314759.db2.gz BUZCGHAVLUPPGF-LOSJGSFVSA-N 1 0 484.689 3.880 20 10 JHCDRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001306685361 1069420881 /nfs/dbraw/zinc/42/08/81/1069420881.db2.gz BPHXVVWIWTYUNR-QHCPKHFHSA-N 1 0 474.625 3.726 20 10 JHCDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307585505 1070065167 /nfs/dbraw/zinc/06/51/67/1070065167.db2.gz HZYKFTRRZQIVMZ-UHFFFAOYSA-N 1 0 455.558 3.901 20 10 JHCDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001313064154 1070238286 /nfs/dbraw/zinc/23/82/86/1070238286.db2.gz IPASPEJONHZQRE-BHDDXSALSA-N 1 0 450.627 3.841 20 10 JHCDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001313064156 1070238415 /nfs/dbraw/zinc/23/84/15/1070238415.db2.gz IPASPEJONHZQRE-FDFHNCONSA-N 1 0 450.627 3.841 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)[NH+](C)C)cc1 ZINC001313394314 1070346822 /nfs/dbraw/zinc/34/68/22/1070346822.db2.gz NASRTVQQDKTBEX-WIOPSUGQSA-N 1 0 458.610 3.669 20 10 JHCDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001313710212 1071004279 /nfs/dbraw/zinc/00/42/79/1071004279.db2.gz WIUGGRKWSKQUNI-JOCHJYFZSA-N 1 0 482.652 3.561 20 10 JHCDRO Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCSc2nccs2)cn1 ZINC001314903583 1071341444 /nfs/dbraw/zinc/34/14/44/1071341444.db2.gz BLILAOPCRUJXTC-UHFFFAOYSA-N 1 0 474.704 3.876 20 10 JHCDRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C[C@H]1C ZINC001313869800 1071410054 /nfs/dbraw/zinc/41/00/54/1071410054.db2.gz RHLOLQPGZUEGAW-MSOLQXFVSA-N 1 0 457.673 3.822 20 10 JHCDRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1([NH+](C)C)CCC1 ZINC001314947528 1071407237 /nfs/dbraw/zinc/40/72/37/1071407237.db2.gz AUQOPUASENIOFM-IBGZPJMESA-N 1 0 477.657 3.655 20 10 JHCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC001311677971 1069500807 /nfs/dbraw/zinc/50/08/07/1069500807.db2.gz CYCSDYSNMKEXNL-QGZVFWFLSA-N 1 0 450.505 3.940 20 10 JHCDRO C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001311733991 1069526567 /nfs/dbraw/zinc/52/65/67/1069526567.db2.gz JGTMMMMAMXIZKK-NRFANRHFSA-N 1 0 452.599 3.558 20 10 JHCDRO CC[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC001312311649 1069855443 /nfs/dbraw/zinc/85/54/43/1069855443.db2.gz WQDIMFINCKLQSP-HXUWFJFHSA-N 1 0 451.615 3.790 20 10 JHCDRO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C2CC2)cc1 ZINC001307614129 1070082446 /nfs/dbraw/zinc/08/24/46/1070082446.db2.gz VZQNOQWNRSLOJP-QSAFDGGLSA-N 1 0 455.574 3.805 20 10 JHCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001313064155 1070238529 /nfs/dbraw/zinc/23/85/29/1070238529.db2.gz IPASPEJONHZQRE-BHIFYINESA-N 1 0 450.627 3.841 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)[NH+](C)C)cc1 ZINC001313112770 1070254658 /nfs/dbraw/zinc/25/46/58/1070254658.db2.gz DZLZCVGBPRAQPS-RYFAJOAYSA-N 1 0 457.416 3.755 20 10 JHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC001308244221 1070344812 /nfs/dbraw/zinc/34/48/12/1070344812.db2.gz JUQQLQKMXPDAEJ-MRXNPFEDSA-N 1 0 450.320 3.621 20 10 JHCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC001308244220 1070344878 /nfs/dbraw/zinc/34/48/78/1070344878.db2.gz JUQQLQKMXPDAEJ-INIZCTEOSA-N 1 0 450.320 3.621 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNCc3c(Br)cccc3[N+](=O)[O-])cc2F)CC1 ZINC001308252051 1070346050 /nfs/dbraw/zinc/34/60/50/1070346050.db2.gz UAKDKSGTTMTHSK-UHFFFAOYSA-N 1 0 451.340 3.928 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)[NH+](C)C)cc1 ZINC001313394747 1070347145 /nfs/dbraw/zinc/34/71/45/1070347145.db2.gz VDVWZXKIJVXKSS-QFIPXVFZSA-N 1 0 454.619 3.670 20 10 JHCDRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccco1 ZINC001313663702 1070873857 /nfs/dbraw/zinc/87/38/57/1070873857.db2.gz GSAVQAJJQMQWGB-NRFANRHFSA-N 1 0 456.566 3.737 20 10 JHCDRO CN(Cc1ccc(N2CCCC2)cc1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001314738415 1070969429 /nfs/dbraw/zinc/96/94/29/1070969429.db2.gz ZGQCICTXLYTPBN-UHFFFAOYSA-N 1 0 454.663 3.659 20 10 JHCDRO CN(Cc1ccccc1O)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314751688 1071004338 /nfs/dbraw/zinc/00/43/38/1071004338.db2.gz YCBCTIBZKMHNNK-NRFANRHFSA-N 1 0 491.459 3.815 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2F)CC1 ZINC001310136509 1071144790 /nfs/dbraw/zinc/14/47/90/1071144790.db2.gz IJWMBAKCQHSSGI-JOCHJYFZSA-N 1 0 456.562 3.847 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(C)n(-c4cccc(F)c4)n3)cc2F)CC1 ZINC001310478437 1071420096 /nfs/dbraw/zinc/42/00/96/1071420096.db2.gz LJWVOXRXJYZXBA-UHFFFAOYSA-N 1 0 454.525 3.923 20 10 JHCDRO CC[C@]1(C)Oc2ccc(NC(=O)NCCC[NH+]3CCN(c4ccc(OC)cc4)CC3)cc2O1 ZINC001310562706 1069018320 /nfs/dbraw/zinc/01/83/20/1069018320.db2.gz YKCKORGVODWDJU-RUZDIDTESA-N 1 0 454.571 3.926 20 10 JHCDRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC001311458346 1069387748 /nfs/dbraw/zinc/38/77/48/1069387748.db2.gz UHSIRNJUXIANDU-UHFFFAOYSA-N 1 0 454.537 3.702 20 10 JHCDRO Cc1ccc([C@H](CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[NH+]2CCCC2)cc1 ZINC001311765907 1069538695 /nfs/dbraw/zinc/53/86/95/1069538695.db2.gz JQGYIIHIMJZEEC-QHCPKHFHSA-N 1 0 458.553 3.746 20 10 JHCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCOc4c(OC)cccc43)cc2F)CC1 ZINC001311892888 1069601078 /nfs/dbraw/zinc/60/10/78/1069601078.db2.gz NYWYFVZYBOETEH-OAQYLSRUSA-N 1 0 456.562 3.689 20 10 JHCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(COC3CCOCC3)cc2)[NH+](C)C)cc1 ZINC001312350812 1069878925 /nfs/dbraw/zinc/87/89/25/1069878925.db2.gz NBMPEZIFGVVJPO-VWLOTQADSA-N 1 0 454.615 3.550 20 10 JHCDRO COc1cccc([C@@H]2CC[N@H+](CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)C2(C)C)c1 ZINC001308045639 1070290813 /nfs/dbraw/zinc/29/08/13/1070290813.db2.gz GNFFNGLNULMKSM-QFIPXVFZSA-N 1 0 455.574 3.555 20 10 JHCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)[NH+](C)C)cc1 ZINC001313394746 1070346951 /nfs/dbraw/zinc/34/69/51/1070346951.db2.gz VDVWZXKIJVXKSS-JOCHJYFZSA-N 1 0 454.619 3.670 20 10 JHCDRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1Cn1cccn1 ZINC001308394724 1070367981 /nfs/dbraw/zinc/36/79/81/1070367981.db2.gz DMYXFLMMZYILNM-UHFFFAOYSA-N 1 0 453.486 3.652 20 10 JHCDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4c(O)cccc4Br)CC3)cc2NC1=O ZINC001308591231 1070396791 /nfs/dbraw/zinc/39/67/91/1070396791.db2.gz GZUCRDUZOJQBRI-CYBMUJFWSA-N 1 0 459.340 3.969 20 10 JHCDRO CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1F ZINC001314661787 1070787231 /nfs/dbraw/zinc/78/72/31/1070787231.db2.gz QHLPQABEDDABLD-UHFFFAOYSA-N 1 0 466.609 3.547 20 10 JHCDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001313724628 1071031108 /nfs/dbraw/zinc/03/11/08/1071031108.db2.gz AOMWVXYNVRWJCG-ZJSXRUAMSA-N 1 0 470.662 3.723 20 10 JHCDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001313861944 1071374820 /nfs/dbraw/zinc/37/48/20/1071374820.db2.gz OHECUIUGXMVOPN-RBUKOAKNSA-N 1 0 499.610 3.653 20 10 JHCDRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)Cc2ccccc2O)C1 ZINC001313890362 1071482502 /nfs/dbraw/zinc/48/25/02/1071482502.db2.gz MGJBSMTUGSVQFJ-SESVDKBCSA-N 1 0 484.645 3.733 20 10 JHCDRO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC001313949443 1071635839 /nfs/dbraw/zinc/63/58/39/1071635839.db2.gz XYRXDPSZUXDISB-VWLOTQADSA-N 1 0 481.733 3.977 20 10 JHCDRO CC[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC[NH+](C)C)C[C@H](C)O1 ZINC001306401008 1068860674 /nfs/dbraw/zinc/86/06/74/1068860674.db2.gz ZTEYNROLCOVTKN-XUZZJYLKSA-N 1 0 480.657 3.935 20 10 JHCDRO