smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003880223 845044803 /nfs/dbraw/zinc/04/48/03/845044803.db2.gz ZYNPSWQUEBAETK-UHFFFAOYSA-N 1 0 420.601 4.194 50 0 HIAARO CO[C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)C1 ZINC000011873138 845839194 /nfs/dbraw/zinc/83/91/94/845839194.db2.gz IFJNPNJJLNBSHY-LJQANCHMSA-N 1 0 422.997 4.480 50 0 HIAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000012099026 845853047 /nfs/dbraw/zinc/85/30/47/845853047.db2.gz AYCNRZCSADROKE-NRFANRHFSA-N 1 0 412.961 4.310 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c21 ZINC000012190539 845858965 /nfs/dbraw/zinc/85/89/65/845858965.db2.gz ROYZANFQXVTZLG-KRWDZBQOSA-N 1 0 415.607 4.301 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCCn3ccnc3)c(-c3cccc(F)c3)n2)cc1 ZINC000012306859 845867246 /nfs/dbraw/zinc/86/72/46/845867246.db2.gz QVTUDHZHEGJPFN-UHFFFAOYSA-N 1 0 405.477 4.063 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cccc(Cl)c2)cc1 ZINC000012744643 845889146 /nfs/dbraw/zinc/88/91/46/845889146.db2.gz KDIZYMFZFNPLQV-UHFFFAOYSA-N 1 0 400.950 4.375 50 0 HIAARO COc1ccc(CN2CC[N@@H+]([C@H](C)CCc3c[nH]c4ccccc34)CCC2=O)cc1 ZINC000014958291 845994785 /nfs/dbraw/zinc/99/47/85/845994785.db2.gz VYQDVNHTOFEZJD-LJQANCHMSA-N 1 0 405.542 4.232 50 0 HIAARO CC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)c1 ZINC000014977785 845995493 /nfs/dbraw/zinc/99/54/93/845995493.db2.gz DDUFXKPENGCSBI-DEOSSOPVSA-N 1 0 407.558 4.238 50 0 HIAARO COc1cc(C[NH2+][C@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)cc(OC)c1 ZINC000014986124 845997099 /nfs/dbraw/zinc/99/70/99/845997099.db2.gz ANZPFUOIOKYJMB-IBGZPJMESA-N 1 0 424.520 4.243 50 0 HIAARO Cc1ccccc1[C@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000019641398 846371329 /nfs/dbraw/zinc/37/13/29/846371329.db2.gz DTTKLZQPZYSBIA-RUZDIDTESA-N 1 0 406.570 4.088 50 0 HIAARO COc1ccc(-n2ccnc2CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000019742105 846372098 /nfs/dbraw/zinc/37/20/98/846372098.db2.gz RGMXJUISZKGWQC-QHCPKHFHSA-N 1 0 404.558 4.020 50 0 HIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020209767 846382470 /nfs/dbraw/zinc/38/24/70/846382470.db2.gz RWXAEZBLGHJEHD-QHCPKHFHSA-N 1 0 402.542 4.408 50 0 HIAARO O=C(CCCCc1ccccc1)Nc1ccc(N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000020449214 846383656 /nfs/dbraw/zinc/38/36/56/846383656.db2.gz LSCNFRKKUKKFAL-UHFFFAOYSA-N 1 0 421.585 4.339 50 0 HIAARO COc1ccccc1CC[NH2+][C@@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020860694 846392291 /nfs/dbraw/zinc/39/22/91/846392291.db2.gz JKYWVQKELGFXBV-QGZVFWFLSA-N 1 0 423.582 4.271 50 0 HIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000022914611 846636641 /nfs/dbraw/zinc/63/66/41/846636641.db2.gz UEUAQPQXVCDSRI-HXUWFJFHSA-N 1 0 411.933 4.328 50 0 HIAARO Cn1c(=O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc2ccc(Cl)cc21 ZINC000023339524 846686646 /nfs/dbraw/zinc/68/66/46/846686646.db2.gz XGXQFUADDZVRJJ-VMPITWQZSA-N 1 0 407.945 4.023 50 0 HIAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1ccc(Cl)cc1 ZINC000023374557 846691433 /nfs/dbraw/zinc/69/14/33/846691433.db2.gz FLMUSSHTCXNIPX-YADHBBJMSA-N 1 0 406.014 4.464 50 0 HIAARO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3cc4ccccc4o3)C1)CC2 ZINC000023375222 846691614 /nfs/dbraw/zinc/69/16/14/846691614.db2.gz GPJFAWXGBQOZKL-OAQYLSRUSA-N 1 0 406.526 4.473 50 0 HIAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000055371434 850008300 /nfs/dbraw/zinc/00/83/00/850008300.db2.gz ROKBMCVPKUXHNP-HXUWFJFHSA-N 1 0 400.592 4.180 50 0 HIAARO CCOc1cc(/C=C\C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000096585379 852551535 /nfs/dbraw/zinc/55/15/35/852551535.db2.gz RUGOOWPJVXVQAJ-VJIACCKLSA-N 1 0 414.933 4.151 50 0 HIAARO COc1cccc([C@H](CNC(=O)/C=C\c2ccc(OC(F)F)cc2)[NH+]2CCCC2)c1 ZINC000097985906 852646543 /nfs/dbraw/zinc/64/65/43/852646543.db2.gz XTHXIONLWBXZEE-ZAGZISDZSA-N 1 0 416.468 4.263 50 0 HIAARO O=C(c1cccc(Cl)c1)N1CCC(OC2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000169792724 853664650 /nfs/dbraw/zinc/66/46/50/853664650.db2.gz DNAODKJOJRWQSA-UHFFFAOYSA-N 1 0 413.949 4.021 50 0 HIAARO CCn1cc(C[NH+]2CCC(N3C(=O)C4(CCCCC4)[C@H]3c3ccncc3)CC2)c(C)n1 ZINC000257187008 854234140 /nfs/dbraw/zinc/23/41/40/854234140.db2.gz LDYCHPCTGGCKMZ-HSZRJFAPSA-N 1 0 421.589 4.105 50 0 HIAARO OC1CC[NH+](Cc2ccc3c(c2)CN(Cc2ccccc2C(F)(F)F)CCO3)CC1 ZINC000299770819 854280914 /nfs/dbraw/zinc/28/09/14/854280914.db2.gz RSLASBONKDEMRC-UHFFFAOYSA-N 1 0 420.475 4.057 50 0 HIAARO COc1cccc(-c2cc(C(=O)NC[C@H]3C[N@@H+](C(C)C)CC34CCCCC4)[nH]n2)c1 ZINC000409419678 855483336 /nfs/dbraw/zinc/48/33/36/855483336.db2.gz DAOGUXFGYPIJQK-IBGZPJMESA-N 1 0 410.562 4.106 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000575547004 948677297 /nfs/dbraw/zinc/67/72/97/948677297.db2.gz VTPMXHVIXAEXGY-HXUWFJFHSA-N 1 0 404.514 4.111 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Br)CC1 ZINC000003552989 132266854 /nfs/dbraw/zinc/26/68/54/132266854.db2.gz ACOGVJFNYDDNCQ-UHFFFAOYSA-N 1 0 408.727 4.107 50 0 HIAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000004711733 132285347 /nfs/dbraw/zinc/28/53/47/132285347.db2.gz ZIEFAYJLPBHRMX-UHFFFAOYSA-N 1 0 421.497 4.004 50 0 HIAARO CCCSc1nc2sc3c(c2c(N2CC[NH+](CC)CC2)n1)CC(C)(C)OC3 ZINC000005156891 132303446 /nfs/dbraw/zinc/30/34/46/132303446.db2.gz BVIWEFZLTSXUPD-UHFFFAOYSA-N 1 0 406.621 4.187 50 0 HIAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c1C ZINC000006547374 132311519 /nfs/dbraw/zinc/31/15/19/132311519.db2.gz MCFBBSPIIOWBNG-UHFFFAOYSA-N 1 0 409.549 4.003 50 0 HIAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000014979010 132460760 /nfs/dbraw/zinc/46/07/60/132460760.db2.gz UAMDYECRDYVCSJ-UHFFFAOYSA-N 1 0 421.585 4.385 50 0 HIAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1cccc(Cl)c1 ZINC000040720281 520712668 /nfs/dbraw/zinc/71/26/68/520712668.db2.gz BGRBRUBMHJPHDB-UHFFFAOYSA-N 1 0 418.965 4.130 50 0 HIAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000032616900 522443662 /nfs/dbraw/zinc/44/36/62/522443662.db2.gz OCKOPTJOUWDQMT-UHFFFAOYSA-N 1 0 423.557 4.277 50 0 HIAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040743978 522455247 /nfs/dbraw/zinc/45/52/47/522455247.db2.gz OCOOZECPSLWIEH-GFCCVEGCSA-N 1 0 414.727 4.161 50 0 HIAARO COc1cc(OC)cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000032848487 522846122 /nfs/dbraw/zinc/84/61/22/522846122.db2.gz RXXXVXKZFNDHGX-UHFFFAOYSA-N 1 0 422.447 4.071 50 0 HIAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cnc(C)[nH]3)C2)cc1 ZINC000042917348 523139620 /nfs/dbraw/zinc/13/96/20/523139620.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 1 0 404.514 4.244 50 0 HIAARO CN(Cc1ccccc1N1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032779407 523373033 /nfs/dbraw/zinc/37/30/33/523373033.db2.gz GLNKNNKZSIUOSY-UHFFFAOYSA-N 1 0 406.574 4.093 50 0 HIAARO CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1([NH+]2CCCCC2)CCCCC1 ZINC000020598922 523542128 /nfs/dbraw/zinc/54/21/28/523542128.db2.gz LIRVKVZCJZVXGI-UHFFFAOYSA-N 1 0 412.534 4.086 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540518 523949048 /nfs/dbraw/zinc/94/90/48/523949048.db2.gz OYSYPWFNKAZTSN-NRFANRHFSA-N 1 0 424.614 4.329 50 0 HIAARO COc1ccc(Cc2nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3o2)cc1 ZINC000040451184 524165917 /nfs/dbraw/zinc/16/59/17/524165917.db2.gz BDPLFYGSBOIPDS-KRWDZBQOSA-N 1 0 407.514 4.031 50 0 HIAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000040732807 525072785 /nfs/dbraw/zinc/07/27/85/525072785.db2.gz FGRNGBCRKWELOT-UHFFFAOYSA-N 1 0 404.466 4.031 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+](C)C)cc1OC ZINC000032622174 525356999 /nfs/dbraw/zinc/35/69/99/525356999.db2.gz WHMDVDVKBZZRRF-FQEVSTJZSA-N 1 0 423.513 4.008 50 0 HIAARO COc1cccc(CCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1OC ZINC000032930070 525880792 /nfs/dbraw/zinc/88/07/92/525880792.db2.gz LMXAWDSXFQBVNY-LJQANCHMSA-N 1 0 410.558 4.185 50 0 HIAARO CSc1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000032818677 526012380 /nfs/dbraw/zinc/01/23/80/526012380.db2.gz OVTRDPWFOIPCMU-OAQYLSRUSA-N 1 0 418.006 4.171 50 0 HIAARO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1cccc(Cl)c1 ZINC000040722614 526012706 /nfs/dbraw/zinc/01/27/06/526012706.db2.gz INIJTUKSJJCGBC-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000032827381 526164693 /nfs/dbraw/zinc/16/46/93/526164693.db2.gz UKNXYGONGXFGRE-UHFFFAOYSA-N 1 0 413.521 4.035 50 0 HIAARO O[C@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000032843157 526284868 /nfs/dbraw/zinc/28/48/68/526284868.db2.gz BQWNDSDANVLCTC-CYFREDJKSA-N 1 0 423.534 4.002 50 0 HIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765697 526579162 /nfs/dbraw/zinc/57/91/62/526579162.db2.gz VQXIIIBEXZOOMF-HSZRJFAPSA-N 1 0 400.526 4.317 50 0 HIAARO FC(F)(F)c1nnc2ccc(NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)nn21 ZINC000032869531 527691578 /nfs/dbraw/zinc/69/15/78/527691578.db2.gz FGLPUQMHQQAWDX-AWEZNQCLSA-N 1 0 410.831 4.046 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cn2)CC1 ZINC000012613578 536423765 /nfs/dbraw/zinc/42/37/65/536423765.db2.gz QZLSKYGTIHLHOO-QHCPKHFHSA-N 1 0 418.566 4.306 50 0 HIAARO COc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)ccc1OCc1ccccc1 ZINC000001179424 557229392 /nfs/dbraw/zinc/22/93/92/557229392.db2.gz CLIPYYZRYMIWQD-UHFFFAOYSA-N 1 0 422.569 4.499 50 0 HIAARO O=C(c1ccc(Br)cc1)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514729 557353679 /nfs/dbraw/zinc/35/36/79/557353679.db2.gz ZXSGQTRKIKJMDY-UHFFFAOYSA-N 1 0 416.315 4.019 50 0 HIAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)Cc4cccs4)cn3)CC2)cc1 ZINC000034681831 557383632 /nfs/dbraw/zinc/38/36/32/557383632.db2.gz CSVNBZZSOXAKMF-UHFFFAOYSA-N 1 0 420.582 4.345 50 0 HIAARO CCC[NH2+]Cc1cc(OCC)c(OCC(=O)Nc2ccccc2)cc1Br ZINC000002863758 557411432 /nfs/dbraw/zinc/41/14/32/557411432.db2.gz BHFTZNIEJSFAKH-UHFFFAOYSA-N 1 0 421.335 4.365 50 0 HIAARO CCCCCCC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000034912089 557472570 /nfs/dbraw/zinc/47/25/70/557472570.db2.gz NYRKITHZGFSKCR-UHFFFAOYSA-N 1 0 417.569 4.438 50 0 HIAARO CC1(C)CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(Br)cc3)CN21 ZINC000004528733 557564071 /nfs/dbraw/zinc/56/40/71/557564071.db2.gz GXSBNQXTSQUGDS-IBGZPJMESA-N 1 0 404.353 4.008 50 0 HIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)nc1 ZINC000004770697 557596494 /nfs/dbraw/zinc/59/64/94/557596494.db2.gz BJTCCGOLJYSKPQ-UHFFFAOYSA-N 1 0 412.873 4.341 50 0 HIAARO Cc1c(Cl)ccc2c(C(=O)NCC[NH+]3CCCCC3)cc(-c3ccncc3)nc12 ZINC000005048785 557629953 /nfs/dbraw/zinc/62/99/53/557629953.db2.gz HYVBALYDKSWUTE-UHFFFAOYSA-N 1 0 408.933 4.474 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1 ZINC000005090860 557634584 /nfs/dbraw/zinc/63/45/84/557634584.db2.gz BCRKWGHGOSJYJB-IBGZPJMESA-N 1 0 402.336 4.357 50 0 HIAARO CCc1ccc(C2=[N+]3CCCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000006791668 557721523 /nfs/dbraw/zinc/72/15/23/557721523.db2.gz YEWSPSBAKAJELS-QHCPKHFHSA-N 1 0 401.477 4.302 50 0 HIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000006805446 557722734 /nfs/dbraw/zinc/72/27/34/557722734.db2.gz WGVWNEJGMBORIM-CALCHBBNSA-N 1 0 401.518 4.014 50 0 HIAARO C[NH+](C)CCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002773623 557760632 /nfs/dbraw/zinc/76/06/32/557760632.db2.gz HOFPHVDBDQERJN-UHFFFAOYSA-N 1 0 412.331 4.346 50 0 HIAARO COc1ccc(C(=O)OCc2ccccc2C[NH+]2CCCC2)cc1Br ZINC000008492971 557793163 /nfs/dbraw/zinc/79/31/63/557793163.db2.gz CFEKJXCBSGWWAO-UHFFFAOYSA-N 1 0 404.304 4.411 50 0 HIAARO CC(C)(C)OC(=O)CCC([NH3+])(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C ZINC000008700545 557800659 /nfs/dbraw/zinc/80/06/59/557800659.db2.gz PFFIXGHIRWJVRO-UHFFFAOYSA-N 1 0 415.571 4.050 50 0 HIAARO COc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010314045 557859496 /nfs/dbraw/zinc/85/94/96/557859496.db2.gz JVKMEACIFPHRAF-UHFFFAOYSA-N 1 0 403.885 4.443 50 0 HIAARO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000011818849 558282101 /nfs/dbraw/zinc/28/21/01/558282101.db2.gz PCXIFDHTXODMFO-IBGZPJMESA-N 1 0 408.502 4.225 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1cccs1 ZINC000019796724 558284385 /nfs/dbraw/zinc/28/43/85/558284385.db2.gz PKCMNOGGLOLSIX-HNNXBMFYSA-N 1 0 420.332 4.198 50 0 HIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000011838316 558285320 /nfs/dbraw/zinc/28/53/20/558285320.db2.gz YCMAOSOKMQWYKJ-GOSISDBHSA-N 1 0 407.432 4.171 50 0 HIAARO CN(Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842534 558287620 /nfs/dbraw/zinc/28/76/20/558287620.db2.gz DQEAZIKXOQCWBC-NRFANRHFSA-N 1 0 423.992 4.307 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccc3ccccc32)cc1 ZINC000011869852 558290132 /nfs/dbraw/zinc/29/01/32/558290132.db2.gz HMDJQTVMMLWSFY-HSZRJFAPSA-N 1 0 416.521 4.297 50 0 HIAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000011878498 558292784 /nfs/dbraw/zinc/29/27/84/558292784.db2.gz DAWWVVGXEOQCEZ-IBGZPJMESA-N 1 0 420.509 4.298 50 0 HIAARO CCOc1ccc2nc(N3CCC[C@H]([NH2+]CCCc4cccnc4)CC3)nc(C)c2c1 ZINC000011912519 558297062 /nfs/dbraw/zinc/29/70/62/558297062.db2.gz UOCNBYLNGJQCFE-NRFANRHFSA-N 1 0 419.573 4.313 50 0 HIAARO Cc1nn(C)c(Cl)c1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011937683 558301395 /nfs/dbraw/zinc/30/13/95/558301395.db2.gz ICPDETSRCNDUQG-UHFFFAOYSA-N 1 0 416.013 4.434 50 0 HIAARO COc1ccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889050 558302371 /nfs/dbraw/zinc/30/23/71/558302371.db2.gz WIDPDFCJYLWUFS-SFTDATJTSA-N 1 0 424.585 4.348 50 0 HIAARO COc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000012004642 558308935 /nfs/dbraw/zinc/30/89/35/558308935.db2.gz NPWQWBLKMVECMA-UHFFFAOYSA-N 1 0 418.541 4.300 50 0 HIAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H]([NH2+]C1CCCCCCC1)CC3 ZINC000012041574 558313143 /nfs/dbraw/zinc/31/31/43/558313143.db2.gz MCEQUKBOJHTQJH-GOSISDBHSA-N 1 0 422.598 4.461 50 0 HIAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000012049145 558313639 /nfs/dbraw/zinc/31/36/39/558313639.db2.gz IXXKHDSUAUKKHZ-QHCPKHFHSA-N 1 0 413.924 4.482 50 0 HIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C(=O)c2ccco2)C2CCCC2)CC1 ZINC000012051936 558314368 /nfs/dbraw/zinc/31/43/68/558314368.db2.gz HQMKJRMPVLQJIL-UHFFFAOYSA-N 1 0 422.569 4.497 50 0 HIAARO O=C(c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)N1CCSCC1 ZINC000012058233 558316805 /nfs/dbraw/zinc/31/68/05/558316805.db2.gz AHDKMAJMFXIWJU-UHFFFAOYSA-N 1 0 408.995 4.315 50 0 HIAARO CCCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000012058253 558316941 /nfs/dbraw/zinc/31/69/41/558316941.db2.gz PQTKEQUWUFYYIN-UHFFFAOYSA-N 1 0 421.570 4.403 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000020109743 558335054 /nfs/dbraw/zinc/33/50/54/558335054.db2.gz AZACNPZCGAGACO-DZFGPLHGSA-N 1 0 409.014 4.363 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000020117759 558336798 /nfs/dbraw/zinc/33/67/98/558336798.db2.gz IKYKMHDZODQJHT-FABAWLPWSA-N 1 0 405.586 4.385 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1ccc(F)cc1 ZINC000012150217 558338879 /nfs/dbraw/zinc/33/88/79/558338879.db2.gz HTEWKFHSCMSQRK-GOSISDBHSA-N 1 0 414.521 4.265 50 0 HIAARO COc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2C[NH+](C)C)cc1 ZINC000012165076 558342267 /nfs/dbraw/zinc/34/22/67/558342267.db2.gz GWMJWUKTUJNLRB-UHFFFAOYSA-N 1 0 418.537 4.162 50 0 HIAARO COc1ccc(CN2C(=O)CC[C@@H]3C[N@@H+](C/C=C/c4ccccc4OC)CC[C@@H]32)cc1 ZINC000012201993 558351691 /nfs/dbraw/zinc/35/16/91/558351691.db2.gz OIQJYLUISQXFIK-KQAUKTGJSA-N 1 0 420.553 4.230 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCc3cn[nH]c3)c(-c3ccccc3Cl)n2)cc1 ZINC000012223854 558356858 /nfs/dbraw/zinc/35/68/58/558356858.db2.gz PRLADCDBBBTWEE-UHFFFAOYSA-N 1 0 407.905 4.257 50 0 HIAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000020392509 558359382 /nfs/dbraw/zinc/35/93/82/558359382.db2.gz IPGPAPUYJISELY-NRFANRHFSA-N 1 0 419.447 4.051 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1cc(C(F)(F)F)ccc1F ZINC000012283594 558365347 /nfs/dbraw/zinc/36/53/47/558365347.db2.gz VXPVJLPENPOJLM-GOSISDBHSA-N 1 0 424.438 4.394 50 0 HIAARO CCc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1 ZINC000012302137 558371685 /nfs/dbraw/zinc/37/16/85/558371685.db2.gz ROHDDUSBLBCPHG-UHFFFAOYSA-N 1 0 400.519 4.490 50 0 HIAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCCc1ccccc1 ZINC000012302070 558371886 /nfs/dbraw/zinc/37/18/86/558371886.db2.gz FDDXUUUHIPMFKP-UHFFFAOYSA-N 1 0 412.537 4.329 50 0 HIAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)n1 ZINC000012304048 558373427 /nfs/dbraw/zinc/37/34/27/558373427.db2.gz ATMLDGFACOFBDZ-UHFFFAOYSA-N 1 0 402.498 4.428 50 0 HIAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)[N@H+]3CCC[C@@]123 ZINC000012307403 558376177 /nfs/dbraw/zinc/37/61/77/558376177.db2.gz IKVSUOLXSCXSHS-ZJOUEHCJSA-N 1 0 401.432 4.038 50 0 HIAARO Cc1ccc(C[NH2+]Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn32)cc1 ZINC000012314276 558377834 /nfs/dbraw/zinc/37/78/34/558377834.db2.gz MJDJFNCRJUYRQX-UHFFFAOYSA-N 1 0 418.566 4.309 50 0 HIAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317447 558380872 /nfs/dbraw/zinc/38/08/72/558380872.db2.gz GADAAJADYMUHKV-FQEVSTJZSA-N 1 0 406.505 4.385 50 0 HIAARO O=C(c1csc2nc(-c3cccc(F)c3)cn12)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000012430179 558404975 /nfs/dbraw/zinc/40/49/75/558404975.db2.gz XMTGVLHLAIZGGN-MRXNPFEDSA-N 1 0 412.534 4.150 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(Cl)cc1 ZINC000020729347 558406026 /nfs/dbraw/zinc/40/60/26/558406026.db2.gz MTGVPCRBVDBCIU-SFHVURJKSA-N 1 0 402.947 4.191 50 0 HIAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1 ZINC000012433750 558407635 /nfs/dbraw/zinc/40/76/35/558407635.db2.gz GWPOWGUQOPODCX-CQSZACIVSA-N 1 0 402.951 4.273 50 0 HIAARO CC(C)c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)on1 ZINC000012441263 558412008 /nfs/dbraw/zinc/41/20/08/558412008.db2.gz AQBSTUZRZANUFJ-UHFFFAOYSA-N 1 0 403.954 4.478 50 0 HIAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000012449141 558415919 /nfs/dbraw/zinc/41/59/19/558415919.db2.gz HWEKKQQOZKKSEJ-QHCPKHFHSA-N 1 0 423.511 4.177 50 0 HIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874713 558418889 /nfs/dbraw/zinc/41/88/89/558418889.db2.gz CDWRNYFEZXXVAF-OAHLLOKOSA-N 1 0 408.336 4.206 50 0 HIAARO OCC[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)CC[N@@H+]1Cc1cccs1 ZINC000020877760 558419384 /nfs/dbraw/zinc/41/93/84/558419384.db2.gz XDUWKTSBZXLRDI-HXUWFJFHSA-N 1 0 400.588 4.138 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCO2)cc1Br ZINC000020926759 558423673 /nfs/dbraw/zinc/42/36/73/558423673.db2.gz ARKIFDIGLPQKBS-LBPRGKRZSA-N 1 0 407.146 4.269 50 0 HIAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000012573451 558429993 /nfs/dbraw/zinc/42/99/93/558429993.db2.gz MQGNSMMAOJTASY-UHFFFAOYSA-N 1 0 408.571 4.342 50 0 HIAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000012580903 558432310 /nfs/dbraw/zinc/43/23/10/558432310.db2.gz LYIOHHDANUQNQT-LJQANCHMSA-N 1 0 414.596 4.233 50 0 HIAARO CN(C(=O)c1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012583891 558433311 /nfs/dbraw/zinc/43/33/11/558433311.db2.gz VKGLAEALONKRBP-XMMPIXPASA-N 1 0 402.542 4.042 50 0 HIAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012590931 558435735 /nfs/dbraw/zinc/43/57/35/558435735.db2.gz AEXLXXXTFZXOND-UHFFFAOYSA-N 1 0 400.950 4.375 50 0 HIAARO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000021702680 558445912 /nfs/dbraw/zinc/44/59/12/558445912.db2.gz HYWBGLHMOCPVLO-WOJBJXKFSA-N 1 0 409.574 4.149 50 0 HIAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH+]2CCC(CO)(Cc3ccccc3)CC2)n1 ZINC000012712046 558452907 /nfs/dbraw/zinc/45/29/07/558452907.db2.gz UIKMKLGAEDDQKZ-UHFFFAOYSA-N 1 0 407.533 4.445 50 0 HIAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012711732 558452953 /nfs/dbraw/zinc/45/29/53/558452953.db2.gz DMEYKEZVQBHHIS-RUZDIDTESA-N 1 0 418.541 4.045 50 0 HIAARO C[NH+](C)CCCN(C(=O)CCOc1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359767 558457007 /nfs/dbraw/zinc/45/70/07/558457007.db2.gz SEZYVGIGHFGETN-UHFFFAOYSA-N 1 0 401.507 4.189 50 0 HIAARO CCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3OC)s2)cc1 ZINC000004359743 558457046 /nfs/dbraw/zinc/45/70/46/558457046.db2.gz XHWQLGJQHIYJTA-UHFFFAOYSA-N 1 0 413.543 4.302 50 0 HIAARO CCOc1ccccc1-c1nc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cs1 ZINC000012883899 558483155 /nfs/dbraw/zinc/48/31/55/558483155.db2.gz DENCVNGVFBENBM-QGZVFWFLSA-N 1 0 415.584 4.232 50 0 HIAARO C[C@@H](C(=O)NCc1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022774458 558509155 /nfs/dbraw/zinc/50/91/55/558509155.db2.gz PAPXPQUVLHPRJZ-FQEVSTJZSA-N 1 0 419.594 4.160 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022785019 558510569 /nfs/dbraw/zinc/51/05/69/558510569.db2.gz BKRWBDPITHAZNA-CABCVRRESA-N 1 0 406.473 4.070 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)O1)c1ccco1 ZINC000023128834 558536553 /nfs/dbraw/zinc/53/65/53/558536553.db2.gz JQGXUIWSOJQTQM-RMWKRFJVSA-N 1 0 414.933 4.303 50 0 HIAARO CCc1nc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2nc1CC ZINC000023689238 558568069 /nfs/dbraw/zinc/56/80/69/558568069.db2.gz WOAYWAGDSYEBGX-UHFFFAOYSA-N 1 0 417.557 4.067 50 0 HIAARO Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(OCC[NH+](C)C)c21 ZINC000013692962 558574376 /nfs/dbraw/zinc/57/43/76/558574376.db2.gz FLJXDCRUTRPWQI-UHFFFAOYSA-N 1 0 424.570 4.233 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730651 558586507 /nfs/dbraw/zinc/58/65/07/558586507.db2.gz MLSCJTPGUAPRCP-NSHDSACASA-N 1 0 403.114 4.332 50 0 HIAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000013774855 558592265 /nfs/dbraw/zinc/59/22/65/558592265.db2.gz LWUPPCQEAPWKDY-HSZRJFAPSA-N 1 0 417.476 4.337 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3nc(-c4cccs4)oc3C)c(C)c2)CC1 ZINC000024496640 558599189 /nfs/dbraw/zinc/59/91/89/558599189.db2.gz DXISELVLXNEKEH-UHFFFAOYSA-N 1 0 424.570 4.343 50 0 HIAARO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000024674708 558607257 /nfs/dbraw/zinc/60/72/57/558607257.db2.gz ZBWFCFLHTKHUKH-LJQANCHMSA-N 1 0 407.558 4.408 50 0 HIAARO CCCc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C(C)C)cc1 ZINC000024748031 558609746 /nfs/dbraw/zinc/60/97/46/558609746.db2.gz QJXOCEDCEYAXDW-XMMPIXPASA-N 1 0 407.558 4.457 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)[NH+](C)C)c1 ZINC000014182284 558628790 /nfs/dbraw/zinc/62/87/90/558628790.db2.gz IYWQOUGWXGNQAS-LJQANCHMSA-N 1 0 402.585 4.207 50 0 HIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014182776 558629010 /nfs/dbraw/zinc/62/90/10/558629010.db2.gz ZCEXGNCXQQRFCS-UHFFFAOYSA-N 1 0 401.576 4.040 50 0 HIAARO COCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000014202136 558637381 /nfs/dbraw/zinc/63/73/81/558637381.db2.gz UGKGOJLMMSICGB-FQEVSTJZSA-N 1 0 408.498 4.155 50 0 HIAARO C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680419 558647600 /nfs/dbraw/zinc/64/76/00/558647600.db2.gz LWMNSMXOTVCFRC-FQEVSTJZSA-N 1 0 404.554 4.351 50 0 HIAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](C)CCC13CC4CC(CC(C4)C1)C3)C2 ZINC000014535436 558658087 /nfs/dbraw/zinc/65/80/87/558658087.db2.gz AJPJYRPIUWZPAP-MOVGKWKRSA-N 1 0 424.633 4.052 50 0 HIAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014746065 558669115 /nfs/dbraw/zinc/66/91/15/558669115.db2.gz ONXJHTIUFQFHMQ-UHFFFAOYSA-N 1 0 419.569 4.184 50 0 HIAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014754455 558671584 /nfs/dbraw/zinc/67/15/84/558671584.db2.gz VPOXCAOFLPYYSY-UHFFFAOYSA-N 1 0 424.589 4.469 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2ccc(Br)cc2[nH]1 ZINC000072271204 558674659 /nfs/dbraw/zinc/67/46/59/558674659.db2.gz WFXRDQAPRJVDLY-UHFFFAOYSA-N 1 0 412.331 4.456 50 0 HIAARO O=C(c1ccsc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014950421 558680847 /nfs/dbraw/zinc/68/08/47/558680847.db2.gz SMMPJOJWQPOZGZ-XMMPIXPASA-N 1 0 424.610 4.249 50 0 HIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c1 ZINC000014954504 558682054 /nfs/dbraw/zinc/68/20/54/558682054.db2.gz CPVXCXKQDBIDAZ-OAQYLSRUSA-N 1 0 421.541 4.098 50 0 HIAARO O=C(COc1ccc(Cl)cc1Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027939378 558684987 /nfs/dbraw/zinc/68/49/87/558684987.db2.gz ATFFQRGEFMTLMD-UHFFFAOYSA-N 1 0 407.341 4.196 50 0 HIAARO CSC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000014971290 558687373 /nfs/dbraw/zinc/68/73/73/558687373.db2.gz JCSJEDAPJBUNSG-LJQANCHMSA-N 1 0 412.599 4.254 50 0 HIAARO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000015064579 558707511 /nfs/dbraw/zinc/70/75/11/558707511.db2.gz UFCUJNCNUAKHOP-UHFFFAOYSA-N 1 0 401.510 4.055 50 0 HIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015065516 558708427 /nfs/dbraw/zinc/70/84/27/558708427.db2.gz CNUABROAFJAPBN-GOSISDBHSA-N 1 0 411.933 4.273 50 0 HIAARO CC1(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000015072915 558713976 /nfs/dbraw/zinc/71/39/76/558713976.db2.gz SDIQZKLSJSBSET-FQEVSTJZSA-N 1 0 423.523 4.399 50 0 HIAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](CCCc2ccccc2)CC1 ZINC000015073546 558714218 /nfs/dbraw/zinc/71/42/18/558714218.db2.gz HSAQIVCAUCGBBY-UHFFFAOYSA-N 1 0 408.542 4.063 50 0 HIAARO O=C(NC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)c1cc2ccccc2[nH]1 ZINC000015075974 558716318 /nfs/dbraw/zinc/71/63/18/558716318.db2.gz WSAYSCABLJXUPG-MRXNPFEDSA-N 1 0 404.539 4.420 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(OC)c1 ZINC000015075739 558716330 /nfs/dbraw/zinc/71/63/30/558716330.db2.gz IXDCXCFLXMGKBJ-JOCHJYFZSA-N 1 0 424.585 4.445 50 0 HIAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OC)CCCCC2 ZINC000004554487 558722152 /nfs/dbraw/zinc/72/21/52/558722152.db2.gz OLJGBUDDQJOVFM-UHFFFAOYSA-N 1 0 415.559 4.216 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nc(C2CC2)nc2ccccc21)c1ccco1 ZINC000029977813 558725050 /nfs/dbraw/zinc/72/50/50/558725050.db2.gz RPMPKHMBHLSLFV-LJQANCHMSA-N 1 0 424.570 4.392 50 0 HIAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087216 558760692 /nfs/dbraw/zinc/76/06/92/558760692.db2.gz RDWXHMKITLLLOX-LJQANCHMSA-N 1 0 402.922 4.330 50 0 HIAARO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000034871995 558786216 /nfs/dbraw/zinc/78/62/16/558786216.db2.gz VMOKLPZUULCAMG-JLMWRMLUSA-N 1 0 416.949 4.129 50 0 HIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000016339214 558786884 /nfs/dbraw/zinc/78/68/84/558786884.db2.gz MCXVTHOYPHZJPW-FQEVSTJZSA-N 1 0 417.347 4.253 50 0 HIAARO Cc1c(-[n+]2c(-c3ccc(C)cc3)cn3c2CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000004588954 558788774 /nfs/dbraw/zinc/78/87/74/558788774.db2.gz XKYHIQJFQKFRSM-UHFFFAOYSA-N 1 0 413.545 4.264 50 0 HIAARO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C)CC1 ZINC000016730662 558802164 /nfs/dbraw/zinc/80/21/64/558802164.db2.gz CBEABFKBDWBVKD-UHFFFAOYSA-N 1 0 409.555 4.091 50 0 HIAARO CCc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016741932 558803837 /nfs/dbraw/zinc/80/38/37/558803837.db2.gz RWAOYTGQRHGUNA-QHCPKHFHSA-N 1 0 418.537 4.469 50 0 HIAARO COc1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1OC ZINC000017083182 558815665 /nfs/dbraw/zinc/81/56/65/558815665.db2.gz DYCTZBDFFUUCHP-UHFFFAOYSA-N 1 0 405.498 4.207 50 0 HIAARO Cn1cc(CC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cn1 ZINC000019223169 558852273 /nfs/dbraw/zinc/85/22/73/558852273.db2.gz LYLRRVQKUNAILI-UHFFFAOYSA-N 1 0 409.896 4.398 50 0 HIAARO O[C@](Cc1ccccc1)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019229388 558853458 /nfs/dbraw/zinc/85/34/58/558853458.db2.gz WVRPUXZKFNELFC-CLJLJLNGSA-N 1 0 405.513 4.372 50 0 HIAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccc(Cl)cc1)CCCC2 ZINC000068706770 558864353 /nfs/dbraw/zinc/86/43/53/558864353.db2.gz VLTCAJUPHKDSCZ-UHFFFAOYSA-N 1 0 406.935 4.185 50 0 HIAARO CCOc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871853 /nfs/dbraw/zinc/87/18/53/558871853.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 1 0 412.574 4.186 50 0 HIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(C(C)=O)c4)C3)C2)c1OC ZINC000055099906 558872241 /nfs/dbraw/zinc/87/22/41/558872241.db2.gz CLJRQVBTJWFKTC-SANMLTNESA-N 1 0 422.569 4.395 50 0 HIAARO O=C(CCc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055200419 558876015 /nfs/dbraw/zinc/87/60/15/558876015.db2.gz QOUNPZXFOYTDOG-QHCPKHFHSA-N 1 0 411.977 4.086 50 0 HIAARO COc1ccc(Oc2ncccc2NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000058105716 558899160 /nfs/dbraw/zinc/89/91/60/558899160.db2.gz XUUARWKNRXGVLW-FQEVSTJZSA-N 1 0 422.485 4.434 50 0 HIAARO O=C(Cn1ccc2c1ccnc2SCc1ccccc1)NCC[NH+]1CCCCCC1 ZINC000033172279 558900989 /nfs/dbraw/zinc/90/09/89/558900989.db2.gz GSYOGHXHIGNLHF-UHFFFAOYSA-N 1 0 422.598 4.321 50 0 HIAARO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000058196900 558911185 /nfs/dbraw/zinc/91/11/85/558911185.db2.gz LPEDZRJBQAXWKQ-UHFFFAOYSA-N 1 0 412.578 4.170 50 0 HIAARO CN(C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058266318 558915832 /nfs/dbraw/zinc/91/58/32/558915832.db2.gz WCDBPWHDWTUPDL-OAQYLSRUSA-N 1 0 419.491 4.203 50 0 HIAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000058292145 558916868 /nfs/dbraw/zinc/91/68/68/558916868.db2.gz HMAUDJBMDXAXTR-GGAORHGYSA-N 1 0 413.537 4.067 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033252401 558920615 /nfs/dbraw/zinc/92/06/15/558920615.db2.gz LNUBJRHEBODHKG-UHFFFAOYSA-N 1 0 410.905 4.225 50 0 HIAARO CC(C)c1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000058393384 558923768 /nfs/dbraw/zinc/92/37/68/558923768.db2.gz XNMYLTZZGGTTEG-UHFFFAOYSA-N 1 0 407.345 4.301 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261286 558928272 /nfs/dbraw/zinc/92/82/72/558928272.db2.gz ATUTVNCVUDTVGR-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO CC(C)Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072403941 558967449 /nfs/dbraw/zinc/96/74/49/558967449.db2.gz NJGFZBZINDUNDV-UHFFFAOYSA-N 1 0 417.553 4.052 50 0 HIAARO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)CCC3 ZINC000072410424 558977517 /nfs/dbraw/zinc/97/75/17/558977517.db2.gz MYTTYEWUPUSUMX-QFIPXVFZSA-N 1 0 405.929 4.494 50 0 HIAARO Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072404474 558978129 /nfs/dbraw/zinc/97/81/29/558978129.db2.gz MGDGNDZBWKZKBK-UHFFFAOYSA-N 1 0 408.933 4.135 50 0 HIAARO Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576168 558979561 /nfs/dbraw/zinc/97/95/61/558979561.db2.gz PNZHAWYWOLWYAC-SFTDATJTSA-N 1 0 405.542 4.111 50 0 HIAARO OC[C@@H]1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474213 558983519 /nfs/dbraw/zinc/98/35/19/558983519.db2.gz UXWKNKHSFQMOHY-OAHLLOKOSA-N 1 0 410.901 4.488 50 0 HIAARO Cc1cccc2cc(C[NH+]3CCN(c4cnccn4)CC3)c(-c3cccs3)nc12 ZINC000072476828 558983896 /nfs/dbraw/zinc/98/38/96/558983896.db2.gz YPNAKJBNBZLYMO-UHFFFAOYSA-N 1 0 401.539 4.384 50 0 HIAARO C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000097165686 558998541 /nfs/dbraw/zinc/99/85/41/558998541.db2.gz AAFXHRCQFMFBQR-QGZVFWFLSA-N 1 0 423.536 4.257 50 0 HIAARO Cc1ncsc1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000077383569 559003140 /nfs/dbraw/zinc/00/31/40/559003140.db2.gz JNBGRSQWPUNPSY-QFIPXVFZSA-N 1 0 401.551 4.038 50 0 HIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccccc2OC(F)F)CC1 ZINC000095509581 559083610 /nfs/dbraw/zinc/08/36/10/559083610.db2.gz UYOKXWOLNRAJAR-UHFFFAOYSA-N 1 0 402.485 4.315 50 0 HIAARO C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903312 559088802 /nfs/dbraw/zinc/08/88/02/559088802.db2.gz BHBWNYBKKMRJJJ-SQJMNOBHSA-N 1 0 423.576 4.099 50 0 HIAARO COc1cc(Br)cc(C[NH2+]CCCOc2ccccn2)c1OC(C)C ZINC000113396456 559179901 /nfs/dbraw/zinc/17/99/01/559179901.db2.gz APNFCHIEWBBTON-UHFFFAOYSA-N 1 0 409.324 4.199 50 0 HIAARO C[NH+](C)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(F)cc2s1 ZINC000005115283 559247263 /nfs/dbraw/zinc/24/72/63/559247263.db2.gz GKXQURYDFOKQCY-UHFFFAOYSA-N 1 0 400.504 4.254 50 0 HIAARO COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248154676 559265712 /nfs/dbraw/zinc/26/57/12/559265712.db2.gz HTQWRLSEVGPVIZ-UGKGYDQZSA-N 1 0 418.578 4.234 50 0 HIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCN(Cc2c(F)ccc(F)c2F)C1 ZINC000011935825 559268641 /nfs/dbraw/zinc/26/86/41/559268641.db2.gz UNAQTRYZFHWIFL-HNNXBMFYSA-N 1 0 414.431 4.345 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3cccc(C)c3)nc21 ZINC000005256892 560550752 /nfs/dbraw/zinc/55/07/52/560550752.db2.gz ZKGMSNLYKRDRCJ-UHFFFAOYSA-N 1 0 403.935 4.475 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000017793900 560728351 /nfs/dbraw/zinc/72/83/51/560728351.db2.gz KTGBTZFVHKFYMW-NRFANRHFSA-N 1 0 413.949 4.280 50 0 HIAARO CN(CCc1ccccc1)N1c2ccccc2[C@@](CC[NH+](C)C)(c2ccccc2)C1=O ZINC000005689092 560784432 /nfs/dbraw/zinc/78/44/32/560784432.db2.gz NEVKWTGHBMPLGE-HHHXNRCGSA-N 1 0 413.565 4.361 50 0 HIAARO Cc1ccc(N2C(=O)c3ccccc3/C(=C/NCC(C)(C)C[NH+](C)C)C2=O)cc1C ZINC000105323046 560870717 /nfs/dbraw/zinc/87/07/17/560870717.db2.gz UFKGWBSFDJFBNC-HMAPJEAMSA-N 1 0 405.542 4.009 50 0 HIAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000107497321 560896506 /nfs/dbraw/zinc/89/65/06/560896506.db2.gz VBHYESBBZOKLMW-ZTFGCOKTSA-N 1 0 402.926 4.316 50 0 HIAARO Fc1cccc(-c2noc([C@@H]3CCCN([C@@H]4CC[N@H+](CCc5ccccc5)C4)C3)n2)c1 ZINC000108171255 560898351 /nfs/dbraw/zinc/89/83/51/560898351.db2.gz JWRJTAHOCNAGTF-FYYLOGMGSA-N 1 0 420.532 4.372 50 0 HIAARO CCn1c(C)cc(O)c([C@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697396 568415460 /nfs/dbraw/zinc/41/54/60/568415460.db2.gz LOYKXRPFYRASQW-VWLOTQADSA-N 1 0 417.553 4.321 50 0 HIAARO COc1cc(Br)cc(CNCCC[NH+](C)C)c1OCc1ccccc1 ZINC000010435608 568416278 /nfs/dbraw/zinc/41/62/78/568416278.db2.gz FKHWXPKXOBQCHV-UHFFFAOYSA-N 1 0 407.352 4.078 50 0 HIAARO CCCc1nn2c(nc(C[N@@H+](Cc3ccc(OCC)cc3)CC(C)C)cc2=O)s1 ZINC000046032487 568424784 /nfs/dbraw/zinc/42/47/84/568424784.db2.gz NSBFCOVBFVQEEM-UHFFFAOYSA-N 1 0 414.575 4.160 50 0 HIAARO Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000055531324 568489015 /nfs/dbraw/zinc/48/90/15/568489015.db2.gz JWNSEMFKIVQKFX-UHFFFAOYSA-N 1 0 415.537 4.335 50 0 HIAARO O=c1oc2ccccc2n1CN(CC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000024974268 568516550 /nfs/dbraw/zinc/51/65/50/568516550.db2.gz RNCCPRLWSQYIDU-UHFFFAOYSA-N 1 0 419.447 4.081 50 0 HIAARO CSc1ccccc1NC(=O)C[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095408408 568606366 /nfs/dbraw/zinc/60/63/66/568606366.db2.gz ZDYZILVCRXFEFK-UHFFFAOYSA-N 1 0 407.580 4.115 50 0 HIAARO CCOc1cc(CN2CCC[N@@H+](C(C)C)CC2)cc(Br)c1OC(F)F ZINC000095453825 568615933 /nfs/dbraw/zinc/61/59/33/568615933.db2.gz GKHZIAOIIOTYKL-UHFFFAOYSA-N 1 0 421.326 4.365 50 0 HIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)CSc2nncs2)cc1)C[C@H]1CCCCO1 ZINC000095461569 568620808 /nfs/dbraw/zinc/62/08/08/568620808.db2.gz FTUAVTNXHCSZMV-GOSISDBHSA-N 1 0 420.604 4.048 50 0 HIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)CSc2nncs2)cc1)C[C@@H]1CCCCO1 ZINC000095461568 568620898 /nfs/dbraw/zinc/62/08/98/568620898.db2.gz FTUAVTNXHCSZMV-SFHVURJKSA-N 1 0 420.604 4.048 50 0 HIAARO COc1cc(OC)c(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1Cl ZINC000020889889 568647803 /nfs/dbraw/zinc/64/78/03/568647803.db2.gz FMUNXLUQSCLFIJ-KRWDZBQOSA-N 1 0 417.937 4.309 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(F)ccc1Br ZINC000225553372 568650394 /nfs/dbraw/zinc/65/03/94/568650394.db2.gz IJOXLZQWMNLCHG-APWZRJJASA-N 1 0 403.295 4.345 50 0 HIAARO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945471 568663604 /nfs/dbraw/zinc/66/36/04/568663604.db2.gz OVCPNPRBEQLVDK-NQIIRXRSSA-N 1 0 402.583 4.028 50 0 HIAARO CC(C)[S@@](=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000225758947 568671850 /nfs/dbraw/zinc/67/18/50/568671850.db2.gz MTFBKAWOTQJTNJ-KPURRNSFSA-N 1 0 412.599 4.233 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000021174799 568676879 /nfs/dbraw/zinc/67/68/79/568676879.db2.gz USKZRQPAGJUIFU-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO CCOC(=O)Cc1ccc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718206 568750458 /nfs/dbraw/zinc/75/04/58/568750458.db2.gz XYWNAYPDYVBNCJ-KDURUIRLSA-N 1 0 415.578 4.014 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056806249 568816781 /nfs/dbraw/zinc/81/67/81/568816781.db2.gz WQEGNSWANANEOM-FQEVSTJZSA-N 1 0 417.912 4.267 50 0 HIAARO Clc1cccc(Cn2nc(C[NH2+]CCOc3ccccn3)c(-c3ccccc3)n2)c1 ZINC000261491644 568820254 /nfs/dbraw/zinc/82/02/54/568820254.db2.gz AYONYJBABSYYNU-UHFFFAOYSA-N 1 0 419.916 4.210 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000002948949 568820493 /nfs/dbraw/zinc/82/04/93/568820493.db2.gz FHXFINZWTHVVRC-UHFFFAOYSA-N 1 0 423.586 4.366 50 0 HIAARO Cc1cccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012467247 568838056 /nfs/dbraw/zinc/83/80/56/568838056.db2.gz FFJCVHKDDRETDX-XMMPIXPASA-N 1 0 421.585 4.232 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000057488151 568843444 /nfs/dbraw/zinc/84/34/44/568843444.db2.gz KKYXKVSFRCMMRQ-VGSWGCGISA-N 1 0 403.482 4.317 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063902 568853298 /nfs/dbraw/zinc/85/32/98/568853298.db2.gz QDBQYHHHPMSIHH-WPGBELRESA-N 1 0 421.566 4.376 50 0 HIAARO Cc1oc(NC(=O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000057688714 568858415 /nfs/dbraw/zinc/85/84/15/568858415.db2.gz PXOUPSLIHBTPOL-NRFANRHFSA-N 1 0 410.518 4.182 50 0 HIAARO NC(=[NH2+])Sc1cn(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000003866099 568869027 /nfs/dbraw/zinc/86/90/27/568869027.db2.gz NFOPJZBASWYXCY-UHFFFAOYSA-N 1 0 406.433 4.076 50 0 HIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052979 568872343 /nfs/dbraw/zinc/87/23/43/568872343.db2.gz FHWCVDLJGBHESL-BZPMIXESSA-N 1 0 421.173 4.214 50 0 HIAARO COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2[nH]c(CC(C)C)nc2c1 ZINC000263588156 568883447 /nfs/dbraw/zinc/88/34/47/568883447.db2.gz PWFVJDMLBHKJOQ-UHFFFAOYSA-N 1 0 420.513 4.380 50 0 HIAARO C[C@H](NC(=O)NCc1ccccc1CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000058158657 568893812 /nfs/dbraw/zinc/89/38/12/568893812.db2.gz MPUXRJPKFACMIO-FQEVSTJZSA-N 1 0 416.569 4.148 50 0 HIAARO COc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000030988842 568907645 /nfs/dbraw/zinc/90/76/45/568907645.db2.gz MVVXZWSJDNRDLY-SFHVURJKSA-N 1 0 417.575 4.038 50 0 HIAARO O=C(NCc1ccccc1)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000031096120 568913069 /nfs/dbraw/zinc/91/30/69/568913069.db2.gz QQQOENIGIBKZGV-UHFFFAOYSA-N 1 0 414.553 4.008 50 0 HIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000012733719 568923962 /nfs/dbraw/zinc/92/39/62/568923962.db2.gz RDICRARXIWNYKO-UHFFFAOYSA-N 1 0 408.521 4.400 50 0 HIAARO COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000004041190 568935907 /nfs/dbraw/zinc/93/59/07/568935907.db2.gz OGMOAZOYJFBAAJ-YQIZHETESA-N 1 0 413.558 4.150 50 0 biogenic HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000004084602 568939966 /nfs/dbraw/zinc/93/99/66/568939966.db2.gz JHZIHHYUBZAJMF-FSIRCMOZSA-N 1 0 400.607 4.251 50 0 biogenic HIAARO Cc1ccc(-n2ncc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-n2cccc2)cc1 ZINC000015681372 568967956 /nfs/dbraw/zinc/96/79/56/568967956.db2.gz SEZQMYWDIKQNCC-UHFFFAOYSA-N 1 0 417.557 4.062 50 0 HIAARO COc1ccc(-c2nc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000008036304 568969820 /nfs/dbraw/zinc/96/98/20/568969820.db2.gz KKHYQIFDBOBCQN-UHFFFAOYSA-N 1 0 421.566 4.142 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2csc(-c3cccs3)n2)[NH+]2CCCC2)cc1 ZINC000008129922 568975014 /nfs/dbraw/zinc/97/50/14/568975014.db2.gz HMYPCBFNURPYPB-GOSISDBHSA-N 1 0 413.568 4.447 50 0 HIAARO CCc1ccc2c(CC(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)coc2c1 ZINC000008229572 568983319 /nfs/dbraw/zinc/98/33/19/568983319.db2.gz FKUWITPYZNJJHK-HSZRJFAPSA-N 1 0 406.526 4.500 50 0 HIAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccccc4c4c3CCCC4)CC2)cc1 ZINC000020472831 569008038 /nfs/dbraw/zinc/00/80/38/569008038.db2.gz FRJDIJHVPUNNDD-QFIPXVFZSA-N 1 0 403.570 4.012 50 0 HIAARO Cc1ccc(CN2CCN(Cc3nc4ccccc4n3CCC(C)C)C[C@H]2CCO)o1 ZINC000107100234 569009225 /nfs/dbraw/zinc/00/92/25/569009225.db2.gz HGMOAZWCENUUOM-OAQYLSRUSA-N 1 0 424.589 4.053 50 0 HIAARO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)NC1c2ccccc2-c2ccccc21 ZINC000012918452 569022683 /nfs/dbraw/zinc/02/26/83/569022683.db2.gz SEZITSWDIHUNAV-MHZLTWQESA-N 1 0 412.533 4.318 50 0 HIAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C)cc2)cc1 ZINC000035372532 569033912 /nfs/dbraw/zinc/03/39/12/569033912.db2.gz NZDIYZUPGJGORM-UHFFFAOYSA-N 1 0 420.582 4.298 50 0 HIAARO O=C(NC(c1ccccc1)c1ccccc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575618239 569037710 /nfs/dbraw/zinc/03/77/10/569037710.db2.gz UNGURXZGOQTQOI-UHFFFAOYSA-N 1 0 409.599 4.389 50 0 HIAARO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc32)c1 ZINC000035559982 569044921 /nfs/dbraw/zinc/04/49/21/569044921.db2.gz BOSRAWQXMZORNM-IBGZPJMESA-N 1 0 420.557 4.088 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559911 569044923 /nfs/dbraw/zinc/04/49/23/569044923.db2.gz JTQIMXIRPCYUGB-QGZVFWFLSA-N 1 0 410.949 4.342 50 0 HIAARO COc1ccc(CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1OC ZINC000001750069 569051891 /nfs/dbraw/zinc/05/18/91/569051891.db2.gz JDEYWFJUEBINPN-LJQANCHMSA-N 1 0 404.510 4.005 50 0 HIAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000242263393 569055043 /nfs/dbraw/zinc/05/50/43/569055043.db2.gz XYRCZVNVNFDVGA-CVDCTZTESA-N 1 0 419.569 4.268 50 0 HIAARO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000089518948 569062742 /nfs/dbraw/zinc/06/27/42/569062742.db2.gz SUTCPEASIKLNNV-DVECYGJZSA-N 1 0 407.558 4.203 50 0 HIAARO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1OCCO2 ZINC000064532032 569066067 /nfs/dbraw/zinc/06/60/67/569066067.db2.gz APZXJWMQJWOPSN-UHFFFAOYSA-N 1 0 423.435 4.072 50 0 HIAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc12 ZINC000089568269 569070392 /nfs/dbraw/zinc/07/03/92/569070392.db2.gz ODWWAIFQJCTBOX-UHFFFAOYSA-N 1 0 423.517 4.303 50 0 HIAARO O=C(NCCC[NH+]1CCN(c2ccccc2C(F)(F)F)CC1)Nc1ccccc1 ZINC000005050239 569071578 /nfs/dbraw/zinc/07/15/78/569071578.db2.gz FXBNJZVYMNHQCL-UHFFFAOYSA-N 1 0 406.452 4.039 50 0 HIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000426712611 569074041 /nfs/dbraw/zinc/07/40/41/569074041.db2.gz JPMZNVVBNQETJA-DEOSSOPVSA-N 1 0 409.480 4.461 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036096009 569090108 /nfs/dbraw/zinc/09/01/08/569090108.db2.gz RLNAVOMFYCYAKV-QHCPKHFHSA-N 1 0 409.501 4.449 50 0 HIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccccc1 ZINC000036104599 569092549 /nfs/dbraw/zinc/09/25/49/569092549.db2.gz SAIRGQWXUIOTKJ-XMMPIXPASA-N 1 0 419.521 4.304 50 0 HIAARO COc1cccc(Oc2c(C[N@H+](C[C@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305450 569129563 /nfs/dbraw/zinc/12/95/63/569129563.db2.gz FYSCYPSUZWJGJB-SFHVURJKSA-N 1 0 409.530 4.479 50 0 HIAARO CC(C)c1nc2ccc(C(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)cc2o1 ZINC000064968403 569137973 /nfs/dbraw/zinc/13/79/73/569137973.db2.gz IUSPNHIOQPJLQK-UHFFFAOYSA-N 1 0 412.578 4.021 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2ccc(C)c(NC(=O)c3nsc4ccccc43)c2)CC1 ZINC000064972664 569139711 /nfs/dbraw/zinc/13/97/11/569139711.db2.gz YLXDGDWXXJTYQJ-UHFFFAOYSA-N 1 0 422.554 4.025 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3F)C2)c1 ZINC000036341522 569142008 /nfs/dbraw/zinc/14/20/08/569142008.db2.gz FBNLNXKWUIVBNV-SBUREZEXSA-N 1 0 409.505 4.386 50 0 HIAARO Cc1c2ccccc2oc1-c1noc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000065009874 569153413 /nfs/dbraw/zinc/15/34/13/569153413.db2.gz JJTLRFYMTGEBED-UHFFFAOYSA-N 1 0 416.481 4.186 50 0 HIAARO COc1ccc([C@H]([NH2+]CCCn2cccn2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606810 569244777 /nfs/dbraw/zinc/24/47/77/569244777.db2.gz QOUREQAGFOXTLT-RTWAWAEBSA-N 1 0 414.550 4.012 50 0 HIAARO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000016993877 569270901 /nfs/dbraw/zinc/27/09/01/569270901.db2.gz ZARGHPFYAMMOSH-XMMPIXPASA-N 1 0 422.525 4.334 50 0 HIAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000252477925 569288655 /nfs/dbraw/zinc/28/86/55/569288655.db2.gz XVCGPRDEXSZEKB-OXQOHEQNSA-N 1 0 406.448 4.111 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 ZINC000252506275 569291314 /nfs/dbraw/zinc/29/13/14/569291314.db2.gz VYEIUIXHQUWELX-GOSISDBHSA-N 1 0 403.404 4.393 50 0 HIAARO CCc1nc2sc3c(ncnc3NCC[NH+](CC)CC)c2c2c1COC(C)(C)C2 ZINC000002272253 569327553 /nfs/dbraw/zinc/32/75/53/569327553.db2.gz OKCLTJLKMFOCPA-UHFFFAOYSA-N 1 0 413.591 4.407 50 0 HIAARO CCSc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818671 569363662 /nfs/dbraw/zinc/36/36/62/569363662.db2.gz DMMSQXQYGREHOE-QFIPXVFZSA-N 1 0 418.557 4.355 50 0 HIAARO CC(C)c1sc(-n2cccc2)nc1C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253412713 569366732 /nfs/dbraw/zinc/36/67/32/569366732.db2.gz RUAWMKCZIHIMQT-ZWKOTPCHSA-N 1 0 400.592 4.394 50 0 HIAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1Br ZINC000007941393 569401846 /nfs/dbraw/zinc/40/18/46/569401846.db2.gz ZFYGINRVCHESLT-UHFFFAOYSA-N 1 0 417.347 4.374 50 0 HIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)C1 ZINC000013369588 569412633 /nfs/dbraw/zinc/41/26/33/569412633.db2.gz BELAQFGKSPUPNO-PMACEKPBSA-N 1 0 404.558 4.188 50 0 HIAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000078957087 569422145 /nfs/dbraw/zinc/42/21/45/569422145.db2.gz SDLCISJRRDQBBD-HNNXBMFYSA-N 1 0 421.335 4.225 50 0 HIAARO CC1CC[NH+](CCCCNC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC000079015060 569423784 /nfs/dbraw/zinc/42/37/84/569423784.db2.gz RJNBMFFOPFVFSU-UHFFFAOYSA-N 1 0 424.545 4.211 50 0 HIAARO COc1ccc(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000079061136 569426288 /nfs/dbraw/zinc/42/62/88/569426288.db2.gz HQUSUDNYXREKIB-UHFFFAOYSA-N 1 0 404.230 4.073 50 0 HIAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000079073942 569427028 /nfs/dbraw/zinc/42/70/28/569427028.db2.gz GZCGRJAKVZIYOK-JOCHJYFZSA-N 1 0 415.622 4.210 50 0 HIAARO Cn1ccnc1Sc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000040104362 571165243 /nfs/dbraw/zinc/16/52/43/571165243.db2.gz HNMXJANIVXMBSF-SFHVURJKSA-N 1 0 411.531 4.123 50 0 HIAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C1 ZINC000040107134 571167649 /nfs/dbraw/zinc/16/76/49/571167649.db2.gz RTTVBCDUHXWPSZ-KRWDZBQOSA-N 1 0 409.555 4.494 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)c(C)c2)CC1 ZINC000040116472 571173926 /nfs/dbraw/zinc/17/39/26/571173926.db2.gz GXNABQNIMHVSIQ-UHFFFAOYSA-N 1 0 421.463 4.173 50 0 HIAARO CN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000040121603 571177539 /nfs/dbraw/zinc/17/75/39/571177539.db2.gz JJTWQJAOSRQUIR-UHFFFAOYSA-N 1 0 406.452 4.121 50 0 HIAARO C[C@@H]1C[N@H+](C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C[C@H](C)O1 ZINC000040135261 571188348 /nfs/dbraw/zinc/18/83/48/571188348.db2.gz YOLYATPFCWUWJN-CALCHBBNSA-N 1 0 408.571 4.436 50 0 HIAARO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245276331 571222369 /nfs/dbraw/zinc/22/23/69/571222369.db2.gz SUXNLXCDPSSYAD-RTWAWAEBSA-N 1 0 406.979 4.452 50 0 HIAARO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000245318949 571224544 /nfs/dbraw/zinc/22/45/44/571224544.db2.gz XYHSURUPEXRGRV-XKPYVIEYSA-N 1 0 406.998 4.054 50 0 HIAARO C[NH+](C)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc2c(cccc2F)s1 ZINC000009151912 571230751 /nfs/dbraw/zinc/23/07/51/571230751.db2.gz OITDICHLDNEQNA-UHFFFAOYSA-N 1 0 421.925 4.453 50 0 HIAARO COc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C2CC[NH2+]CC2)cc1 ZINC000009227348 571239213 /nfs/dbraw/zinc/23/92/13/571239213.db2.gz DMJPHJWNWCEAPL-UHFFFAOYSA-N 1 0 410.905 4.254 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)Nc1cccc(N2CCCC2)c1)[NH+]1CCCC1 ZINC000069946289 571250749 /nfs/dbraw/zinc/25/07/49/571250749.db2.gz LLDUBTKQLGRYAA-QFIPXVFZSA-N 1 0 408.546 4.254 50 0 HIAARO C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000070017084 571254439 /nfs/dbraw/zinc/25/44/39/571254439.db2.gz LJHYLPHFJQFPJK-NRFANRHFSA-N 1 0 406.570 4.400 50 0 HIAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3C)n2)CC1 ZINC000009573520 571269348 /nfs/dbraw/zinc/26/93/48/571269348.db2.gz BKEOCQPHLORQOK-UHFFFAOYSA-N 1 0 413.529 4.009 50 0 HIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4ccccc4C)CC3)n2)cc1OC ZINC000009726887 571282471 /nfs/dbraw/zinc/28/24/71/571282471.db2.gz MXIHGQXIPUGWQP-UHFFFAOYSA-N 1 0 422.529 4.386 50 0 HIAARO Cc1ccc(C)c2sc(N(C)CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)nc21 ZINC000070973950 571284069 /nfs/dbraw/zinc/28/40/69/571284069.db2.gz MEPRIWLILRTDKX-UHFFFAOYSA-N 1 0 422.598 4.130 50 0 HIAARO O=C(Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)c1cccs1 ZINC000009950742 571291455 /nfs/dbraw/zinc/29/14/55/571291455.db2.gz VRSAXOSAOXEJOF-FQEVSTJZSA-N 1 0 405.523 4.005 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(CCC[NH+](C)C)C3=O ZINC000010233074 571297482 /nfs/dbraw/zinc/29/74/82/571297482.db2.gz YGFAWCSPNXWRMY-FQEVSTJZSA-N 1 0 410.901 4.252 50 0 HIAARO COc1cccc(OC)c1C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010330554 571300528 /nfs/dbraw/zinc/30/05/28/571300528.db2.gz GMEBUEYAHGAWNG-NRFANRHFSA-N 1 0 404.510 4.424 50 0 HIAARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c1C ZINC000010334165 571300847 /nfs/dbraw/zinc/30/08/47/571300847.db2.gz BLCUJSWQKZXPPY-XMMPIXPASA-N 1 0 415.537 4.348 50 0 HIAARO COCc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011839293 845838340 /nfs/dbraw/zinc/83/83/40/845838340.db2.gz ZSIVGQXXEYMBMN-GOSISDBHSA-N 1 0 404.938 4.106 50 0 HIAARO Cc1nc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3ccsc3)c2)cs1 ZINC000011910478 845840054 /nfs/dbraw/zinc/84/00/54/845840054.db2.gz IWVZCEKWSCKVMY-HNNXBMFYSA-N 1 0 415.584 4.342 50 0 HIAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000011972592 845844937 /nfs/dbraw/zinc/84/49/37/845844937.db2.gz OOSAILKVHOEIKN-LJQANCHMSA-N 1 0 413.587 4.096 50 0 HIAARO Fc1ccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1 ZINC000011982715 845845494 /nfs/dbraw/zinc/84/54/94/845845494.db2.gz PIWSIDGLSKJGQY-SFHVURJKSA-N 1 0 418.557 4.322 50 0 HIAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH+](Cc1ccncc1)CC2 ZINC000012163633 845856779 /nfs/dbraw/zinc/85/67/79/845856779.db2.gz LTDQZFRCAAFXFJ-LJQANCHMSA-N 1 0 403.448 4.019 50 0 HIAARO COC(=O)c1sc2nc(C[NH+]3CCCCCC3)ccc2c1NC(=O)c1ccco1 ZINC000012244012 845861505 /nfs/dbraw/zinc/86/15/05/845861505.db2.gz POOFHTLNAPDERW-UHFFFAOYSA-N 1 0 413.499 4.304 50 0 HIAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@H]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000012242415 845861758 /nfs/dbraw/zinc/86/17/58/845861758.db2.gz XNXWJALHWZCPIS-NQIIRXRSSA-N 1 0 403.530 4.046 50 0 HIAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@H]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000012242416 845861835 /nfs/dbraw/zinc/86/18/35/845861835.db2.gz XNXWJALHWZCPIS-RXVVDRJESA-N 1 0 403.530 4.046 50 0 HIAARO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c2ccccc2n1 ZINC000012314116 845867169 /nfs/dbraw/zinc/86/71/69/845867169.db2.gz MAQPWSDINPGCLT-HXUWFJFHSA-N 1 0 403.526 4.023 50 0 HIAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012430300 845870325 /nfs/dbraw/zinc/87/03/25/845870325.db2.gz FZXUDWMLIJHVPM-QGZVFWFLSA-N 1 0 414.550 4.152 50 0 HIAARO Cc1c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cnn1-c1ccccn1 ZINC000012449152 845871406 /nfs/dbraw/zinc/87/14/06/845871406.db2.gz LPPLXRJXPGYZAE-SFHVURJKSA-N 1 0 403.530 4.053 50 0 HIAARO COc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1C ZINC000012584310 845877108 /nfs/dbraw/zinc/87/71/08/845877108.db2.gz FRWDYBOOXBTQOY-UHFFFAOYSA-N 1 0 408.542 4.283 50 0 HIAARO Cc1nc(C)c(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)s1 ZINC000012580580 845877415 /nfs/dbraw/zinc/87/74/15/845877415.db2.gz YZHZFECWMFPXGE-UHFFFAOYSA-N 1 0 405.995 4.440 50 0 HIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000012712376 845884865 /nfs/dbraw/zinc/88/48/65/845884865.db2.gz VHRYEAHPBUNYCB-GOSISDBHSA-N 1 0 402.454 4.334 50 0 HIAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(-n4cccn4)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000012745016 845889002 /nfs/dbraw/zinc/88/90/02/845889002.db2.gz CCICWLBMFFYZBI-GVUKDKGQSA-N 1 0 412.537 4.119 50 0 HIAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3C)cc1 ZINC000014540752 845956799 /nfs/dbraw/zinc/95/67/99/845956799.db2.gz INJYZYXAPSKBLK-UHFFFAOYSA-N 1 0 405.542 4.299 50 0 HIAARO COc1ccc(CN2CC[N@@H+]([C@@H](C)CCc3c[nH]c4ccccc34)CCC2=O)cc1 ZINC000014958287 845994673 /nfs/dbraw/zinc/99/46/73/845994673.db2.gz VYQDVNHTOFEZJD-IBGZPJMESA-N 1 0 405.542 4.232 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccsc3)C2)c(OC)c1 ZINC000014957659 845994836 /nfs/dbraw/zinc/99/48/36/845994836.db2.gz YNNONQLKRIWTNE-QGZVFWFLSA-N 1 0 402.560 4.074 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1Cl ZINC000018015882 846284873 /nfs/dbraw/zinc/28/48/73/846284873.db2.gz BSPFTCUEPBCHFR-SFHVURJKSA-N 1 0 417.962 4.197 50 0 HIAARO O=C(Nc1ccc2c(c1)C[N@@H+](CCCn1cccn1)CC2)C1(c2ccccc2)CC1 ZINC000019760004 846372139 /nfs/dbraw/zinc/37/21/39/846372139.db2.gz ZCJHKZYZKKVHOD-UHFFFAOYSA-N 1 0 400.526 4.002 50 0 HIAARO COc1ccc(-n2ccnc2CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000019742103 846372886 /nfs/dbraw/zinc/37/28/86/846372886.db2.gz RGMXJUISZKGWQC-HSZRJFAPSA-N 1 0 404.558 4.020 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020203259 846382949 /nfs/dbraw/zinc/38/29/49/846382949.db2.gz AQHGNHYAFSNFED-DOHLAZSCSA-N 1 0 409.549 4.134 50 0 HIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+]2CCC[C@@H](c3nncn3C)C2)o1 ZINC000020513384 846385585 /nfs/dbraw/zinc/38/55/85/846385585.db2.gz QPZYGUAJJFGBKI-QGZVFWFLSA-N 1 0 420.492 4.088 50 0 HIAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3C[C@@H](C(=O)NC(C)C)N(C(C)C)C3)ccc21 ZINC000020997176 846398649 /nfs/dbraw/zinc/39/86/49/846398649.db2.gz GOEDATDPNPSFKF-NLFFAJNJSA-N 1 0 420.601 4.280 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](O)CCc3ccccc3)CC2)c(F)c1 ZINC000023339824 846686927 /nfs/dbraw/zinc/68/69/27/846686927.db2.gz HQWRGPGUEZPOJY-DEOSSOPVSA-N 1 0 423.532 4.430 50 0 HIAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000047634836 849087711 /nfs/dbraw/zinc/08/77/11/849087711.db2.gz WMNAIFIZYWSPJN-ZDUSSCGKSA-N 1 0 417.775 4.106 50 0 HIAARO CSc1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132428 849975325 /nfs/dbraw/zinc/97/53/25/849975325.db2.gz LGPOYAFFIWSAFG-SFHVURJKSA-N 1 0 405.011 4.238 50 0 HIAARO Cc1cc(NC(=O)/C=C\c2ccccc2OC(F)F)ccc1N1CC[NH+](C)CC1 ZINC000096936894 852559076 /nfs/dbraw/zinc/55/90/76/852559076.db2.gz HDLOJDVYONXOMV-YFHOEESVSA-N 1 0 401.457 4.000 50 0 HIAARO C[C@@H](Cc1ccsc1)NC(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104297055 852670605 /nfs/dbraw/zinc/67/06/05/852670605.db2.gz IWXYILNIKHLHEK-FDDCHVKYSA-N 1 0 406.551 4.431 50 0 HIAARO CC1CCN(C(=O)c2ccccc2OC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000169765036 853658438 /nfs/dbraw/zinc/65/84/38/853658438.db2.gz UGHDSZJEWHCFCU-JOCHJYFZSA-N 1 0 407.558 4.245 50 0 HIAARO O=C(c1ccoc1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776685 853663845 /nfs/dbraw/zinc/66/38/45/853663845.db2.gz YTDYEWZTTNFQTM-JOCHJYFZSA-N 1 0 412.505 4.237 50 0 HIAARO Cc1nnc([C@H]2CC3(CN2C(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257187122 854233735 /nfs/dbraw/zinc/23/37/35/854233735.db2.gz LJERTJPGNOFWMJ-JOCHJYFZSA-N 1 0 416.525 4.248 50 0 HIAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CN1Cc1cccc2ccccc21 ZINC000299801315 854281749 /nfs/dbraw/zinc/28/17/49/854281749.db2.gz ZJBJMRBEKINKGJ-QPPBQGQZSA-N 1 0 421.972 4.362 50 0 HIAARO Cn1cccc1C[N@@H+]1CC[C@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000575314387 948642602 /nfs/dbraw/zinc/64/26/02/948642602.db2.gz JFEHPYYOBRNYRI-FQEVSTJZSA-N 1 0 400.482 4.395 50 0 HIAARO O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000004299578 132274396 /nfs/dbraw/zinc/27/43/96/132274396.db2.gz KULJWIMKNZHLIB-WOJBJXKFSA-N 1 0 408.571 4.220 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC(=O)c1ccc(Cl)s1 ZINC000006912276 132320365 /nfs/dbraw/zinc/32/03/65/132320365.db2.gz HIIQOSBSGGXRQL-UHFFFAOYSA-N 1 0 405.951 4.063 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)s3)cc2C)CC1 ZINC000007990672 132326906 /nfs/dbraw/zinc/32/69/06/132326906.db2.gz ANTKVYWZXWKHFW-UHFFFAOYSA-N 1 0 408.365 4.213 50 0 HIAARO O=C([C@@H]1CC12CC[NH+](CCCc1ccccc1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012052463 132353231 /nfs/dbraw/zinc/35/32/31/132353231.db2.gz IIALXKUFEWLNGX-VWLOTQADSA-N 1 0 417.597 4.070 50 0 HIAARO Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012553984 132363440 /nfs/dbraw/zinc/36/34/40/132363440.db2.gz YAMHFQJQSGJBLW-INIZCTEOSA-N 1 0 421.463 4.172 50 0 HIAARO CCOCCC[NH2+]Cc1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000040742843 519897439 /nfs/dbraw/zinc/89/74/39/519897439.db2.gz KRLHZIGVQDFQNC-UHFFFAOYSA-N 1 0 420.937 4.191 50 0 HIAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OC(C)C ZINC000040729080 520719717 /nfs/dbraw/zinc/71/97/17/520719717.db2.gz IKIUYABJGCEASU-GOSISDBHSA-N 1 0 408.336 4.458 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccsc1 ZINC000031984406 520836823 /nfs/dbraw/zinc/83/68/23/520836823.db2.gz XHGUWKCKYLFESD-IBGZPJMESA-N 1 0 419.978 4.341 50 0 HIAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OC(C)C ZINC000040728884 522463595 /nfs/dbraw/zinc/46/35/95/522463595.db2.gz RHFSRCBTBACWAS-UHFFFAOYSA-N 1 0 408.292 4.263 50 0 HIAARO COc1cccc([C@@H](CNC(=O)Nc2ccccc2Br)[NH+]2CCCC2)c1 ZINC000032925334 524095094 /nfs/dbraw/zinc/09/50/94/524095094.db2.gz QUGMXOXYRBAEQU-LJQANCHMSA-N 1 0 418.335 4.416 50 0 HIAARO Cc1cccc(-n2cc(C[NH2+][C@@H](C)Cc3cnccn3)c(-c3cccc(F)c3)n2)c1 ZINC000020537088 524144791 /nfs/dbraw/zinc/14/47/91/524144791.db2.gz BGWANOFGZOUSFG-SFHVURJKSA-N 1 0 401.489 4.498 50 0 HIAARO Cc1cccc(-n2cc(C[NH2+][C@H](C)Cc3cnccn3)c(-c3cccc(F)c3)n2)c1 ZINC000020537090 524145417 /nfs/dbraw/zinc/14/54/17/524145417.db2.gz BGWANOFGZOUSFG-GOSISDBHSA-N 1 0 401.489 4.498 50 0 HIAARO COc1cccc([C@H](CNC(=O)Nc2ccccc2Br)[NH+]2CCCC2)c1 ZINC000032925336 524159708 /nfs/dbraw/zinc/15/97/08/524159708.db2.gz QUGMXOXYRBAEQU-IBGZPJMESA-N 1 0 418.335 4.416 50 0 HIAARO COc1ccccc1CC[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020576893 524422162 /nfs/dbraw/zinc/42/21/62/524422162.db2.gz ZNLFUIASWCIADE-UHFFFAOYSA-N 1 0 411.575 4.050 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000032870697 524626741 /nfs/dbraw/zinc/62/67/41/524626741.db2.gz XYCAXPDNIDPMAE-HDICACEKSA-N 1 0 409.530 4.254 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2CNCCC[NH+](C)C)cc1 ZINC000040720181 525070741 /nfs/dbraw/zinc/07/07/41/525070741.db2.gz YQNTXUFOUQMJFV-UHFFFAOYSA-N 1 0 405.542 4.207 50 0 HIAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCSc1nnnn1C ZINC000040744833 525175837 /nfs/dbraw/zinc/17/58/37/525175837.db2.gz NAEFGMZYSNIPME-UHFFFAOYSA-N 1 0 417.966 4.023 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2cccc(C(F)(F)F)c2)[NH+]2CCCC2)cc1 ZINC000032960847 525183335 /nfs/dbraw/zinc/18/33/35/525183335.db2.gz XMCXIDPIQSHZLL-HXUWFJFHSA-N 1 0 422.447 4.046 50 0 HIAARO OCC[NH2+]CCNCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000040720112 527554010 /nfs/dbraw/zinc/55/40/10/527554010.db2.gz NDDGVIOOZBBBCH-UHFFFAOYSA-N 1 0 419.352 4.397 50 0 HIAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CC[NH+](C2CCCCC2)CC1 ZINC000005348550 536970345 /nfs/dbraw/zinc/97/03/45/536970345.db2.gz ZGFDBFUDENDVFD-UHFFFAOYSA-N 1 0 419.573 4.476 50 0 HIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COCCOc1ccc(Br)cc1 ZINC000002082532 557310545 /nfs/dbraw/zinc/31/05/45/557310545.db2.gz AMWRRGYURMZDDM-QGZVFWFLSA-N 1 0 414.384 4.249 50 0 HIAARO O=C(c1ccc(Br)cc1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515229 557354083 /nfs/dbraw/zinc/35/40/83/557354083.db2.gz NCZVPKGJVGIRRE-UHFFFAOYSA-N 1 0 416.315 4.019 50 0 HIAARO O=C(NCc1ccco1)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711118 557390345 /nfs/dbraw/zinc/39/03/45/557390345.db2.gz TYWRGVINWJOEPF-WOJBJXKFSA-N 1 0 410.464 4.480 50 0 HIAARO COc1ccc(NC(=O)COc2ccc(C[NH2+]CCc3ccccc3)cc2OC)cc1 ZINC000002886059 557422058 /nfs/dbraw/zinc/42/20/58/557422058.db2.gz NXFOOPXEDQDLMQ-UHFFFAOYSA-N 1 0 420.509 4.054 50 0 HIAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000004664849 557578312 /nfs/dbraw/zinc/57/83/12/557578312.db2.gz GFRXZFCEZIIFSF-MELADBBJSA-N 1 0 401.288 4.099 50 0 HIAARO O=C(COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2)NCc1ccccc1 ZINC000004809915 557599924 /nfs/dbraw/zinc/59/99/24/557599924.db2.gz JDRKSRYZQZRNEU-UHFFFAOYSA-N 1 0 404.554 4.440 50 0 HIAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1cccnc1 ZINC000007274943 557738571 /nfs/dbraw/zinc/73/85/71/557738571.db2.gz UBSDYIHYAJZBBC-UHFFFAOYSA-N 1 0 414.303 4.117 50 0 HIAARO CCOc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000007540274 557746191 /nfs/dbraw/zinc/74/61/91/557746191.db2.gz RJMPHOOZKRLUPD-UHFFFAOYSA-N 1 0 405.527 4.096 50 0 HIAARO COc1ccc2ccccc2c1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000007541363 557746312 /nfs/dbraw/zinc/74/63/12/557746312.db2.gz GRMQQEDUNSHYLV-UHFFFAOYSA-N 1 0 405.527 4.096 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCc3cnn(C)c3)c(-c3ccccc3Cl)n2)cc1 ZINC000019744891 558265521 /nfs/dbraw/zinc/26/55/21/558265521.db2.gz CZQHCJLXXZYXSI-UHFFFAOYSA-N 1 0 421.932 4.267 50 0 HIAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011782272 558274832 /nfs/dbraw/zinc/27/48/32/558274832.db2.gz CGLNVWWRSCOJHW-YVOIMTDZSA-N 1 0 423.605 4.236 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCC(F)(F)F ZINC000011817710 558280950 /nfs/dbraw/zinc/28/09/50/558280950.db2.gz AHSOYHPVSVFVCM-GOSISDBHSA-N 1 0 400.485 4.141 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@H](C)CCCC(C)(C)O ZINC000011819650 558282727 /nfs/dbraw/zinc/28/27/27/558282727.db2.gz MUVZUWRKIQFPIY-LJQANCHMSA-N 1 0 414.594 4.078 50 0 HIAARO COc1ccc(Br)cc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019831856 558291978 /nfs/dbraw/zinc/29/19/78/558291978.db2.gz NZCMQDWBXILBRQ-UHFFFAOYSA-N 1 0 403.364 4.208 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000011910879 558296652 /nfs/dbraw/zinc/29/66/52/558296652.db2.gz ASWXNNSKIUANBN-IBGZPJMESA-N 1 0 406.448 4.385 50 0 HIAARO CCc1ccc(C[NH+]2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)cc1 ZINC000012021911 558309486 /nfs/dbraw/zinc/30/94/86/558309486.db2.gz BVQFANAMKZOEBJ-UHFFFAOYSA-N 1 0 408.542 4.193 50 0 HIAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000012029095 558310596 /nfs/dbraw/zinc/31/05/96/558310596.db2.gz PIVIQIROFKKRGW-QHCPKHFHSA-N 1 0 413.924 4.482 50 0 HIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000012029108 558310632 /nfs/dbraw/zinc/31/06/32/558310632.db2.gz MUHPIYCLCRTNJM-QHCPKHFHSA-N 1 0 401.503 4.040 50 0 HIAARO CCCc1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)no1 ZINC000012031036 558311446 /nfs/dbraw/zinc/31/14/46/558311446.db2.gz WCRFZFRPESKEKX-UHFFFAOYSA-N 1 0 403.954 4.307 50 0 HIAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012049383 558313576 /nfs/dbraw/zinc/31/35/76/558313576.db2.gz CESVNUOWKPJCMA-SANMLTNESA-N 1 0 410.577 4.150 50 0 HIAARO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc(C)c1O ZINC000012057428 558316400 /nfs/dbraw/zinc/31/64/00/558316400.db2.gz UOLHDCATKLVAEK-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012057064 558316440 /nfs/dbraw/zinc/31/64/40/558316440.db2.gz RPRIOXHTTFCIAY-QGZVFWFLSA-N 1 0 410.562 4.005 50 0 HIAARO CSCCC(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012089950 558324013 /nfs/dbraw/zinc/32/40/13/558324013.db2.gz ZKSRXANGAASQME-UHFFFAOYSA-N 1 0 402.526 4.171 50 0 HIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000012094505 558325017 /nfs/dbraw/zinc/32/50/17/558325017.db2.gz CYJCKKJGRWWOMN-IBGZPJMESA-N 1 0 401.514 4.313 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(C)c2)CC1 ZINC000020109769 558335022 /nfs/dbraw/zinc/33/50/22/558335022.db2.gz YQFAAAIRIMYJDZ-GOSISDBHSA-N 1 0 409.357 4.172 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CCN(C)CC2)c(F)c1 ZINC000020206542 558346843 /nfs/dbraw/zinc/34/68/43/558346843.db2.gz LFNBPRDTKLMFSE-UHFFFAOYSA-N 1 0 408.521 4.213 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012196559 558349786 /nfs/dbraw/zinc/34/97/86/558349786.db2.gz JCAYFPQDTGTLFQ-XMMPIXPASA-N 1 0 409.505 4.042 50 0 HIAARO CC(C)[NH2+][C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000012244624 558361183 /nfs/dbraw/zinc/36/11/83/558361183.db2.gz LPNANJKKTOLLJS-HNNXBMFYSA-N 1 0 421.488 4.380 50 0 HIAARO FC(F)(F)c1ccccc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020449301 558364643 /nfs/dbraw/zinc/36/46/43/558364643.db2.gz AYORWNBJHCSFHE-OAQYLSRUSA-N 1 0 403.492 4.492 50 0 HIAARO Cn1cc(C[N@H+](C)CCCN2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000020449753 558364791 /nfs/dbraw/zinc/36/47/91/558364791.db2.gz ZVYQQGAICCFFCL-UHFFFAOYSA-N 1 0 420.557 4.034 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1OC ZINC000020452665 558366801 /nfs/dbraw/zinc/36/68/01/558366801.db2.gz MEQOYFMAOGYJMQ-HSZRJFAPSA-N 1 0 410.558 4.045 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000012298338 558368515 /nfs/dbraw/zinc/36/85/15/558368515.db2.gz XRFQUWFIQRCVSM-UHFFFAOYSA-N 1 0 413.905 4.264 50 0 HIAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000012308606 558376912 /nfs/dbraw/zinc/37/69/12/558376912.db2.gz VJCKUAZDJJNVNB-FQEVSTJZSA-N 1 0 405.542 4.211 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccncc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012315461 558378817 /nfs/dbraw/zinc/37/88/17/558378817.db2.gz HZDZZXMIWYVOMK-UHFFFAOYSA-N 1 0 405.464 4.409 50 0 HIAARO O=C(c1cn(C[NH+]2CCCC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020647467 558397372 /nfs/dbraw/zinc/39/73/72/558397372.db2.gz AJEVIIWVEUYZTB-UHFFFAOYSA-N 1 0 422.960 4.310 50 0 HIAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(CO)o3)CC2)c1 ZINC000012432551 558406627 /nfs/dbraw/zinc/40/66/27/558406627.db2.gz PTFHIJGQOSGQJN-UHFFFAOYSA-N 1 0 420.509 4.298 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012437536 558409322 /nfs/dbraw/zinc/40/93/22/558409322.db2.gz SZUBPVXREJAAFS-LJQANCHMSA-N 1 0 400.563 4.500 50 0 HIAARO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873862 558418285 /nfs/dbraw/zinc/41/82/85/558418285.db2.gz COSBGQFVJCNMEB-UHFFFAOYSA-N 1 0 421.379 4.386 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000012459538 558418815 /nfs/dbraw/zinc/41/88/15/558418815.db2.gz HKRVDOCVVKDHCI-FQEVSTJZSA-N 1 0 410.558 4.321 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874950 558418856 /nfs/dbraw/zinc/41/88/56/558418856.db2.gz RCRVFTILCYELKJ-UHFFFAOYSA-N 1 0 418.965 4.048 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2cn1 ZINC000012472562 558422369 /nfs/dbraw/zinc/42/23/69/558422369.db2.gz VPJKJGUDHNQASZ-FQEVSTJZSA-N 1 0 405.517 4.401 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1)N1CCc2ccccc2C1 ZINC000012481687 558423483 /nfs/dbraw/zinc/42/34/83/558423483.db2.gz BEAVUMWEZNPKEK-UHFFFAOYSA-N 1 0 420.582 4.268 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]CCCCCO)cc1Br ZINC000020927061 558423884 /nfs/dbraw/zinc/42/38/84/558423884.db2.gz ZFKURKLQXLJELW-UHFFFAOYSA-N 1 0 409.162 4.253 50 0 HIAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(C)cc3)CC2)c(Cl)c1 ZINC000012584183 558433649 /nfs/dbraw/zinc/43/36/49/558433649.db2.gz VFRPMHUSZRMEJM-UHFFFAOYSA-N 1 0 416.949 4.068 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012587809 558434687 /nfs/dbraw/zinc/43/46/87/558434687.db2.gz QHOHUAXLELBICQ-LJQANCHMSA-N 1 0 405.517 4.401 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C1)c1cccs1 ZINC000012595365 558437431 /nfs/dbraw/zinc/43/74/31/558437431.db2.gz WJVCRWDGXYHXFQ-MRXNPFEDSA-N 1 0 414.962 4.229 50 0 HIAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CC1=CCCCC1 ZINC000012595558 558437735 /nfs/dbraw/zinc/43/77/35/558437735.db2.gz KCXZDOUNHROXAP-UHFFFAOYSA-N 1 0 414.590 4.273 50 0 HIAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C)s2)CC1)c1ccccc1 ZINC000012702631 558448144 /nfs/dbraw/zinc/44/81/44/558448144.db2.gz YSPIPOZSDNSVHD-JOCHJYFZSA-N 1 0 424.570 4.416 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1OC ZINC000012704967 558449567 /nfs/dbraw/zinc/44/95/67/558449567.db2.gz LLYQJPXQJBVJER-OAQYLSRUSA-N 1 0 400.563 4.060 50 0 HIAARO CCCn1ncc(CN(CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450280 /nfs/dbraw/zinc/45/02/80/558450280.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 1 0 412.622 4.387 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)no2)cc1 ZINC000021807490 558450877 /nfs/dbraw/zinc/45/08/77/558450877.db2.gz TVNZSQSAUASVRX-QFIPXVFZSA-N 1 0 405.498 4.307 50 0 HIAARO CCn1cc(CN(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746453 558458352 /nfs/dbraw/zinc/45/83/52/558458352.db2.gz HVKOIJIACVOFBB-LJQANCHMSA-N 1 0 408.512 4.308 50 0 HIAARO CC[NH+]1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000022238135 558471179 /nfs/dbraw/zinc/47/11/79/558471179.db2.gz OSQLFDWUNLFBJB-UHFFFAOYSA-N 1 0 422.960 4.336 50 0 HIAARO c1nc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000012836776 558478318 /nfs/dbraw/zinc/47/83/18/558478318.db2.gz KGQXWNDLPJGAJS-UHFFFAOYSA-N 1 0 404.495 4.057 50 0 HIAARO COc1cccc([C@H](CNC(=O)COc2ccc(Nc3ccccc3)cc2)[NH+](C)C)c1 ZINC000022683220 558504338 /nfs/dbraw/zinc/50/43/38/558504338.db2.gz CAKAGYVRXORAEM-DEOSSOPVSA-N 1 0 419.525 4.237 50 0 HIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000022766892 558508308 /nfs/dbraw/zinc/50/83/08/558508308.db2.gz KLEQMXKJPPAUMC-IBGZPJMESA-N 1 0 414.912 4.065 50 0 HIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000022766896 558508344 /nfs/dbraw/zinc/50/83/44/558508344.db2.gz KLEQMXKJPPAUMC-LJQANCHMSA-N 1 0 414.912 4.065 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013069462 558510936 /nfs/dbraw/zinc/51/09/36/558510936.db2.gz LFCMDTGUBDFYED-KSZLIROESA-N 1 0 409.530 4.252 50 0 HIAARO COc1ccc([C@H](C[NH2+]Cc2c(OC)ccc3ccccc32)N2CCOCC2)cc1 ZINC000022789491 558511837 /nfs/dbraw/zinc/51/18/37/558511837.db2.gz KKMDUZPGNKSCLD-DEOSSOPVSA-N 1 0 406.526 4.020 50 0 HIAARO CN(C)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000022937210 558527387 /nfs/dbraw/zinc/52/73/87/558527387.db2.gz PRXBRQJHRKIYJD-UHFFFAOYSA-N 1 0 402.130 4.123 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(Br)cc1F)[NH+]1CCCC1 ZINC000023074417 558533053 /nfs/dbraw/zinc/53/30/53/558533053.db2.gz DJNKCWKHJCMYEO-GOSISDBHSA-N 1 0 421.310 4.164 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000023224617 558543493 /nfs/dbraw/zinc/54/34/93/558543493.db2.gz JMEGAXKCNVPZTD-HXUWFJFHSA-N 1 0 409.357 4.002 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cn(CC)nc2C)CC1 ZINC000013595642 558547111 /nfs/dbraw/zinc/54/71/11/558547111.db2.gz JDELYKSOQVCQLR-UHFFFAOYSA-N 1 0 403.954 4.253 50 0 HIAARO O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000013641678 558555712 /nfs/dbraw/zinc/55/57/12/558555712.db2.gz RZMWZGIFTOTZFF-KRWDZBQOSA-N 1 0 414.465 4.070 50 0 HIAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013717564 558580320 /nfs/dbraw/zinc/58/03/20/558580320.db2.gz WSIIXKVOPIMMRC-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO O[C@H](COc1ccc2oc3ccccc3c2c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000025330054 558638452 /nfs/dbraw/zinc/63/84/52/558638452.db2.gz ADUKAVBMAPRTDS-FQEVSTJZSA-N 1 0 402.494 4.148 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OCc3ccncc3)cc2)cc1 ZINC000027582803 558675875 /nfs/dbraw/zinc/67/58/75/558675875.db2.gz YZCSGUUZNQCDPW-UHFFFAOYSA-N 1 0 403.526 4.432 50 0 HIAARO O=C(COc1ccc(Br)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027582024 558676042 /nfs/dbraw/zinc/67/60/42/558676042.db2.gz NXXBJIPLRODCBO-QGZVFWFLSA-N 1 0 423.376 4.233 50 0 HIAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000014948375 558680359 /nfs/dbraw/zinc/68/03/59/558680359.db2.gz OURBPVDLSMVQQP-LJQANCHMSA-N 1 0 414.521 4.136 50 0 HIAARO CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014951560 558681300 /nfs/dbraw/zinc/68/13/00/558681300.db2.gz PAMDDSIINGTGJC-DEOSSOPVSA-N 1 0 415.537 4.204 50 0 HIAARO C[NH+]1CCN([C@@H](CNC(=O)Cc2cccc3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000027793786 558682909 /nfs/dbraw/zinc/68/29/09/558682909.db2.gz QCKLUSMAMMZUJF-DEOSSOPVSA-N 1 0 421.972 4.141 50 0 HIAARO CN(C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000014960068 558683643 /nfs/dbraw/zinc/68/36/43/558683643.db2.gz LUYULSUPMUSIHZ-UHFFFAOYSA-N 1 0 420.981 4.377 50 0 HIAARO O=C(NCc1ccco1)[C@H]1CC12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014972901 558688127 /nfs/dbraw/zinc/68/81/27/558688127.db2.gz VEYUPGOKUZOIBL-HXUWFJFHSA-N 1 0 407.539 4.322 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027994209 558688929 /nfs/dbraw/zinc/68/89/29/558688929.db2.gz CJDZOPPWEQIDQE-UTKZUKDTSA-N 1 0 416.949 4.459 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027995428 558689202 /nfs/dbraw/zinc/68/92/02/558689202.db2.gz FAAVQYYHWTYWAI-OXJNMPFZSA-N 1 0 402.922 4.069 50 0 HIAARO O=C(CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)NCc1ccc(F)cc1 ZINC000014979539 558690624 /nfs/dbraw/zinc/69/06/24/558690624.db2.gz IQLXRDPETFYKAX-UHFFFAOYSA-N 1 0 422.504 4.184 50 0 HIAARO COc1ccc(CN2CC[N@@H+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000014994214 558695497 /nfs/dbraw/zinc/69/54/97/558695497.db2.gz NSEVHBIETVSHAG-KRWDZBQOSA-N 1 0 420.475 4.380 50 0 HIAARO Cc1ccccc1CN1CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3)no2)CCC1=O ZINC000014997411 558696583 /nfs/dbraw/zinc/69/65/83/558696583.db2.gz GVKPNTXJUXLEKB-OAQYLSRUSA-N 1 0 404.514 4.058 50 0 HIAARO COc1cc(CN(C)C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)ccc1OCc1ccccc1 ZINC000029725481 558719104 /nfs/dbraw/zinc/71/91/04/558719104.db2.gz ZTQIWKUZELCGLF-LJQANCHMSA-N 1 0 422.569 4.496 50 0 HIAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC ZINC000004555331 558724271 /nfs/dbraw/zinc/72/42/71/558724271.db2.gz GPJKVCMAIPRVPT-IBGZPJMESA-N 1 0 401.532 4.351 50 0 HIAARO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000072304022 558756725 /nfs/dbraw/zinc/75/67/25/558756725.db2.gz AGTRLWRJMASONC-GOTSBHOMSA-N 1 0 410.558 4.148 50 0 HIAARO O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004725551 558780746 /nfs/dbraw/zinc/78/07/46/558780746.db2.gz WOHOIOFREORMBQ-KPKJPENVSA-N 1 0 409.618 4.136 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000016468995 558792925 /nfs/dbraw/zinc/79/29/25/558792925.db2.gz JWGASGMEKMIRQF-UHFFFAOYSA-N 1 0 411.855 4.292 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984073 558805070 /nfs/dbraw/zinc/80/50/70/558805070.db2.gz UWJJFVKAIDLXRW-QJOMJCCJSA-N 1 0 419.525 4.055 50 0 HIAARO COc1cc(OC)c(OC)cc1CN(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019300526 558866453 /nfs/dbraw/zinc/86/64/53/558866453.db2.gz QQHFJQFUKURFTK-QFIPXVFZSA-N 1 0 412.574 4.241 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100156 558872629 /nfs/dbraw/zinc/87/26/29/558872629.db2.gz WYBXFRSISJFJKN-OAQYLSRUSA-N 1 0 400.538 4.229 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000010653102 558875655 /nfs/dbraw/zinc/87/56/55/558875655.db2.gz UZJZHOJSXGCCAH-UHFFFAOYSA-N 1 0 424.545 4.426 50 0 HIAARO CCOc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)cc1 ZINC000013810620 558884337 /nfs/dbraw/zinc/88/43/37/558884337.db2.gz SKBOWHGJCLLDQF-DEOSSOPVSA-N 1 0 422.525 4.478 50 0 aggregator HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cc(C)ccc4C)c(C)c32)CC1 ZINC000033048433 558885865 /nfs/dbraw/zinc/88/58/65/558885865.db2.gz RMGHIUJZSRZPFG-UHFFFAOYSA-N 1 0 423.586 4.401 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@](O)(c1ccco1)C(F)(F)F ZINC000057997271 558893780 /nfs/dbraw/zinc/89/37/80/558893780.db2.gz SXMWZEAPKSSKDA-IIBYNOLFSA-N 1 0 424.463 4.110 50 0 HIAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000004689286 558899365 /nfs/dbraw/zinc/89/93/65/558899365.db2.gz RYKZIJDNXVDKHS-RHSMWYFYSA-N 1 0 422.451 4.047 50 0 HIAARO CSc1ncccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058138755 558901268 /nfs/dbraw/zinc/90/12/68/558901268.db2.gz YIJZTFJWKMPWFT-UHFFFAOYSA-N 1 0 418.566 4.378 50 0 HIAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCc1nc(C(C)C)no1 ZINC000058162895 558906272 /nfs/dbraw/zinc/90/62/72/558906272.db2.gz BUQJUBGQQSNYKA-UHFFFAOYSA-N 1 0 402.564 4.012 50 0 HIAARO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)c1ccccc1Cl ZINC000058309160 558918698 /nfs/dbraw/zinc/91/86/98/558918698.db2.gz WIXVVNXJYXZLPO-UHFFFAOYSA-N 1 0 420.944 4.352 50 0 HIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033261365 558930782 /nfs/dbraw/zinc/93/07/82/558930782.db2.gz XQCKYCGXPQYLFU-UHFFFAOYSA-N 1 0 415.541 4.493 50 0 HIAARO O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374039 558941851 /nfs/dbraw/zinc/94/18/51/558941851.db2.gz AKFWBXJNHKHQAK-GOSISDBHSA-N 1 0 418.463 4.079 50 0 HIAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000019637755 558947385 /nfs/dbraw/zinc/94/73/85/558947385.db2.gz WKHLIIHWSNWVII-QFIPXVFZSA-N 1 0 404.533 4.161 50 0 HIAARO Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799761 558965565 /nfs/dbraw/zinc/96/55/65/558965565.db2.gz JMZDKWYSDIYPMS-UHFFFAOYSA-N 1 0 421.589 4.035 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)[C@H]2CCN(C)C2)cc1OC ZINC000072428229 558979103 /nfs/dbraw/zinc/97/91/03/558979103.db2.gz BVUIFIDEHJZEQR-NRFANRHFSA-N 1 0 405.542 4.363 50 0 HIAARO C[C@@H]1CN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC[N@@H+]1C ZINC000072453565 558982868 /nfs/dbraw/zinc/98/28/68/558982868.db2.gz ISKUQQUIRCNTKA-OAHLLOKOSA-N 1 0 409.917 4.420 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@@H]2CCO)cc1F ZINC000072463114 558983173 /nfs/dbraw/zinc/98/31/73/558983173.db2.gz FLPQFXLIZIMIOW-HXUWFJFHSA-N 1 0 409.505 4.342 50 0 HIAARO Cc1c(Cl)cccc1NC(=S)N[C@H](C)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031358 558985468 /nfs/dbraw/zinc/98/54/68/558985468.db2.gz XZTFFADPXVZPGM-DYESRHJHSA-N 1 0 417.022 4.312 50 0 HIAARO Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NCC[NH+](C)C)cc1 ZINC000033289204 559044559 /nfs/dbraw/zinc/04/45/59/559044559.db2.gz SXQFJLKOHNDRQZ-UHFFFAOYSA-N 1 0 408.527 4.020 50 0 HIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091997960 559075000 /nfs/dbraw/zinc/07/50/00/559075000.db2.gz SZTLQEIVYGIYIB-QHCPKHFHSA-N 1 0 404.514 4.129 50 0 HIAARO CCC1CCC(C(=O)N[C@H](C(=O)NCC[NH+](CC(C)C)CC(C)C)C(C)C)CC1 ZINC000004827223 559155611 /nfs/dbraw/zinc/15/56/11/559155611.db2.gz GNXHFHYUTUTLIQ-HRTMPFAESA-N 1 0 409.659 4.074 50 0 HIAARO CCc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)n2)cc1 ZINC000023742559 559179636 /nfs/dbraw/zinc/17/96/36/559179636.db2.gz KRQVRISDORNHBC-JOCHJYFZSA-N 1 0 418.541 4.185 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000004863235 559193296 /nfs/dbraw/zinc/19/32/96/559193296.db2.gz MAJDYENNHADPAW-LJQANCHMSA-N 1 0 412.331 4.415 50 0 HIAARO CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000004872928 559194716 /nfs/dbraw/zinc/19/47/16/559194716.db2.gz PQZWZSQBGGMYCO-RYTOZCKSSA-N 1 0 407.643 4.114 50 0 HIAARO C[NH+](C)CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000004898666 559199081 /nfs/dbraw/zinc/19/90/81/559199081.db2.gz WNEBAHSQDMUJBG-UHFFFAOYSA-N 1 0 423.542 4.324 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901499 559199871 /nfs/dbraw/zinc/19/98/71/559199871.db2.gz DMCSEYANCVHVBW-INIZCTEOSA-N 1 0 418.006 4.460 50 0 HIAARO CCn1c2ccccc2c2sc(C(=O)NCC[N@H+](C)C3CCCCC3)cc2c1=O ZINC000004939257 559211699 /nfs/dbraw/zinc/21/16/99/559211699.db2.gz BMPDETMRWDPIGN-UHFFFAOYSA-N 1 0 411.571 4.230 50 0 HIAARO CCCC[N@H+](CC)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005022594 559230562 /nfs/dbraw/zinc/23/05/62/559230562.db2.gz WMLOTKXEGKCROL-UHFFFAOYSA-N 1 0 402.539 4.293 50 0 HIAARO CSc1ccc(-c2nc(CSCC(=O)NCCC[NH+]3CCCC3)c(C)o2)cc1 ZINC000005057562 559238050 /nfs/dbraw/zinc/23/80/50/559238050.db2.gz RCJRLZBUXCSVDJ-UHFFFAOYSA-N 1 0 419.616 4.207 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCCC2)cc1 ZINC000005262106 560552903 /nfs/dbraw/zinc/55/29/03/560552903.db2.gz ULHYPFSXGYVDGM-DEOSSOPVSA-N 1 0 404.510 4.181 50 0 HIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(c2ccccc2F)CC1 ZINC000061992848 560568599 /nfs/dbraw/zinc/56/85/99/560568599.db2.gz PVDOKSPLAGQUIA-AMZPDFMZSA-N 1 0 412.549 4.406 50 0 HIAARO Cc1ccccc1[N+]1=C2CCCCCN2C[C@@]1(O)c1ccc(Br)cc1 ZINC000003068864 560588852 /nfs/dbraw/zinc/58/88/52/560588852.db2.gz VSNJTZCEJHJEEV-OAQYLSRUSA-N 1 0 400.340 4.408 50 0 HIAARO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)C1 ZINC000104982751 560858767 /nfs/dbraw/zinc/85/87/67/560858767.db2.gz YRCHGKSTGZSKFU-DHIUTWEWSA-N 1 0 410.558 4.024 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)CCS(=O)(=O)C1CCCC1)C1CCCCC1 ZINC000048157393 568432221 /nfs/dbraw/zinc/43/22/21/568432221.db2.gz XXPRJNBANADZHT-UHFFFAOYSA-N 1 0 406.592 4.137 50 0 HIAARO CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048256841 568433400 /nfs/dbraw/zinc/43/34/00/568433400.db2.gz QXSHWNAWUKFCGR-UHFFFAOYSA-N 1 0 400.567 4.463 50 0 HIAARO CCC[C@H]([NH2+]CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccccc1 ZINC000049592441 568452399 /nfs/dbraw/zinc/45/23/99/568452399.db2.gz OJZILYDPFGRXQW-QHCPKHFHSA-N 1 0 419.525 4.378 50 0 HIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)o1 ZINC000049590281 568453053 /nfs/dbraw/zinc/45/30/53/568453053.db2.gz NVMHIFGYRYPCDY-GOSISDBHSA-N 1 0 400.548 4.222 50 0 HIAARO CCc1ccc(C[NH+]2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000000778810 568473821 /nfs/dbraw/zinc/47/38/21/568473821.db2.gz DHAKLTFTVJXEHQ-UHFFFAOYSA-N 1 0 424.585 4.179 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008156953 568492487 /nfs/dbraw/zinc/49/24/87/568492487.db2.gz CJWWGNMFLGYPJG-UHFFFAOYSA-N 1 0 400.526 4.276 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261102 568513005 /nfs/dbraw/zinc/51/30/05/568513005.db2.gz PIOXNZVWQZQUCX-UHFFFAOYSA-N 1 0 401.514 4.103 50 0 HIAARO C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000095365127 568601976 /nfs/dbraw/zinc/60/19/76/568601976.db2.gz UOSYTTUNZRQZDV-LJQANCHMSA-N 1 0 420.326 4.071 50 0 HIAARO O=C(c1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)N1CCCC[C@@H]1CCO ZINC000095457155 568618019 /nfs/dbraw/zinc/61/80/19/568618019.db2.gz OHEWWTSYTUCAFM-LOSJGSFVSA-N 1 0 421.585 4.140 50 0 HIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020612433 568637529 /nfs/dbraw/zinc/63/75/29/568637529.db2.gz AZCJOSWXMWVFEY-HLMLHLEXSA-N 1 0 408.586 4.263 50 0 HIAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000225479191 568641533 /nfs/dbraw/zinc/64/15/33/568641533.db2.gz GOSQBDSMOJFWJP-LJQANCHMSA-N 1 0 415.603 4.037 50 0 HIAARO O=C(CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)NCc1ccccc1 ZINC000095938986 568661332 /nfs/dbraw/zinc/66/13/32/568661332.db2.gz NYHNKRCEVGZUMN-UHFFFAOYSA-N 1 0 402.542 4.021 50 0 HIAARO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)C1 ZINC000225771170 568673165 /nfs/dbraw/zinc/67/31/65/568673165.db2.gz WNAFNJLQXYZDON-QFIPXVFZSA-N 1 0 417.528 4.428 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)OCO2 ZINC000021174785 568676964 /nfs/dbraw/zinc/67/69/64/568676964.db2.gz OKKXSVPQWLLGCZ-UHFFFAOYSA-N 1 0 401.894 4.102 50 0 HIAARO Fc1cccc(-c2noc([C@H]3CCCN([C@@H]4CC[N@H+](CCc5ccccc5)C4)C3)n2)c1 ZINC000095995498 568678315 /nfs/dbraw/zinc/67/83/15/568678315.db2.gz JWRJTAHOCNAGTF-JTHBVZDNSA-N 1 0 420.532 4.372 50 0 HIAARO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000096012275 568684471 /nfs/dbraw/zinc/68/44/71/568684471.db2.gz ZLULMOBBBFUFBC-QVKFZJNVSA-N 1 0 416.587 4.406 50 0 HIAARO Cc1ccc(N2C(=O)c3ccccc3/C(=C/NCC[NH+](C(C)C)C(C)C)C2=O)cc1 ZINC000021360212 568689739 /nfs/dbraw/zinc/68/97/39/568689739.db2.gz JOQKQTFMDLSOKI-KQWNVCNZSA-N 1 0 405.542 4.231 50 0 HIAARO CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000096102412 568691577 /nfs/dbraw/zinc/69/15/77/568691577.db2.gz JHTFITXLDZPVDA-KAMYIIQDSA-N 1 0 421.541 4.311 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000096130024 568701969 /nfs/dbraw/zinc/70/19/69/568701969.db2.gz LDXMHBLERWMAHX-ZEVQVBBLSA-N 1 0 402.589 4.287 50 0 HIAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231091 568730887 /nfs/dbraw/zinc/73/08/87/568730887.db2.gz KRVZTXPWPJALAL-MLGOLLRUSA-N 1 0 413.349 4.376 50 0 HIAARO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000248254488 568748256 /nfs/dbraw/zinc/74/82/56/568748256.db2.gz UCYSPCDRKFQJDV-SFHVURJKSA-N 1 0 408.521 4.293 50 0 HIAARO COc1ccccc1-c1noc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000021715040 568749120 /nfs/dbraw/zinc/74/91/20/568749120.db2.gz LGFGJIRBVFAFMG-UHFFFAOYSA-N 1 0 415.497 4.370 50 0 HIAARO COc1ccc2ccccc2c1CCC(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685805 568778869 /nfs/dbraw/zinc/77/88/69/568778869.db2.gz QHPCMXXFBZVXGC-QHCPKHFHSA-N 1 0 414.549 4.440 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1c(F)cccc1F ZINC000029365592 568824971 /nfs/dbraw/zinc/82/49/71/568824971.db2.gz XEXJSTWVQJZUDX-UHFFFAOYSA-N 1 0 421.491 4.217 50 0 HIAARO COc1ccc(C[C@H]([NH2+]CC(=O)N2CCc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000057292100 568826243 /nfs/dbraw/zinc/82/62/43/568826243.db2.gz BDYCLPYMSRRQRP-DEOSSOPVSA-N 1 0 416.521 4.167 50 0 HIAARO Cc1ccc([C@@H]([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c2ccccc2)cc1 ZINC000057403292 568832500 /nfs/dbraw/zinc/83/25/00/568832500.db2.gz WSNJCYLIYBXHCN-SIBVEZHUSA-N 1 0 413.521 4.438 50 0 HIAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000057407754 568832893 /nfs/dbraw/zinc/83/28/93/568832893.db2.gz GRHWDTHJPQSVCU-NRFANRHFSA-N 1 0 403.910 4.232 50 0 HIAARO C[NH+](C)CCCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1 ZINC000003242648 568847946 /nfs/dbraw/zinc/84/79/46/568847946.db2.gz MBNPYPWQYGHCTB-UHFFFAOYSA-N 1 0 419.934 4.191 50 0 HIAARO COc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2Cl)[NH+]2CCCCC2)cc1 ZINC000003345930 568855963 /nfs/dbraw/zinc/85/59/63/568855963.db2.gz WBDJKAQKMQQPLB-OAQYLSRUSA-N 1 0 404.913 4.374 50 0 HIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000012589478 568867872 /nfs/dbraw/zinc/86/78/72/568867872.db2.gz NBPBGGZJYKVTKI-MRXNPFEDSA-N 1 0 419.641 4.309 50 0 HIAARO Cn1ccnc1[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012604475 568870744 /nfs/dbraw/zinc/87/07/44/568870744.db2.gz ZNXIAFPARHKGBB-QFIPXVFZSA-N 1 0 406.505 4.065 50 0 HIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052975 568872311 /nfs/dbraw/zinc/87/23/11/568872311.db2.gz FHWCVDLJGBHESL-SCRDCRAPSA-N 1 0 421.173 4.214 50 0 HIAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000299784244 568875326 /nfs/dbraw/zinc/87/53/26/568875326.db2.gz IEYWIRPJMVIANU-ZDUSSCGKSA-N 1 0 405.880 4.430 50 0 HIAARO CCCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000030999044 568908544 /nfs/dbraw/zinc/90/85/44/568908544.db2.gz CDCNUDUHIBVJCW-UHFFFAOYSA-N 1 0 407.558 4.383 50 0 HIAARO CCN1C[C@@H](C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1=O ZINC000012717474 568918098 /nfs/dbraw/zinc/91/80/98/568918098.db2.gz JHWQMNBODWCIEA-LJQANCHMSA-N 1 0 420.532 4.287 50 0 HIAARO CN(C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000083877514 568922174 /nfs/dbraw/zinc/92/21/74/568922174.db2.gz WGRQJPWMBBJKPT-SANMLTNESA-N 1 0 415.581 4.266 50 0 HIAARO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000670451114 568927074 /nfs/dbraw/zinc/92/70/74/568927074.db2.gz QNGWVXJGTNGWTO-OAQYLSRUSA-N 1 0 402.542 4.070 50 0 HIAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000084705642 568956284 /nfs/dbraw/zinc/95/62/84/568956284.db2.gz JXXUXUFCVNBPGJ-WOJBJXKFSA-N 1 0 402.542 4.101 50 0 HIAARO CCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084758990 568958401 /nfs/dbraw/zinc/95/84/01/568958401.db2.gz PXJVYENODMEHAZ-QFIPXVFZSA-N 1 0 420.550 4.107 50 0 HIAARO CCOCc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802759 568960407 /nfs/dbraw/zinc/96/04/07/568960407.db2.gz GDMLVVKVVASSBM-CTNGQTDRSA-N 1 0 410.558 4.262 50 0 HIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000015679769 568966904 /nfs/dbraw/zinc/96/69/04/568966904.db2.gz NQBGSSVJASLNJR-UHFFFAOYSA-N 1 0 403.548 4.284 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 ZINC000008003137 568967792 /nfs/dbraw/zinc/96/77/92/568967792.db2.gz GXLVOQKMKJVPGF-HXUWFJFHSA-N 1 0 417.435 4.212 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681522 568968197 /nfs/dbraw/zinc/96/81/97/568968197.db2.gz UEFAFVLTFOGOSS-FQEVSTJZSA-N 1 0 423.536 4.187 50 0 HIAARO CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107864 568992090 /nfs/dbraw/zinc/99/20/90/568992090.db2.gz DOFKULVNRMZKAN-SIKLNZKXSA-N 1 0 423.605 4.101 50 0 HIAARO Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008342107 568993572 /nfs/dbraw/zinc/99/35/72/568993572.db2.gz IJEMHWQWEXLMGD-UHFFFAOYSA-N 1 0 419.525 4.396 50 0 HIAARO O=C(Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)c1ccco1 ZINC000008430512 569002840 /nfs/dbraw/zinc/00/28/40/569002840.db2.gz KPFWWJHTJODWHN-UHFFFAOYSA-N 1 0 403.482 4.058 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649397 569005593 /nfs/dbraw/zinc/00/55/93/569005593.db2.gz YMQRSVHJTHPWLS-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000012892559 569020250 /nfs/dbraw/zinc/02/02/50/569020250.db2.gz PJCRBDSQOQMWGE-WIYYLYMNSA-N 1 0 410.341 4.179 50 0 HIAARO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012918859 569022759 /nfs/dbraw/zinc/02/27/59/569022759.db2.gz FHHRRKLWAQTGMQ-ROUUACIJSA-N 1 0 402.494 4.438 50 0 HIAARO COc1ccc(OCC[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047200 569028323 /nfs/dbraw/zinc/02/83/23/569028323.db2.gz BPLIUYUPSGGOIT-KGLIPLIRSA-N 1 0 411.329 4.236 50 0 HIAARO CC(=O)Nc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012941568 569028666 /nfs/dbraw/zinc/02/86/66/569028666.db2.gz NVEXWOJJWCTRHR-NRFANRHFSA-N 1 0 411.552 4.354 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1C)C(c1ccccc1)=N2 ZINC000035372500 569033870 /nfs/dbraw/zinc/03/38/70/569033870.db2.gz UFQXICNLJAWTGV-UHFFFAOYSA-N 1 0 420.582 4.380 50 0 HIAARO COc1ccc(CNC(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1OC ZINC000575621503 569039044 /nfs/dbraw/zinc/03/90/44/569039044.db2.gz OWYFQDVLVKSOPL-SFHVURJKSA-N 1 0 413.543 4.021 50 0 HIAARO CCS[C@@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000229333116 569040498 /nfs/dbraw/zinc/04/04/98/569040498.db2.gz GLIYGQSVFUSNAY-YQVWRLOYSA-N 1 0 400.510 4.231 50 0 HIAARO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)c1nn(C)c(C)c1Br ZINC000006398463 569046689 /nfs/dbraw/zinc/04/66/89/569046689.db2.gz YKJRVFQHRDQLPA-HNNXBMFYSA-N 1 0 415.420 4.292 50 0 HIAARO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000241588369 569054759 /nfs/dbraw/zinc/05/47/59/569054759.db2.gz PCMKHSHIQMIDNP-CABCVRRESA-N 1 0 415.347 4.126 50 0 HIAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000001834827 569056370 /nfs/dbraw/zinc/05/63/70/569056370.db2.gz BNAGXCARSRAPFM-IBGZPJMESA-N 1 0 419.477 4.464 50 0 biogenic HIAARO CCCc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000035925659 569066392 /nfs/dbraw/zinc/06/63/92/569066392.db2.gz CTOGHQIWDJWLIS-UHFFFAOYSA-N 1 0 418.570 4.152 50 0 HIAARO O=C(NC1CC1)c1ccnc(N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)c1 ZINC000426427879 569072918 /nfs/dbraw/zinc/07/29/18/569072918.db2.gz CVDPJHJOODNVRE-VWLOTQADSA-N 1 0 410.606 4.237 50 0 HIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000426712612 569074013 /nfs/dbraw/zinc/07/40/13/569074013.db2.gz JPMZNVVBNQETJA-XMMPIXPASA-N 1 0 409.480 4.461 50 0 HIAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC000036031372 569080963 /nfs/dbraw/zinc/08/09/63/569080963.db2.gz KMJNBVKULZSWQF-GMAHTHKFSA-N 1 0 403.950 4.378 50 0 HIAARO Cc1ccccc1CN(Cc1nc(C(=O)NCC[NH+](C)C)co1)[C@@H](C)c1ccccc1 ZINC000036073530 569086861 /nfs/dbraw/zinc/08/68/61/569086861.db2.gz IKHMXISKQGONBG-FQEVSTJZSA-N 1 0 420.557 4.038 50 0 HIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036096134 569090324 /nfs/dbraw/zinc/09/03/24/569090324.db2.gz HCGUYNJNVZXKLS-HXUWFJFHSA-N 1 0 417.546 4.000 50 0 HIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(OC)c2)cc1 ZINC000036098276 569090719 /nfs/dbraw/zinc/09/07/19/569090719.db2.gz MXLCNCKRBULVJW-JOCHJYFZSA-N 1 0 407.510 4.146 50 0 HIAARO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCC[NH+]1CCCCC1 ZINC000006704571 569094559 /nfs/dbraw/zinc/09/45/59/569094559.db2.gz HTQTZBLQPJBDLX-FQEVSTJZSA-N 1 0 419.525 4.021 50 0 HIAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146234 569098645 /nfs/dbraw/zinc/09/86/45/569098645.db2.gz HJZYRRJFNFLEPM-PKTZIBPZSA-N 1 0 418.512 4.425 50 0 HIAARO O=C(NCc1ccccc1Br)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818116 569101133 /nfs/dbraw/zinc/10/11/33/569101133.db2.gz XVRGNYAOUFEMJY-UHFFFAOYSA-N 1 0 403.295 4.037 50 0 HIAARO O=C(c1ccc2c(c1)NC(=O)c1ccccc1S2)N1CCC([NH+]2CCCCC2)CC1 ZINC000006750042 569109070 /nfs/dbraw/zinc/10/90/70/569109070.db2.gz IILHNHYMTLUDGA-UHFFFAOYSA-N 1 0 421.566 4.494 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C[C@H](O)COCC ZINC000036249886 569119204 /nfs/dbraw/zinc/11/92/04/569119204.db2.gz BSYABDWUJIVZCQ-NRFANRHFSA-N 1 0 415.578 4.187 50 0 HIAARO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006790336 569124185 /nfs/dbraw/zinc/12/41/85/569124185.db2.gz IFTXFDOVSCKHCK-QFIPXVFZSA-N 1 0 407.510 4.243 50 0 HIAARO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2ccccc2)C[C@@H](O)COC(C)(C)C)C1 ZINC000169679662 569126919 /nfs/dbraw/zinc/12/69/19/569126919.db2.gz HVICNLVSWQTVTE-YADHBBJMSA-N 1 0 410.558 4.166 50 0 HIAARO CC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301512 569127949 /nfs/dbraw/zinc/12/79/49/569127949.db2.gz NYAYLBCNLYUJST-HXUWFJFHSA-N 1 0 409.530 4.099 50 0 HIAARO CC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301510 569127963 /nfs/dbraw/zinc/12/79/63/569127963.db2.gz NYAYLBCNLYUJST-FQEVSTJZSA-N 1 0 409.530 4.099 50 0 HIAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](c2ccc(C)cc2)C1 ZINC000036343657 569142403 /nfs/dbraw/zinc/14/24/03/569142403.db2.gz QJWPODTUHUUOTC-HSZRJFAPSA-N 1 0 405.542 4.413 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3C)C2)c1 ZINC000036344959 569143032 /nfs/dbraw/zinc/14/30/32/569143032.db2.gz BZDIUNUFDAETLD-DEOSSOPVSA-N 1 0 405.542 4.413 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989520 569145986 /nfs/dbraw/zinc/14/59/86/569145986.db2.gz WADKLPONJFMCFV-UHFFFAOYSA-N 1 0 421.589 4.494 50 0 HIAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC[C@H](C)[NH+]2CCCCCC2)n1 ZINC000065010160 569153447 /nfs/dbraw/zinc/15/34/47/569153447.db2.gz RVPBJWHSYIVNMG-INIZCTEOSA-N 1 0 410.518 4.484 50 0 HIAARO COc1cc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)cc(OC)c1 ZINC000006877330 569163993 /nfs/dbraw/zinc/16/39/93/569163993.db2.gz OYVCAHUGBHMGNF-UHFFFAOYSA-N 1 0 409.530 4.006 50 0 HIAARO CCOC(=O)c1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000006877390 569164311 /nfs/dbraw/zinc/16/43/11/569164311.db2.gz WYKSEOCUVNJMSC-IBGZPJMESA-N 1 0 421.541 4.166 50 0 HIAARO Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)o1 ZINC000006895397 569175261 /nfs/dbraw/zinc/17/52/61/569175261.db2.gz CIMYGFZMZNVGLL-PMERELPUSA-N 1 0 424.566 4.148 50 0 HIAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000006895574 569175363 /nfs/dbraw/zinc/17/53/63/569175363.db2.gz XSMBXBMIXDGQBO-MHZLTWQESA-N 1 0 410.967 4.093 50 0 HIAARO CCc1nc2cccnc2n1-c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000006900733 569177679 /nfs/dbraw/zinc/17/76/79/569177679.db2.gz AJIGJMKQMPEYHW-UHFFFAOYSA-N 1 0 417.557 4.073 50 0 HIAARO CCc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000007000395 569197227 /nfs/dbraw/zinc/19/72/27/569197227.db2.gz PPLJXCBZWKXEQQ-UHFFFAOYSA-N 1 0 410.468 4.432 50 0 HIAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000007142932 569226302 /nfs/dbraw/zinc/22/63/02/569226302.db2.gz BZSOVIRLFSQJNR-KNQAVFIVSA-N 1 0 403.526 4.094 50 0 HIAARO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065539830 569234583 /nfs/dbraw/zinc/23/45/83/569234583.db2.gz HLWZKWLFNHBOEA-VGOFRKELSA-N 1 0 403.526 4.376 50 0 HIAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(-c2nccs2)cc1 ZINC000170593780 569241284 /nfs/dbraw/zinc/24/12/84/569241284.db2.gz IJJYTMSWFRMWLT-OAQYLSRUSA-N 1 0 422.554 4.089 50 0 HIAARO COc1ccc([C@H]([NH2+]CCCn2cccn2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606811 569244784 /nfs/dbraw/zinc/24/47/84/569244784.db2.gz QOUREQAGFOXTLT-SFTDATJTSA-N 1 0 414.550 4.012 50 0 HIAARO COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)c1 ZINC000016993919 569270821 /nfs/dbraw/zinc/27/08/21/569270821.db2.gz CYYVXLKZTDFAMN-HSZRJFAPSA-N 1 0 408.498 4.088 50 0 HIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(Cn2nc(C)cc2C)c1 ZINC000002126364 569286198 /nfs/dbraw/zinc/28/61/98/569286198.db2.gz KOTONNGISRFNAM-DEOSSOPVSA-N 1 0 416.525 4.282 50 0 biogenic HIAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002137251 569287443 /nfs/dbraw/zinc/28/74/43/569287443.db2.gz LFQOBUGWTJTTGE-INKRWSNDSA-N 1 0 423.597 4.226 50 0 biogenic HIAARO CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002234988 569321245 /nfs/dbraw/zinc/32/12/45/569321245.db2.gz XSRQIMOQWLNYJS-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)cc1 ZINC000002693636 569322312 /nfs/dbraw/zinc/32/23/12/569322312.db2.gz BXWSENGQMIMDOB-UHFFFAOYSA-N 1 0 411.958 4.425 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(Cn2ccnc2)c1 ZINC000253418629 569367577 /nfs/dbraw/zinc/36/75/77/569367577.db2.gz TZNSNHBLFRFISI-UHFFFAOYSA-N 1 0 402.542 4.237 50 0 HIAARO O=C(CC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1 ZINC000253427887 569368456 /nfs/dbraw/zinc/36/84/56/569368456.db2.gz HCYNKYSRQPYSND-NRFANRHFSA-N 1 0 408.933 4.328 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(F)c1 ZINC000027594325 569375612 /nfs/dbraw/zinc/37/56/12/569375612.db2.gz TXRPLZUSDMBJAZ-LJQANCHMSA-N 1 0 415.896 4.486 50 0 HIAARO CC(C)Oc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002407615 569396341 /nfs/dbraw/zinc/39/63/41/569396341.db2.gz PWYRQABEYQWKPH-QFIPXVFZSA-N 1 0 420.509 4.077 50 0 HIAARO C[NH+](C)CCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCCCC3 ZINC000002431303 569399137 /nfs/dbraw/zinc/39/91/37/569399137.db2.gz KAIQYGVHOZNPMV-UHFFFAOYSA-N 1 0 416.978 4.343 50 0 HIAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002436113 569399608 /nfs/dbraw/zinc/39/96/08/569399608.db2.gz MPNRBBMUNZERSX-GOSISDBHSA-N 1 0 417.292 4.207 50 0 HIAARO O=C(Cn1nc(-c2ccccc2)c2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013369554 569412685 /nfs/dbraw/zinc/41/26/85/569412685.db2.gz DMLWJTSNXMMSBA-UHFFFAOYSA-N 1 0 424.548 4.484 50 0 HIAARO FC(F)(F)c1ccc(NCC[NH2+]Cc2ccccc2OCc2cccnc2)nc1 ZINC000079061140 569426327 /nfs/dbraw/zinc/42/63/27/569426327.db2.gz XSOONZPONNOFFO-UHFFFAOYSA-N 1 0 402.420 4.276 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(CC[NH+](C)C)C3=O ZINC000008549483 571077969 /nfs/dbraw/zinc/07/79/69/571077969.db2.gz GHDJNLPFRJKUDN-FQEVSTJZSA-N 1 0 410.901 4.170 50 0 HIAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)n1 ZINC000008718599 571106068 /nfs/dbraw/zinc/10/60/68/571106068.db2.gz XTQZGWQRHXYOHH-UHFFFAOYSA-N 1 0 415.316 4.046 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)[NH+](C)C)cc1 ZINC000008749006 571111573 /nfs/dbraw/zinc/11/15/73/571111573.db2.gz IZXKBMKCZBSJGM-HXUWFJFHSA-N 1 0 423.538 4.042 50 0 HIAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC[NH+](C)C)occ3-c1ccccc1 ZINC000008879593 571131095 /nfs/dbraw/zinc/13/10/95/571131095.db2.gz BZQIPTWGEDHOTG-UHFFFAOYSA-N 1 0 418.493 4.125 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)C[C@H](NC(N)=O)c1ccccc1)C1CCCCC1 ZINC000040057941 571146026 /nfs/dbraw/zinc/14/60/26/571146026.db2.gz ZZYRGWIUBPDRSV-QFIPXVFZSA-N 1 0 408.546 4.189 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1cccs1 ZINC000040104508 571165409 /nfs/dbraw/zinc/16/54/09/571165409.db2.gz ZCMXIPHLQVWJAH-INIZCTEOSA-N 1 0 414.556 4.486 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000040118851 571175123 /nfs/dbraw/zinc/17/51/23/571175123.db2.gz KPFHQJUUZLJRAF-BGYRXZFFSA-N 1 0 417.557 4.032 50 0 HIAARO CCC(CC)(CNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)[NH+](C)C ZINC000040152307 571200004 /nfs/dbraw/zinc/20/00/04/571200004.db2.gz KWMAQDVNZNRGDM-UHFFFAOYSA-N 1 0 400.498 4.320 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000009328283 571248336 /nfs/dbraw/zinc/24/83/36/571248336.db2.gz HNBJRZWZNGITGH-QFIPXVFZSA-N 1 0 422.500 4.436 50 0 HIAARO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000070017086 571254481 /nfs/dbraw/zinc/25/44/81/571254481.db2.gz LJHYLPHFJQFPJK-OAQYLSRUSA-N 1 0 406.570 4.400 50 0 HIAARO Cc1ccc(Nc2nc(NCC[NH+](C)C)nc3c2cnn3-c2ccccc2)cc1C ZINC000009573527 571269372 /nfs/dbraw/zinc/26/93/72/571269372.db2.gz UPAZOMJFUXPAJI-UHFFFAOYSA-N 1 0 401.518 4.149 50 0 HIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3noc4c3CCc3sccc3-4)CC2)cc1 ZINC000009642651 571275909 /nfs/dbraw/zinc/27/59/09/571275909.db2.gz LJGMWRAZGKYTQL-UHFFFAOYSA-N 1 0 421.566 4.452 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000009932200 571290990 /nfs/dbraw/zinc/29/09/90/571290990.db2.gz XZNDWSHCISRGKU-UHFFFAOYSA-N 1 0 406.555 4.451 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1)NCc1ccccc1F ZINC000011820616 845837191 /nfs/dbraw/zinc/83/71/91/845837191.db2.gz JGLZTFNAPGOMDW-HXUWFJFHSA-N 1 0 420.532 4.320 50 0 HIAARO CSc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000011950887 845843042 /nfs/dbraw/zinc/84/30/42/845843042.db2.gz DRSUWKFLUSTKMR-LJQANCHMSA-N 1 0 406.555 4.445 50 0 HIAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4cccc5ncccc54)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000011998104 845846780 /nfs/dbraw/zinc/84/67/80/845846780.db2.gz NEHDXKSNBQPANS-YLORPAJWSA-N 1 0 413.521 4.181 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2nc(-c3ccccc3)cs2)c1 ZINC000012133441 845856087 /nfs/dbraw/zinc/85/60/87/845856087.db2.gz SOVUXHOXWUPVCA-FQEVSTJZSA-N 1 0 421.566 4.490 50 0 HIAARO COc1cc2c(cc1CN1CC[C@]3(C1)CCC[N@H+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209888 845860080 /nfs/dbraw/zinc/86/00/80/845860080.db2.gz RONCEGXNSRQNOI-RUZDIDTESA-N 1 0 408.542 4.220 50 0 HIAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCCCC1 ZINC000012299158 845866149 /nfs/dbraw/zinc/86/61/49/845866149.db2.gz YVNBKDLUJYMOEN-UHFFFAOYSA-N 1 0 413.949 4.405 50 0 HIAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C/C=C/c3ccco3)CC2)cc1 ZINC000012304473 845867260 /nfs/dbraw/zinc/86/72/60/845867260.db2.gz PEIWNVAUBKQKNB-ZZXKWVIFSA-N 1 0 417.509 4.161 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)C1CCCC1 ZINC000012386980 845869407 /nfs/dbraw/zinc/86/94/07/845869407.db2.gz IPBGOGJVRVDOMV-UHFFFAOYSA-N 1 0 418.488 4.450 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccccn2)CC1 ZINC000012436250 845871397 /nfs/dbraw/zinc/87/13/97/845871397.db2.gz UKHOLWBNFYLORP-UHFFFAOYSA-N 1 0 414.553 4.340 50 0 HIAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000012707026 845885365 /nfs/dbraw/zinc/88/53/65/845885365.db2.gz HGFGRJGBJREFEB-GOSISDBHSA-N 1 0 407.489 4.330 50 0 HIAARO COc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)ccc1OC1CC[NH+](C)CC1 ZINC000012753966 845888638 /nfs/dbraw/zinc/88/86/38/845888638.db2.gz RUJPBHJINQWATK-UHFFFAOYSA-N 1 0 424.516 4.237 50 0 HIAARO Cn1c(=O)c(Cc2c(F)cccc2Cl)cc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000014538734 845956822 /nfs/dbraw/zinc/95/68/22/845956822.db2.gz ILGGSMFGKFGZRD-UHFFFAOYSA-N 1 0 412.892 4.033 50 0 HIAARO C[C@H](COc1ccccc1)[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000014974441 845995998 /nfs/dbraw/zinc/99/59/98/845995998.db2.gz GKIHLYFCWGVDQX-HXUWFJFHSA-N 1 0 418.541 4.169 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2cnc(SC)nc2)cc1 ZINC000015064411 846005654 /nfs/dbraw/zinc/00/56/54/846005654.db2.gz AWXAOIKDACYOKB-IBGZPJMESA-N 1 0 409.559 4.196 50 0 HIAARO Fc1cccc2ccc(CN3CCC[C@@H]([NH+]4CCN(c5ccccc5)CC4)C3)nc12 ZINC000019800210 846372952 /nfs/dbraw/zinc/37/29/52/846372952.db2.gz UQIFHKOXXRJBKL-HSZRJFAPSA-N 1 0 404.533 4.161 50 0 HIAARO COCCN(Cc1cccc(OC)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055099417 849969250 /nfs/dbraw/zinc/96/92/50/849969250.db2.gz TVMLANAORKDGJP-JOCHJYFZSA-N 1 0 408.586 4.023 50 0 HIAARO CCN(Cc1cnc(SC)nc1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000055199199 849985593 /nfs/dbraw/zinc/98/55/93/849985593.db2.gz UVPAGHIBXDSTGC-LJQANCHMSA-N 1 0 402.583 4.114 50 0 HIAARO O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000096891869 852557291 /nfs/dbraw/zinc/55/72/91/852557291.db2.gz CFQGHILJCLBFOV-FPLPWBNLSA-N 1 0 412.917 4.037 50 0 HIAARO CCOc1cc(C[NH+]2CCC(NC(=O)/C(C)=C/c3ccc(F)cc3)CC2)ccc1O ZINC000170605925 853668099 /nfs/dbraw/zinc/66/80/99/853668099.db2.gz ACJQAXIKAHEATO-SAPNQHFASA-N 1 0 412.505 4.114 50 0 HIAARO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000257175043 854233101 /nfs/dbraw/zinc/23/31/01/854233101.db2.gz NGOCWQZTGCDKDO-OAQYLSRUSA-N 1 0 422.447 4.013 50 0 HIAARO Cc1cc2nc(N3CCC([NH2+]CCc4cn5ccsc5n4)CC3)nc(C)c2cc1C ZINC000299757423 854280479 /nfs/dbraw/zinc/28/04/79/854280479.db2.gz HEOULHZQNMFLPO-UHFFFAOYSA-N 1 0 420.586 4.065 50 0 HIAARO COc1ccc(C(=O)N2CCC([N@@H+]3CC4(CCCCC4)[C@@H]3c3ccncc3)CC2)cn1 ZINC000575317522 948644065 /nfs/dbraw/zinc/64/40/65/948644065.db2.gz WNGVLOHYTNZGBM-QHCPKHFHSA-N 1 0 420.557 4.097 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000575547939 948676687 /nfs/dbraw/zinc/67/66/87/948676687.db2.gz APPWOIYBBZTTMD-GOSISDBHSA-N 1 0 424.570 4.101 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1C[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000575547730 948677610 /nfs/dbraw/zinc/67/76/10/948677610.db2.gz SWZGWIMAOACWOY-GOSISDBHSA-N 1 0 406.530 4.119 50 0 HIAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000705435 132231068 /nfs/dbraw/zinc/23/10/68/132231068.db2.gz JDXXSQANIQRGPD-UHFFFAOYSA-N 1 0 415.537 4.416 50 0 aggregator HIAARO CC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000004658122 132281056 /nfs/dbraw/zinc/28/10/56/132281056.db2.gz RPVYPRGIMFSXSN-UHFFFAOYSA-N 1 0 413.525 4.238 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908328 132293230 /nfs/dbraw/zinc/29/32/30/132293230.db2.gz HUWFSKQRTGZECK-NRFANRHFSA-N 1 0 409.599 4.321 50 0 HIAARO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc2c1 ZINC000008026344 132327158 /nfs/dbraw/zinc/32/71/58/132327158.db2.gz FEMFHLOBMAPVRX-SFHVURJKSA-N 1 0 403.526 4.342 50 0 HIAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]CCc3ccncc3)CC2)c1 ZINC000011782443 132350452 /nfs/dbraw/zinc/35/04/52/132350452.db2.gz HUVYXHKUHQYPMJ-UHFFFAOYSA-N 1 0 406.574 4.402 50 0 HIAARO CC(=O)Nc1ccc2c(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2c1 ZINC000032759533 519734561 /nfs/dbraw/zinc/73/45/61/519734561.db2.gz YPHJMUCCQOOMKE-XMMPIXPASA-N 1 0 422.481 4.010 50 0 HIAARO CC(C)c1ccc(S(=O)(=O)NC2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000032916493 519838558 /nfs/dbraw/zinc/83/85/58/519838558.db2.gz WUDUBURTMICMCX-UHFFFAOYSA-N 1 0 400.588 4.186 50 0 HIAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OC(C)C ZINC000040729078 520719685 /nfs/dbraw/zinc/71/96/85/520719685.db2.gz IKIUYABJGCEASU-SFHVURJKSA-N 1 0 408.336 4.458 50 0 HIAARO C[NH2+]CCCNCc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040719966 521998667 /nfs/dbraw/zinc/99/86/67/521998667.db2.gz KHBWOJHNPABNPJ-UHFFFAOYSA-N 1 0 407.352 4.044 50 0 HIAARO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734463 522438971 /nfs/dbraw/zinc/43/89/71/522438971.db2.gz VKGGXKSNLDNYJN-UHFFFAOYSA-N 1 0 421.335 4.282 50 0 HIAARO C[NH+](C)CCCNc1ncnc2c1[C@@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000044928713 524057403 /nfs/dbraw/zinc/05/74/03/524057403.db2.gz OSUXDDWJYUCNAV-IBGZPJMESA-N 1 0 410.905 4.485 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cs1 ZINC000032931183 526913148 /nfs/dbraw/zinc/91/31/48/526913148.db2.gz WLCMZRQJLLRIEN-INIZCTEOSA-N 1 0 403.617 4.233 50 0 HIAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]CCCN2CCOCC2)c1 ZINC000040720330 526979527 /nfs/dbraw/zinc/97/95/27/526979527.db2.gz VWYWXVZOMSZRKL-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000032922034 527010888 /nfs/dbraw/zinc/01/08/88/527010888.db2.gz RZCXVXVCZIWRRH-QFIPXVFZSA-N 1 0 409.530 4.400 50 0 HIAARO Cc1nc2cccnc2n1-c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1C ZINC000032931980 527181041 /nfs/dbraw/zinc/18/10/41/527181041.db2.gz UJJINQYSCUDAIZ-UHFFFAOYSA-N 1 0 417.557 4.128 50 0 HIAARO OCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000040744194 527537313 /nfs/dbraw/zinc/53/73/13/527537313.db2.gz VSOVZMYLKQBVOU-UHFFFAOYSA-N 1 0 403.114 4.334 50 0 HIAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040743797 527541245 /nfs/dbraw/zinc/54/12/45/527541245.db2.gz LUPFIJBJPBKWCT-UHFFFAOYSA-N 1 0 402.691 4.293 50 0 HIAARO CC[NH+]1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000007268387 535753959 /nfs/dbraw/zinc/75/39/59/535753959.db2.gz ZFWDRPSTCIUTKH-UHFFFAOYSA-N 1 0 401.938 4.278 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]Cc2ccncc2)cc1Br ZINC000034990982 557120192 /nfs/dbraw/zinc/12/01/92/557120192.db2.gz WUHQKMFTWIXEQQ-UHFFFAOYSA-N 1 0 400.114 4.295 50 0 HIAARO CC[N@@H+]1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@H]1c1ccccc1 ZINC000034667412 557361063 /nfs/dbraw/zinc/36/10/63/557361063.db2.gz LILDPIDCFWXUFF-AREMUKBSSA-N 1 0 400.522 4.349 50 0 HIAARO CC(C)(C)NC(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000034682083 557383949 /nfs/dbraw/zinc/38/39/49/557383949.db2.gz NFMDCJKRBZEFDR-UHFFFAOYSA-N 1 0 415.969 4.367 50 0 HIAARO Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)CC(C)(C)C)CC3)CC2)cc1C ZINC000034912111 557473243 /nfs/dbraw/zinc/47/32/43/557473243.db2.gz RVLHDLSOOAPXFZ-UHFFFAOYSA-N 1 0 413.606 4.381 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc(I)c1O ZINC000004988976 557621845 /nfs/dbraw/zinc/62/18/45/557621845.db2.gz JZAASMHKFMEDIL-HIFRSBDPSA-N 1 0 401.288 4.160 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1 ZINC000005090859 557634551 /nfs/dbraw/zinc/63/45/51/557634551.db2.gz BCRKWGHGOSJYJB-LJQANCHMSA-N 1 0 402.336 4.357 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(OC)c1 ZINC000022701020 557795406 /nfs/dbraw/zinc/79/54/06/557795406.db2.gz PRRMWLISMCHONW-JOCHJYFZSA-N 1 0 421.541 4.482 50 0 HIAARO c1ccc(COc2cccc(C[NH2+]CCSc3nnnn3-c3ccccc3)c2)cc1 ZINC000009249987 557832609 /nfs/dbraw/zinc/83/26/09/557832609.db2.gz AWXANMRNTFPMCZ-UHFFFAOYSA-N 1 0 417.538 4.123 50 0 HIAARO Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000010233133 557857737 /nfs/dbraw/zinc/85/77/37/557857737.db2.gz ITGOUOWZRDRLNF-JOCHJYFZSA-N 1 0 404.510 4.215 50 0 HIAARO CC(C)Cc1cc(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)[nH]n1 ZINC000019739637 558260703 /nfs/dbraw/zinc/26/07/03/558260703.db2.gz HVFVUFSUDVVXDI-UHFFFAOYSA-N 1 0 409.496 4.444 50 0 HIAARO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000011664848 558268508 /nfs/dbraw/zinc/26/85/08/558268508.db2.gz JBYGPFKDNUBPII-IBGZPJMESA-N 1 0 416.997 4.288 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@H](CO)C2)cc1F ZINC000011705678 558270759 /nfs/dbraw/zinc/27/07/59/558270759.db2.gz UBMVCJHPPFJHIB-SFHVURJKSA-N 1 0 409.505 4.200 50 0 HIAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000011753484 558272184 /nfs/dbraw/zinc/27/21/84/558272184.db2.gz QJVDEYDRUXNNGO-QGZVFWFLSA-N 1 0 424.570 4.009 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000011813173 558278036 /nfs/dbraw/zinc/27/80/36/558278036.db2.gz OPGNGCLNQNMVIO-NRFANRHFSA-N 1 0 424.541 4.364 50 0 HIAARO Cc1ccnc(C[C@H](C)[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1 ZINC000011821658 558284809 /nfs/dbraw/zinc/28/48/09/558284809.db2.gz USWHFCGELDQTHK-FQEVSTJZSA-N 1 0 417.557 4.036 50 0 HIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000011844484 558289332 /nfs/dbraw/zinc/28/93/32/558289332.db2.gz MLVJVBPVGNBVNB-JOCHJYFZSA-N 1 0 421.585 4.428 50 0 HIAARO O=C(C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000019840109 558293733 /nfs/dbraw/zinc/29/37/33/558293733.db2.gz VNZGTQKVWXNTMJ-JOCHJYFZSA-N 1 0 419.569 4.338 50 0 HIAARO Cc1cccn2c(C[N@@H+]3CC[C@H](c4ccccc4F)C3)c(C(=O)N3CCCCC3)nc12 ZINC000019840039 558293756 /nfs/dbraw/zinc/29/37/56/558293756.db2.gz YUAZWQGMDHLMJJ-IBGZPJMESA-N 1 0 420.532 4.397 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccccn1 ZINC000011879506 558294311 /nfs/dbraw/zinc/29/43/11/558294311.db2.gz DEDRCGXRIJYACR-UHFFFAOYSA-N 1 0 405.464 4.127 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1ccccc1OC(F)(F)F ZINC000011910615 558296524 /nfs/dbraw/zinc/29/65/24/558296524.db2.gz KSGKNGXGRCETKH-QGZVFWFLSA-N 1 0 410.411 4.395 50 0 HIAARO CC(C)=CC[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011910852 558296674 /nfs/dbraw/zinc/29/66/74/558296674.db2.gz LVHPXAHTECTCIK-QFIPXVFZSA-N 1 0 423.605 4.236 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccc(OC(F)(F)F)c1 ZINC000011976723 558305580 /nfs/dbraw/zinc/30/55/80/558305580.db2.gz MPBIHJRXKHMYEU-KRWDZBQOSA-N 1 0 410.411 4.395 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1 ZINC000012090663 558324015 /nfs/dbraw/zinc/32/40/15/558324015.db2.gz UTWGJIZTKRZUBK-FQEVSTJZSA-N 1 0 400.588 4.482 50 0 HIAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1 ZINC000012112216 558326663 /nfs/dbraw/zinc/32/66/63/558326663.db2.gz ZYDMYQAFPVQPPO-SFHVURJKSA-N 1 0 416.949 4.451 50 0 HIAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000012127989 558331579 /nfs/dbraw/zinc/33/15/79/558331579.db2.gz YGNVSNBDTZPMCV-QHCPKHFHSA-N 1 0 406.570 4.273 50 0 HIAARO O=C(NCCCOc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1)[C@H]1CCCO1 ZINC000012149830 558338504 /nfs/dbraw/zinc/33/85/04/558338504.db2.gz HFDJGLBSFMFEEA-RUZDIDTESA-N 1 0 420.553 4.040 50 0 HIAARO c1ccc(CC[N@@H+]2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211743 558347796 /nfs/dbraw/zinc/34/77/96/558347796.db2.gz BHVJAZKNZTXMOM-RUZDIDTESA-N 1 0 402.542 4.267 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1cscn1 ZINC000012204078 558352343 /nfs/dbraw/zinc/35/23/43/558352343.db2.gz FHCYTXSSONINIO-UHFFFAOYSA-N 1 0 411.493 4.189 50 0 HIAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](CCc2ccccc2)CC1 ZINC000012226685 558357031 /nfs/dbraw/zinc/35/70/31/558357031.db2.gz GCJYYZODYYCJHB-UHFFFAOYSA-N 1 0 418.541 4.170 50 0 HIAARO CN(C)c1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301581 558371130 /nfs/dbraw/zinc/37/11/30/558371130.db2.gz KMDCRQINTXNQGX-GOSISDBHSA-N 1 0 407.027 4.249 50 0 HIAARO CCOc1c(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)cc1OC ZINC000020476696 558374518 /nfs/dbraw/zinc/37/45/18/558374518.db2.gz UIVCDZQNAUUOLW-UHFFFAOYSA-N 1 0 424.335 4.206 50 0 HIAARO CCCc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)no1 ZINC000012306071 558374871 /nfs/dbraw/zinc/37/48/71/558374871.db2.gz UYPXUUADZBKJTH-UHFFFAOYSA-N 1 0 410.562 4.319 50 0 HIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccc(CN(C)C)o1 ZINC000012431595 558406174 /nfs/dbraw/zinc/40/61/74/558406174.db2.gz VJSJHLJCHGXHIE-UHFFFAOYSA-N 1 0 411.590 4.066 50 0 HIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4cccc(F)c4)CC3)cc2)n1 ZINC000012432093 558406537 /nfs/dbraw/zinc/40/65/37/558406537.db2.gz OEZRPZULDPCMCR-UHFFFAOYSA-N 1 0 406.505 4.479 50 0 HIAARO O=C(C1CCCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012433159 558407187 /nfs/dbraw/zinc/40/71/87/558407187.db2.gz TXPVTCGLCGWXOW-VWLOTQADSA-N 1 0 410.602 4.064 50 0 HIAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c(-n2cccn2)c1 ZINC000012443635 558413010 /nfs/dbraw/zinc/41/30/10/558413010.db2.gz BDEVBPUITMMABV-HXUWFJFHSA-N 1 0 420.532 4.270 50 0 HIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874772 558418785 /nfs/dbraw/zinc/41/87/85/558418785.db2.gz WKDZWRLZDBRSSW-UHFFFAOYSA-N 1 0 421.379 4.386 50 0 HIAARO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1CC1CCCCC1 ZINC000020907551 558421325 /nfs/dbraw/zinc/42/13/25/558421325.db2.gz WUJRPENQKYFDGH-QFIPXVFZSA-N 1 0 404.982 4.065 50 0 HIAARO CCN1C[C@H](C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012469472 558421518 /nfs/dbraw/zinc/42/15/18/558421518.db2.gz DSYZWFLJFPZTBF-NRFANRHFSA-N 1 0 416.569 4.456 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1)N1CCCC1 ZINC000012478700 558423197 /nfs/dbraw/zinc/42/31/97/558423197.db2.gz DYPGGOXCYZJGGH-UHFFFAOYSA-N 1 0 412.965 4.412 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CCc1ccc(F)c(F)c1 ZINC000012570572 558428821 /nfs/dbraw/zinc/42/88/21/558428821.db2.gz WFKAXZLBRWQXDU-IBGZPJMESA-N 1 0 418.503 4.450 50 0 HIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2C)CC1 ZINC000012571222 558429007 /nfs/dbraw/zinc/42/90/07/558429007.db2.gz QXZRPGKHDQJXEN-RHYRFBSLSA-N 1 0 412.603 4.369 50 0 HIAARO O=C(c1ccsc1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012583102 558433162 /nfs/dbraw/zinc/43/31/62/558433162.db2.gz RSAYGVYDUREZHQ-OAQYLSRUSA-N 1 0 416.562 4.421 50 0 HIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012595274 558437455 /nfs/dbraw/zinc/43/74/55/558437455.db2.gz UZDDLQFOEXOJAP-VWLOTQADSA-N 1 0 424.541 4.259 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+]([C@H](C)CCn2cccn2)CC1 ZINC000012612463 558438959 /nfs/dbraw/zinc/43/89/59/558438959.db2.gz DCJXDQFEKZGDHZ-GOSISDBHSA-N 1 0 403.954 4.203 50 0 HIAARO CCCn1cc(C[NH+]2CCC(CCOc3ccccc3)(C(=O)OCC)CC2)c(C)n1 ZINC000012703445 558448601 /nfs/dbraw/zinc/44/86/01/558448601.db2.gz XTJOBTOVBUELIX-UHFFFAOYSA-N 1 0 413.562 4.216 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012705150 558449552 /nfs/dbraw/zinc/44/95/52/558449552.db2.gz OZKLQNHMWCBPLI-UHFFFAOYSA-N 1 0 415.917 4.457 50 0 HIAARO O=C(C1CCCCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012708415 558450769 /nfs/dbraw/zinc/45/07/69/558450769.db2.gz MNZHCPLOVPKGTK-SANMLTNESA-N 1 0 424.629 4.454 50 0 HIAARO CCOc1cccc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711603 558452647 /nfs/dbraw/zinc/45/26/47/558452647.db2.gz WEVGBHZELZUWHP-HSZRJFAPSA-N 1 0 422.613 4.413 50 0 HIAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012711736 558452993 /nfs/dbraw/zinc/45/29/93/558452993.db2.gz DMEYKEZVQBHHIS-VWLOTQADSA-N 1 0 418.541 4.045 50 0 HIAARO O=C(Cc1ccccc1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012715464 558454969 /nfs/dbraw/zinc/45/49/69/558454969.db2.gz GUPIQXSZHQLKPV-DEOSSOPVSA-N 1 0 424.560 4.288 50 0 HIAARO CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000012716813 558455675 /nfs/dbraw/zinc/45/56/75/558455675.db2.gz WUCKOIXMQOWDIP-UHFFFAOYSA-N 1 0 404.514 4.371 50 0 HIAARO CCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004359614 558456838 /nfs/dbraw/zinc/45/68/38/558456838.db2.gz FVKPILZVDXRILQ-UHFFFAOYSA-N 1 0 401.507 4.433 50 0 HIAARO CCn1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746444 558458374 /nfs/dbraw/zinc/45/83/74/558458374.db2.gz HVKOIJIACVOFBB-IBGZPJMESA-N 1 0 408.512 4.308 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Br)cc1)c1cccc(OC)c1 ZINC000022700557 558505406 /nfs/dbraw/zinc/50/54/06/558505406.db2.gz YKDQFXVYFVOIMB-HXUWFJFHSA-N 1 0 419.363 4.200 50 0 HIAARO COc1ccc([C@@H](C[NH2+]Cc2c(OC)ccc3ccccc32)N2CCOCC2)cc1 ZINC000022789485 558511904 /nfs/dbraw/zinc/51/19/04/558511904.db2.gz KKMDUZPGNKSCLD-XMMPIXPASA-N 1 0 406.526 4.020 50 0 HIAARO O[C@H](COc1ccc2oc3ccccc3c2c1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022860289 558517463 /nfs/dbraw/zinc/51/74/63/558517463.db2.gz WINFWSHMWZKUIE-NRFANRHFSA-N 1 0 416.521 4.144 50 0 HIAARO Cc1c(Cl)cccc1NC(=O)CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000023095825 558534044 /nfs/dbraw/zinc/53/40/44/558534044.db2.gz YWKFFPKVTKSTNY-UHFFFAOYSA-N 1 0 401.982 4.173 50 0 HIAARO CC(C)n1cnn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000023254033 558546115 /nfs/dbraw/zinc/54/61/15/558546115.db2.gz SQAHSONSVXOSIR-UHFFFAOYSA-N 1 0 407.587 4.360 50 0 HIAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]Cc3cccn3-c3ncccn3)C2)cc1 ZINC000023374604 558554231 /nfs/dbraw/zinc/55/42/31/558554231.db2.gz MUNGDZDVFIGHKP-HSZRJFAPSA-N 1 0 403.574 4.220 50 0 HIAARO Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCC3)c(OCCC[NH+](C)C)c21 ZINC000013686019 558569779 /nfs/dbraw/zinc/56/97/79/558569779.db2.gz IKXRGVBSAQKYME-UHFFFAOYSA-N 1 0 424.570 4.233 50 0 HIAARO O=C1CCCN1CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013727558 558584970 /nfs/dbraw/zinc/58/49/70/558584970.db2.gz ZAYAVFJDAGWZPK-UHFFFAOYSA-N 1 0 417.347 4.130 50 0 HIAARO COc1ccc([C@H](C[NH2+]C2c3ccccc3-c3ccccc32)N2CCOCC2)cc1 ZINC000025702136 558648285 /nfs/dbraw/zinc/64/82/85/558648285.db2.gz FUWHNMFRKZLSRQ-VWLOTQADSA-N 1 0 400.522 4.428 50 0 HIAARO COc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764598 558649238 /nfs/dbraw/zinc/64/92/38/558649238.db2.gz NBIHFXFSUINSAU-OZXSUGGESA-N 1 0 420.553 4.015 50 0 HIAARO COc1cccc([C@@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000014252403 558650609 /nfs/dbraw/zinc/65/06/09/558650609.db2.gz HUCCNFIDGPLDOH-HXUWFJFHSA-N 1 0 407.341 4.498 50 0 HIAARO CC(C)CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014534500 558657580 /nfs/dbraw/zinc/65/75/80/558657580.db2.gz BEFLACXYBFMEAF-WIOPSUGQSA-N 1 0 420.597 4.465 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCCCCC2)cc1 ZINC000027582931 558675936 /nfs/dbraw/zinc/67/59/36/558675936.db2.gz OUCCYILTGWIPHC-KRWDZBQOSA-N 1 0 421.335 4.398 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccc(F)c(Cl)c1 ZINC000014880405 558675961 /nfs/dbraw/zinc/67/59/61/558675961.db2.gz DMWKPHIXISIQBH-IBGZPJMESA-N 1 0 416.924 4.423 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000014954868 558682033 /nfs/dbraw/zinc/68/20/33/558682033.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 1 0 422.548 4.461 50 0 HIAARO CC1(C)CC([NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000014961513 558684136 /nfs/dbraw/zinc/68/41/36/558684136.db2.gz ONPPEXUIOHGOPL-QGZVFWFLSA-N 1 0 402.583 4.100 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C[C@H](C)c3ccccc3)CC2)c1 ZINC000014973246 558688110 /nfs/dbraw/zinc/68/81/10/558688110.db2.gz BAEUDTMJGKXGPF-SFHVURJKSA-N 1 0 408.542 4.234 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027994222 558688933 /nfs/dbraw/zinc/68/89/33/558688933.db2.gz CJDZOPPWEQIDQE-UWJYYQICSA-N 1 0 416.949 4.459 50 0 HIAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)c1cccc2ccccc21 ZINC000014975036 558688956 /nfs/dbraw/zinc/68/89/56/558688956.db2.gz IREOIFBXDWDDOB-HXUWFJFHSA-N 1 0 400.522 4.417 50 0 HIAARO O=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000014979696 558690591 /nfs/dbraw/zinc/69/05/91/558690591.db2.gz VGSAUBGXTAAGPN-IBGZPJMESA-N 1 0 406.954 4.035 50 0 HIAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000014988909 558693539 /nfs/dbraw/zinc/69/35/39/558693539.db2.gz VMGLSPVGKAZJKY-HXUWFJFHSA-N 1 0 420.475 4.427 50 0 HIAARO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014990282 558693933 /nfs/dbraw/zinc/69/39/33/558693933.db2.gz OHYRPAMMOVFDQN-NRFANRHFSA-N 1 0 410.558 4.067 50 0 HIAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]CCO ZINC000028297156 558699298 /nfs/dbraw/zinc/69/92/98/558699298.db2.gz BQKBZPAAXDMCFT-JOCHJYFZSA-N 1 0 400.522 4.227 50 0 HIAARO CC(C)c1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000015044163 558704278 /nfs/dbraw/zinc/70/42/78/558704278.db2.gz LYNDFFXGWPJBHK-SFHVURJKSA-N 1 0 423.557 4.044 50 0 HIAARO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000015063887 558706536 /nfs/dbraw/zinc/70/65/36/558706536.db2.gz YUGDNLDRJVRAPJ-IBGZPJMESA-N 1 0 411.546 4.122 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1 ZINC000015064120 558706681 /nfs/dbraw/zinc/70/66/81/558706681.db2.gz HPCIHNJDJOCECV-NRFANRHFSA-N 1 0 422.569 4.071 50 0 HIAARO Cc1nonc1C(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000015071111 558712768 /nfs/dbraw/zinc/71/27/68/558712768.db2.gz CLONVDPXOJMAKH-UHFFFAOYSA-N 1 0 410.562 4.026 50 0 HIAARO COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000029384796 558714603 /nfs/dbraw/zinc/71/46/03/558714603.db2.gz IXOZILRITQKLJW-UHFFFAOYSA-N 1 0 416.543 4.039 50 0 HIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000015107178 558723281 /nfs/dbraw/zinc/72/32/81/558723281.db2.gz PIVDIKKSTPKCDY-WMZOPIPTSA-N 1 0 406.555 4.252 50 0 HIAARO CCOc1ccc(CCNC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1OCC ZINC000015261681 558729961 /nfs/dbraw/zinc/72/99/61/558729961.db2.gz HSWSKPZINSWVSP-JOCHJYFZSA-N 1 0 410.558 4.152 50 0 HIAARO COc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)c(OC)c1OC ZINC000030910897 558744479 /nfs/dbraw/zinc/74/44/79/558744479.db2.gz CGYSFKDNZXOPLC-GOSISDBHSA-N 1 0 422.928 4.432 50 0 HIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015947398 558763712 /nfs/dbraw/zinc/76/37/12/558763712.db2.gz BEACJNWQYUWGBV-INIZCTEOSA-N 1 0 422.348 4.326 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC000016694770 558800639 /nfs/dbraw/zinc/80/06/39/558800639.db2.gz XDKKJOVSQQHPNL-FQEVSTJZSA-N 1 0 407.514 4.238 50 0 HIAARO Cc1ccccc1-c1noc(-c2cccnc2N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000033004308 558827064 /nfs/dbraw/zinc/82/70/64/558827064.db2.gz KOWWZBAIYBZFGQ-UHFFFAOYSA-N 1 0 411.509 4.429 50 0 HIAARO Cc1ccc(C(C)C)cc1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004597923 558834018 /nfs/dbraw/zinc/83/40/18/558834018.db2.gz MPKJGHCFBGEXBG-UHFFFAOYSA-N 1 0 416.631 4.394 50 0 HIAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc2ccccc21 ZINC000018240748 558834290 /nfs/dbraw/zinc/83/42/90/558834290.db2.gz RYLDHEMBDUBCAH-NRFANRHFSA-N 1 0 417.896 4.439 50 0 HIAARO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC)cc3)C2=O)cc1 ZINC000018250335 558834733 /nfs/dbraw/zinc/83/47/33/558834733.db2.gz XBIGCESWCYXENL-JOCHJYFZSA-N 1 0 410.514 4.076 50 0 HIAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C[C@@H]1C ZINC000072313647 558840757 /nfs/dbraw/zinc/84/07/57/558840757.db2.gz PTPCKBINVHXRKO-LJNDWVFPSA-N 1 0 413.587 4.331 50 0 HIAARO Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCC[NH+]4CCCCC4)c3)n2)c1 ZINC000033025091 558844075 /nfs/dbraw/zinc/84/40/75/558844075.db2.gz SXBSHRKRATZNQA-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000060426032 558872805 /nfs/dbraw/zinc/87/28/05/558872805.db2.gz RERRNOKZDXSUQJ-CQSZACIVSA-N 1 0 407.436 4.110 50 0 HIAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cc2ccc(Cl)cc2nc1OCCc1ccccc1 ZINC000055132145 558873450 /nfs/dbraw/zinc/87/34/50/558873450.db2.gz ULOAGIWPAIZWLH-NRFANRHFSA-N 1 0 423.944 4.268 50 0 HIAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000019360089 558876092 /nfs/dbraw/zinc/87/60/92/558876092.db2.gz ANKIBSSXGRNMRX-HSZRJFAPSA-N 1 0 413.565 4.016 50 0 HIAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)sc2c1CCCCC2 ZINC000055439966 558881326 /nfs/dbraw/zinc/88/13/26/558881326.db2.gz DPILAFSUGRBIOW-HNNXBMFYSA-N 1 0 400.544 4.483 50 0 HIAARO CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCC[NH+](CC)CC)ccc21 ZINC000004675145 558886730 /nfs/dbraw/zinc/88/67/30/558886730.db2.gz NSSUPHWVDWLWHQ-UHFFFAOYSA-N 1 0 422.573 4.381 50 0 HIAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cn2ccccc2n1 ZINC000060367720 558889519 /nfs/dbraw/zinc/88/95/19/558889519.db2.gz FKLMDACFFVXSOR-UHFFFAOYSA-N 1 0 419.356 4.164 50 0 HIAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000058174598 558908931 /nfs/dbraw/zinc/90/89/31/558908931.db2.gz VTOMCFAXSOSBDN-IBGZPJMESA-N 1 0 405.498 4.135 50 0 HIAARO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@H](C)O1 ZINC000058224454 558913397 /nfs/dbraw/zinc/91/33/97/558913397.db2.gz ANWUSQFGMAREHE-PMACEKPBSA-N 1 0 408.542 4.440 50 0 HIAARO O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058381698 558923189 /nfs/dbraw/zinc/92/31/89/558923189.db2.gz UQCMLBGWPKXULB-HXUWFJFHSA-N 1 0 411.977 4.195 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261191 558928148 /nfs/dbraw/zinc/92/81/48/558928148.db2.gz QLEYMQYUCBQMOB-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261289 558928602 /nfs/dbraw/zinc/92/86/02/558928602.db2.gz CCALHDRRSOBCQR-UHFFFAOYSA-N 1 0 421.520 4.488 50 0 HIAARO C[NH+](C)[C@@H](CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccc(F)cc1 ZINC000059394336 558935317 /nfs/dbraw/zinc/93/53/17/558935317.db2.gz QYVQUVAWKSXRCL-SFHVURJKSA-N 1 0 422.838 4.018 50 0 HIAARO C[NH+](C)[C@H]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072419124 558978227 /nfs/dbraw/zinc/97/82/27/558978227.db2.gz YKLKPPHEFAXEGA-IBGZPJMESA-N 1 0 409.917 4.420 50 0 HIAARO Cn1ccnc1[C@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000097033765 558988216 /nfs/dbraw/zinc/98/82/16/558988216.db2.gz IKPPZTLRNLCGJO-LJQANCHMSA-N 1 0 400.320 4.456 50 0 HIAARO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000097033766 558988285 /nfs/dbraw/zinc/98/82/85/558988285.db2.gz IKPPZTLRNLCGJO-IBGZPJMESA-N 1 0 400.320 4.456 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1)NC[C@@H]1CCCO1 ZINC000067755055 558992323 /nfs/dbraw/zinc/99/23/23/558992323.db2.gz CQBJNKZNHJWMIC-FQEVSTJZSA-N 1 0 413.587 4.098 50 0 HIAARO CC(C)NC(=O)CC[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067758336 558992459 /nfs/dbraw/zinc/99/24/59/558992459.db2.gz YLLBZBIUUWHAKH-UHFFFAOYSA-N 1 0 403.526 4.128 50 0 HIAARO C[NH+](C)CC(C)(C)NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000067871481 558994257 /nfs/dbraw/zinc/99/42/57/558994257.db2.gz UGHHGKFIKYDMDC-UHFFFAOYSA-N 1 0 410.465 4.152 50 0 HIAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023115050 559012722 /nfs/dbraw/zinc/01/27/22/559012722.db2.gz XWUUVGXUGVNPOO-XLNBUVHKSA-N 1 0 419.009 4.056 50 0 HIAARO O=C(COc1ccc(Cl)cc1Cl)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128076 559016309 /nfs/dbraw/zinc/01/63/09/559016309.db2.gz BASZSHQSDHZDTP-UHFFFAOYSA-N 1 0 413.370 4.462 50 0 HIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc1 ZINC000095504323 559082906 /nfs/dbraw/zinc/08/29/06/559082906.db2.gz XNAUAIVXNZKTLM-SFHVURJKSA-N 1 0 401.501 4.231 50 0 HIAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000096138604 559095513 /nfs/dbraw/zinc/09/55/13/559095513.db2.gz HYRBCSJNZZGKJW-LJQANCHMSA-N 1 0 400.592 4.082 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccs1 ZINC000011614679 559114542 /nfs/dbraw/zinc/11/45/42/559114542.db2.gz SNTFJJNMAWSALL-KRWDZBQOSA-N 1 0 402.903 4.005 50 0 HIAARO COc1ccc2nc3oc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)cc3cc2c1 ZINC000004907771 559201040 /nfs/dbraw/zinc/20/10/40/559201040.db2.gz SSOVKPGWOYGVIP-UHFFFAOYSA-N 1 0 415.493 4.168 50 0 HIAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)cc1OC ZINC000004936136 559210719 /nfs/dbraw/zinc/21/07/19/559210719.db2.gz PMVQUGKEPMRLPK-OAQYLSRUSA-N 1 0 421.541 4.448 50 0 HIAARO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000408518254 559213470 /nfs/dbraw/zinc/21/34/70/559213470.db2.gz XYAKTNPSOVVAQW-URXFXBBRSA-N 1 0 422.569 4.322 50 0 HIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050909 559236996 /nfs/dbraw/zinc/23/69/96/559236996.db2.gz NGIUADZPMSMRPY-UHFFFAOYSA-N 1 0 404.535 4.486 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1ccccc1OC)c1nc2c(cccc2OC)s1 ZINC000005121973 559248631 /nfs/dbraw/zinc/24/86/31/559248631.db2.gz QKFODHHQNFGUHG-UHFFFAOYSA-N 1 0 413.543 4.302 50 0 HIAARO C[NH+](C)CCCN(C(=O)c1cccc(Cl)c1)c1nc2cc3c(cc2s1)OCO3 ZINC000005122449 559248679 /nfs/dbraw/zinc/24/86/79/559248679.db2.gz XYICDCOKRLZMRD-UHFFFAOYSA-N 1 0 417.918 4.277 50 0 HIAARO C[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C1CCCCC1 ZINC000005132342 559249544 /nfs/dbraw/zinc/24/95/44/559249544.db2.gz PBNBCZRBLOEQFX-UHFFFAOYSA-N 1 0 409.555 4.398 50 0 HIAARO COc1cccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248248377 559269245 /nfs/dbraw/zinc/26/92/45/559269245.db2.gz NQCIRBLFTLMGGH-ZCYQVOJMSA-N 1 0 423.601 4.446 50 0 HIAARO Cc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)CC2)c1 ZINC000061999405 560565258 /nfs/dbraw/zinc/56/52/58/560565258.db2.gz OXHMUXCCSHTPES-BFXCOLBMSA-N 1 0 408.586 4.431 50 0 HIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3C=C12 ZINC000061992836 560568629 /nfs/dbraw/zinc/56/86/29/560568629.db2.gz DJDMTKVUPCOQPO-AMZPDFMZSA-N 1 0 410.533 4.182 50 0 HIAARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)CC1 ZINC000061992864 560568817 /nfs/dbraw/zinc/56/88/17/560568817.db2.gz JYQVXEKPJQQPDT-RFRNZTGYSA-N 1 0 422.569 4.052 50 0 HIAARO CC[NH+](CC)CCCn1cnc2c(c1=N)[C@H](c1ccc(C)cc1)c1ccc(O)cc1O2 ZINC000005348895 560571112 /nfs/dbraw/zinc/57/11/12/560571112.db2.gz YRMPAPVGMUVPGA-JOCHJYFZSA-N 1 0 418.541 4.394 50 0 HIAARO Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000003147436 560739326 /nfs/dbraw/zinc/73/93/26/560739326.db2.gz HRSLQHRVJRUZGV-IBGZPJMESA-N 1 0 423.513 4.030 50 0 HIAARO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000107537131 560896633 /nfs/dbraw/zinc/89/66/33/560896633.db2.gz WEGCQYBKVQMRNY-GHTZIAJQSA-N 1 0 407.558 4.035 50 0 HIAARO CCc1nc2c([nH]c(N3CCN(c4cc(C)[nH+]c5ccccc54)CC3)cc2=O)s1 ZINC000108882531 568419788 /nfs/dbraw/zinc/41/97/88/568419788.db2.gz OZWRHXUSCHXDLX-UHFFFAOYSA-N 1 0 405.527 4.143 50 0 HIAARO Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000046044877 568424955 /nfs/dbraw/zinc/42/49/55/568424955.db2.gz ZQWLQHYDZJRHQZ-QFIPXVFZSA-N 1 0 405.542 4.082 50 0 HIAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1NC(=O)c1ccco1 ZINC000048314279 568439172 /nfs/dbraw/zinc/43/91/72/568439172.db2.gz CNUCWKAEHOGPOI-UHFFFAOYSA-N 1 0 423.488 4.183 50 0 HIAARO FC(F)(F)Oc1ccccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000048332742 568439350 /nfs/dbraw/zinc/43/93/50/568439350.db2.gz GTASMMMCEZQIMK-UHFFFAOYSA-N 1 0 404.182 4.366 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1 ZINC000048481300 568443008 /nfs/dbraw/zinc/44/30/08/568443008.db2.gz GUBUGRRKPVHUGB-LJQANCHMSA-N 1 0 408.527 4.425 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1 ZINC000048481299 568443054 /nfs/dbraw/zinc/44/30/54/568443054.db2.gz GUBUGRRKPVHUGB-IBGZPJMESA-N 1 0 408.527 4.425 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)Cc1ccccc1 ZINC000049574075 568452173 /nfs/dbraw/zinc/45/21/73/568452173.db2.gz WLGVHNBXQKWPIS-JOCHJYFZSA-N 1 0 415.537 4.091 50 0 HIAARO COc1ccccc1OCC[NH2+]CC(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000049587071 568453082 /nfs/dbraw/zinc/45/30/82/568453082.db2.gz PPEKNHALPGDQSG-UHFFFAOYSA-N 1 0 404.510 4.205 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000390829563 568492662 /nfs/dbraw/zinc/49/26/62/568492662.db2.gz ZTCUOFRRIABOEV-PABCKOPISA-N 1 0 423.557 4.290 50 0 HIAARO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000033015060 568510460 /nfs/dbraw/zinc/51/04/60/568510460.db2.gz XGXAWKQKLFEYCX-HSZRJFAPSA-N 1 0 419.521 4.057 50 0 HIAARO CCc1ccc2c(CC(=O)NC[C@@H](c3cccc(OC)c3)[NH+]3CCCC3)coc2c1 ZINC000024973049 568516484 /nfs/dbraw/zinc/51/64/84/568516484.db2.gz DHHOIIIUDWEALV-QHCPKHFHSA-N 1 0 406.526 4.500 50 0 HIAARO COc1ccc2ccccc2c1CCC(=O)N1CC(N2CCc3sccc3C2)C1 ZINC000390828346 568591613 /nfs/dbraw/zinc/59/16/13/568591613.db2.gz QOMOHLRHISSFEJ-UHFFFAOYSA-N 1 0 406.551 4.112 50 0 HIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000095393365 568604197 /nfs/dbraw/zinc/60/41/97/568604197.db2.gz VRSLJJMQJJJELN-VQTJNVASSA-N 1 0 405.380 4.323 50 0 HIAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000095397784 568604593 /nfs/dbraw/zinc/60/45/93/568604593.db2.gz JDLDWQAGLANKKN-INIZCTEOSA-N 1 0 406.448 4.426 50 0 HIAARO COc1ccc([C@@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446963 568608484 /nfs/dbraw/zinc/60/84/84/568608484.db2.gz CZTTXQZGPVVVHN-PKTZIBPZSA-N 1 0 403.950 4.308 50 0 HIAARO CC(C)c1ccc(OCCC(=O)Nc2cccc(CCN3CC[NH+](C)CC3)c2)cc1 ZINC000095457787 568618768 /nfs/dbraw/zinc/61/87/68/568618768.db2.gz RMCXZNKWXOWZPP-UHFFFAOYSA-N 1 0 409.574 4.008 50 0 HIAARO Brc1ccc([C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccco2)cc1 ZINC000095466825 568624297 /nfs/dbraw/zinc/62/42/97/568624297.db2.gz XWCYOLVQPLGVOW-HXUWFJFHSA-N 1 0 415.335 4.282 50 0 HIAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1cccc(F)c1 ZINC000020766693 568643296 /nfs/dbraw/zinc/64/32/96/568643296.db2.gz QXDLRLODLMOVNF-UHFFFAOYSA-N 1 0 401.485 4.152 50 0 HIAARO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)s2)cc1F ZINC000225510229 568644834 /nfs/dbraw/zinc/64/48/34/568644834.db2.gz MJGPIVBLPPCOAW-QGZVFWFLSA-N 1 0 402.539 4.274 50 0 HIAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(OC)c2)C1 ZINC000020927430 568651607 /nfs/dbraw/zinc/65/16/07/568651607.db2.gz PVBASLICSKZMFQ-UHFFFAOYSA-N 1 0 410.543 4.247 50 0 HIAARO COc1cccc(-c2noc(NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)c1 ZINC000020996859 568657094 /nfs/dbraw/zinc/65/70/94/568657094.db2.gz TXLDKOZIDUVSAG-IBGZPJMESA-N 1 0 421.545 4.066 50 0 HIAARO COc1ccccc1[C@@H](c1c(O)cc(C)n(Cc2ccco2)c1=O)[NH+]1CCCCC1 ZINC000021098121 568665970 /nfs/dbraw/zinc/66/59/70/568665970.db2.gz ULWACPYLIXRMPU-QHCPKHFHSA-N 1 0 408.498 4.088 50 0 aggregator HIAARO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1C(F)(F)F ZINC000225736726 568669583 /nfs/dbraw/zinc/66/95/83/568669583.db2.gz UVQRWHRWFPOSGO-QGZVFWFLSA-N 1 0 408.468 4.050 50 0 HIAARO Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000095972257 568671856 /nfs/dbraw/zinc/67/18/56/568671856.db2.gz CSVJAVPREICFQF-ICSRJNTNSA-N 1 0 402.583 4.127 50 0 HIAARO Cc1ccc([C@](O)(c2ccc(F)cc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170276 568676190 /nfs/dbraw/zinc/67/61/90/568676190.db2.gz ZPOSSQMHYNXGMX-FTJBHMTQSA-N 1 0 405.513 4.486 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000021175062 568676902 /nfs/dbraw/zinc/67/69/02/568676902.db2.gz SQWMBXYFDLVLDJ-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000096012276 568684468 /nfs/dbraw/zinc/68/44/68/568684468.db2.gz ZLULMOBBBFUFBC-BTYIYWSLSA-N 1 0 416.587 4.406 50 0 HIAARO O=C(CCn1ccc2ccc(Br)cc21)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000229711482 568714881 /nfs/dbraw/zinc/71/48/81/568714881.db2.gz QQYGRJKCRMSBOA-MJGOQNOKSA-N 1 0 418.379 4.175 50 0 HIAARO Cc1c(C(=O)Nc2ccc(C(C)C)cc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000021636610 568725470 /nfs/dbraw/zinc/72/54/70/568725470.db2.gz CYAWJAKMYCPXRJ-UHFFFAOYSA-N 1 0 409.559 4.127 50 0 HIAARO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231089 568730828 /nfs/dbraw/zinc/73/08/28/568730828.db2.gz KRVZTXPWPJALAL-BLLLJJGKSA-N 1 0 413.349 4.376 50 0 HIAARO Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000096386195 568742711 /nfs/dbraw/zinc/74/27/11/568742711.db2.gz ZWOWVMRYSFXZIH-UHFFFAOYSA-N 1 0 416.569 4.321 50 0 HIAARO O[C@H](C[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1)c1ccccc1 ZINC000247740229 568745569 /nfs/dbraw/zinc/74/55/69/568745569.db2.gz NMNNWXZQRYKVAM-HSZRJFAPSA-N 1 0 418.928 4.470 50 0 HIAARO O[C@H](C[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000247745081 568745722 /nfs/dbraw/zinc/74/57/22/568745722.db2.gz QKXIBRQQHHOUJN-HSZRJFAPSA-N 1 0 418.928 4.470 50 0 HIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249682301 568748585 /nfs/dbraw/zinc/74/85/85/568748585.db2.gz CCKUIQRVVWNNKM-LJQANCHMSA-N 1 0 424.976 4.281 50 0 HIAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000002460388 568772547 /nfs/dbraw/zinc/77/25/47/568772547.db2.gz IATFYPVNWZFBDM-UHFFFAOYSA-N 1 0 418.360 4.407 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055757507 568783149 /nfs/dbraw/zinc/78/31/49/568783149.db2.gz CFBVYNNDKVJNOH-SOUVJXGZSA-N 1 0 406.933 4.069 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002648734 568795720 /nfs/dbraw/zinc/79/57/20/568795720.db2.gz HQXPVMXSXNSMMW-XMMPIXPASA-N 1 0 404.510 4.064 50 0 HIAARO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 ZINC000057292125 568826199 /nfs/dbraw/zinc/82/61/99/568826199.db2.gz TXUWAKFOUXCCQC-DEOSSOPVSA-N 1 0 421.566 4.211 50 0 HIAARO CCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057312050 568826598 /nfs/dbraw/zinc/82/65/98/568826598.db2.gz PQTDQLNFJUHZAT-UHFFFAOYSA-N 1 0 410.587 4.012 50 0 HIAARO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2OC)cc1Br ZINC000057318486 568826879 /nfs/dbraw/zinc/82/68/79/568826879.db2.gz XAVAAEZILYSWIH-ZDUSSCGKSA-N 1 0 407.308 4.064 50 0 HIAARO Cc1ccc([C@@H](NCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547265 568852760 /nfs/dbraw/zinc/85/27/60/568852760.db2.gz HEDPYSADSXQTFP-VPUSJEBWSA-N 1 0 413.565 4.065 50 0 HIAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CC[NH2+]Cc1ccco1 ZINC000003268530 568870124 /nfs/dbraw/zinc/87/01/24/568870124.db2.gz UJGMKYHKSLFHSO-UHFFFAOYSA-N 1 0 416.474 4.442 50 0 HIAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCC(C)C)c(=O)cc21 ZINC000004027199 568878169 /nfs/dbraw/zinc/87/81/69/568878169.db2.gz LHWOOVDZIMDJFC-SFHVURJKSA-N 1 0 412.530 4.014 50 0 biogenic HIAARO COc1ccc([C@H](CNC(=O)Cc2c(Cl)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000003334504 568882605 /nfs/dbraw/zinc/88/26/05/568882605.db2.gz AUWWKUNGDALURF-FQEVSTJZSA-N 1 0 407.341 4.498 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)CC1 ZINC000058149038 568892382 /nfs/dbraw/zinc/89/23/82/568892382.db2.gz NJDDPIAGPJJCMD-UHFFFAOYSA-N 1 0 402.542 4.270 50 0 HIAARO O=C(COc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000001269931 568909530 /nfs/dbraw/zinc/90/95/30/568909530.db2.gz IHJOTHJKHOYPAW-FQEVSTJZSA-N 1 0 405.325 4.500 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012739585 568926872 /nfs/dbraw/zinc/92/68/72/568926872.db2.gz OAFYCCUPBQGOIK-CYBMUJFWSA-N 1 0 406.313 4.410 50 0 HIAARO COc1ccccc1N1C[C@@](O)(c2ccc(Br)cc2)[N+]2=C1CCCCC2 ZINC000004086857 568940468 /nfs/dbraw/zinc/94/04/68/568940468.db2.gz RHGVNCNRRRHJEV-OAQYLSRUSA-N 1 0 416.339 4.108 50 0 HIAARO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025946744 568941115 /nfs/dbraw/zinc/94/11/15/568941115.db2.gz YNMCTKQWAKLDET-UHFFFAOYSA-N 1 0 400.906 4.272 50 0 HIAARO COc1cccc([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+]2CCCC2)c1 ZINC000012762238 568946264 /nfs/dbraw/zinc/94/62/64/568946264.db2.gz MRTRNXIQHSZIMC-LJQANCHMSA-N 1 0 423.340 4.334 50 0 HIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000084544617 568950965 /nfs/dbraw/zinc/95/09/65/568950965.db2.gz SMIIMHWDHQDPEP-QHCPKHFHSA-N 1 0 419.492 4.044 50 0 HIAARO O=C(Cc1ccc(-n2cccn2)cc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000084615319 568953277 /nfs/dbraw/zinc/95/32/77/568953277.db2.gz DNEDSXKJAXSHGH-UHFFFAOYSA-N 1 0 422.960 4.193 50 0 HIAARO COc1ccc(NC(=O)c2ccc(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012774397 568953568 /nfs/dbraw/zinc/95/35/68/568953568.db2.gz JWAGOLVDTSFMIK-UHFFFAOYSA-N 1 0 418.493 4.351 50 0 HIAARO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651616 568954751 /nfs/dbraw/zinc/95/47/51/568954751.db2.gz XFLCKTJQLLSWJB-ZIAGYGMSSA-N 1 0 411.365 4.111 50 0 HIAARO COc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000084686425 568955477 /nfs/dbraw/zinc/95/54/77/568955477.db2.gz CBVIZNFBKFTCPR-AEFFLSMTSA-N 1 0 418.484 4.327 50 0 HIAARO COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000004281222 568958902 /nfs/dbraw/zinc/95/89/02/568958902.db2.gz VVGAEMSYGDDQPC-UHFFFAOYSA-N 1 0 400.544 4.265 50 0 HIAARO O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007988223 568965580 /nfs/dbraw/zinc/96/55/80/568965580.db2.gz GKFHVLIZXMWGMM-UHFFFAOYSA-N 1 0 404.554 4.309 50 0 HIAARO Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000008012066 568968236 /nfs/dbraw/zinc/96/82/36/568968236.db2.gz ICUVVGLNPRMXAG-UHFFFAOYSA-N 1 0 419.525 4.396 50 0 HIAARO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008201493 568982461 /nfs/dbraw/zinc/98/24/61/568982461.db2.gz XIHKANWURLMUFV-INIZCTEOSA-N 1 0 409.555 4.189 50 0 HIAARO CCc1cc([C@H](c2ccncc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546542 569000287 /nfs/dbraw/zinc/00/02/87/569000287.db2.gz PXYCKWTVUQGJED-NRFANRHFSA-N 1 0 424.570 4.278 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786961 569007700 /nfs/dbraw/zinc/00/77/00/569007700.db2.gz FNUHRXMCQBWGEY-UHFFFAOYSA-N 1 0 402.542 4.157 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc(F)c1 ZINC000012916849 569022369 /nfs/dbraw/zinc/02/23/69/569022369.db2.gz CXWUHGRSRFKOGN-FQEVSTJZSA-N 1 0 415.509 4.134 50 0 HIAARO CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)cc2c1OCOC2 ZINC000012931177 569024701 /nfs/dbraw/zinc/02/47/01/569024701.db2.gz JLMPURHLRXMUOK-UHFFFAOYSA-N 1 0 414.811 4.296 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccccc1)=N2 ZINC000035372761 569033727 /nfs/dbraw/zinc/03/37/27/569033727.db2.gz JSLGXNNCYYNZFI-UHFFFAOYSA-N 1 0 424.545 4.211 50 0 HIAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575620718 569038849 /nfs/dbraw/zinc/03/88/49/569038849.db2.gz LNGBKHFDJCWDTG-FQEVSTJZSA-N 1 0 406.461 4.005 50 0 HIAARO COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CC[NH+](C2CCCCC2)CC1 ZINC000035509973 569041754 /nfs/dbraw/zinc/04/17/54/569041754.db2.gz TZAZCMRJFKQXGD-UHFFFAOYSA-N 1 0 403.910 4.236 50 0 HIAARO O=C(CN[C@@H](c1cccs1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012980727 569046394 /nfs/dbraw/zinc/04/63/94/569046394.db2.gz GYLAMDLZXUIPRA-RUZDIDTESA-N 1 0 419.594 4.208 50 0 HIAARO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053846515 569048814 /nfs/dbraw/zinc/04/88/14/569048814.db2.gz JPDUFWSPJLPYDW-DEOSSOPVSA-N 1 0 415.537 4.426 50 0 HIAARO O=C(Nc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000013004620 569049573 /nfs/dbraw/zinc/04/95/73/569049573.db2.gz BHGCODQOBKIMKM-UHFFFAOYSA-N 1 0 419.550 4.395 50 0 HIAARO O=C(CN1CCc2ccccc2C1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000035731576 569053775 /nfs/dbraw/zinc/05/37/75/569053775.db2.gz NSMDNGXOKSEVQI-UHFFFAOYSA-N 1 0 420.534 4.111 50 0 HIAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCCC4)ccc3c2=O)c1 ZINC000001810973 569056188 /nfs/dbraw/zinc/05/61/88/569056188.db2.gz UHWQDSFQLWQRHL-GOSISDBHSA-N 1 0 409.482 4.038 50 0 HIAARO Cc1sc2ncnc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c2c1C ZINC000054074893 569056903 /nfs/dbraw/zinc/05/69/03/569056903.db2.gz POWWYVDIGCYLAJ-UHFFFAOYSA-N 1 0 402.951 4.163 50 0 HIAARO COc1ccc(OCC[N@H+](C)CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000089346367 569058660 /nfs/dbraw/zinc/05/86/60/569058660.db2.gz PVEWJWWIINFOAT-UHFFFAOYSA-N 1 0 415.509 4.089 50 0 HIAARO O[C@@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1F ZINC000006587257 569067795 /nfs/dbraw/zinc/06/77/95/569067795.db2.gz IRKNYYFMXHQFLF-PZJWPPBQSA-N 1 0 404.485 4.468 50 0 HIAARO Cc1cccc(-c2cnc(Nc3cccc(C(=O)NCCC[NH+]4CCCC4)c3)nc2)c1 ZINC000064605752 569071096 /nfs/dbraw/zinc/07/10/96/569071096.db2.gz QFMLRYYIXGFJCA-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO Clc1ccc(OCc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)cc1 ZINC000064761108 569091215 /nfs/dbraw/zinc/09/12/15/569091215.db2.gz PPXNMVHUNDKYML-UHFFFAOYSA-N 1 0 423.904 4.415 50 0 HIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccccc1 ZINC000036104597 569092606 /nfs/dbraw/zinc/09/26/06/569092606.db2.gz SAIRGQWXUIOTKJ-DEOSSOPVSA-N 1 0 419.521 4.304 50 0 HIAARO Cc1c(C)c(=O)oc2c1ccc1c2CN(C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000006720003 569098036 /nfs/dbraw/zinc/09/80/36/569098036.db2.gz LCZOGBGPNPNYGA-UHFFFAOYSA-N 1 0 404.510 4.226 50 0 HIAARO CCn1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc2c1c1ccccc1oc2=O ZINC000064839082 569106457 /nfs/dbraw/zinc/10/64/57/569106457.db2.gz XRGZJZYPBKAFKX-UHFFFAOYSA-N 1 0 417.509 4.020 50 0 HIAARO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006790337 569124223 /nfs/dbraw/zinc/12/42/23/569124223.db2.gz IFTXFDOVSCKHCK-JOCHJYFZSA-N 1 0 407.510 4.243 50 0 HIAARO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301496 569127997 /nfs/dbraw/zinc/12/79/97/569127997.db2.gz SVFFDEIXIHYNPE-OAQYLSRUSA-N 1 0 423.557 4.489 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](C)O ZINC000036305557 569129461 /nfs/dbraw/zinc/12/94/61/569129461.db2.gz VLTOPQZICCZKLI-SFHVURJKSA-N 1 0 409.530 4.481 50 0 HIAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC ZINC000036308569 569129842 /nfs/dbraw/zinc/12/98/42/569129842.db2.gz FNSHNFRMEIONCF-OAQYLSRUSA-N 1 0 409.530 4.192 50 0 HIAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000036343339 569142801 /nfs/dbraw/zinc/14/28/01/569142801.db2.gz VHHOTAFBXIDPJK-MBSDFSHPSA-N 1 0 421.541 4.256 50 0 HIAARO COc1ccc(OC)c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000006877388 569164150 /nfs/dbraw/zinc/16/41/50/569164150.db2.gz WFLHNEZRPVAMFL-SFHVURJKSA-N 1 0 409.530 4.006 50 0 HIAARO COc1ccc(-c2nnc(-c3cccnc3N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000065117732 569180844 /nfs/dbraw/zinc/18/08/44/569180844.db2.gz RFNNIZOASZYZFT-UHFFFAOYSA-N 1 0 419.529 4.262 50 0 HIAARO O=C(Nc1ccccc1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)nc1 ZINC000065256973 569208593 /nfs/dbraw/zinc/20/85/93/569208593.db2.gz RECNOCWUXUGHHK-NRFANRHFSA-N 1 0 406.917 4.356 50 0 HIAARO C=Cc1ccc(C[N@H+]2CCCN(c3ncccc3-c3nc(CCC)no3)CC2)cc1 ZINC000065257930 569209760 /nfs/dbraw/zinc/20/97/60/569209760.db2.gz CMKRTLPXHSENFA-UHFFFAOYSA-N 1 0 403.530 4.439 50 0 HIAARO Cc1cc2c(cc1C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)OCCCO2 ZINC000065315035 569223366 /nfs/dbraw/zinc/22/33/66/569223366.db2.gz GAYVTUAJUMCQBB-UHFFFAOYSA-N 1 0 410.514 4.273 50 0 HIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007374087 569234216 /nfs/dbraw/zinc/23/42/16/569234216.db2.gz VUYGIQSPVVCKRS-HKUYNNGSSA-N 1 0 410.461 4.010 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000170613537 569246926 /nfs/dbraw/zinc/24/69/26/569246926.db2.gz IFBCSZDQJPTZEC-GGAORHGYSA-N 1 0 416.521 4.454 50 0 HIAARO Cc1cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993698 569270889 /nfs/dbraw/zinc/27/08/89/569270889.db2.gz PFAYJGHDETZCAQ-XMMPIXPASA-N 1 0 421.516 4.266 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000017121183 569275097 /nfs/dbraw/zinc/27/50/97/569275097.db2.gz RHJZQQKZTFLHAO-NRFANRHFSA-N 1 0 410.945 4.364 50 0 HIAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000252552544 569294260 /nfs/dbraw/zinc/29/42/60/569294260.db2.gz UVYMOQUJOUDNEA-UHFFFAOYSA-N 1 0 401.498 4.435 50 0 HIAARO CN(C)[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000065889502 569301006 /nfs/dbraw/zinc/30/10/06/569301006.db2.gz IIOSTMZKDHDHRH-INIZCTEOSA-N 1 0 411.365 4.064 50 0 HIAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002275400 569327778 /nfs/dbraw/zinc/32/77/78/569327778.db2.gz APZPIHZLWJGGOA-UHFFFAOYSA-N 1 0 419.525 4.156 50 0 HIAARO CCN1C[C@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1=O ZINC000012055369 569365174 /nfs/dbraw/zinc/36/51/74/569365174.db2.gz MPTLJRKEEAKIRR-IBGZPJMESA-N 1 0 420.532 4.287 50 0 HIAARO CCc1ccc([C@H](CNC(=O)c2cccc(OCc3cscn3)c2)[NH+](C)C)cc1 ZINC000027597539 569375793 /nfs/dbraw/zinc/37/57/93/569375793.db2.gz JEWGQECZGRXFMR-QFIPXVFZSA-N 1 0 409.555 4.317 50 0 HIAARO C[NH+](C)CCCNc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCCC3 ZINC000002365606 569388101 /nfs/dbraw/zinc/38/81/01/569388101.db2.gz USMUQRJDOKQXRP-UHFFFAOYSA-N 1 0 414.550 4.219 50 0 HIAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002436110 569399671 /nfs/dbraw/zinc/39/96/71/569399671.db2.gz MPNRBBMUNZERSX-SFHVURJKSA-N 1 0 417.292 4.207 50 0 HIAARO CC[NH+](CC)CCCN/C=C1/c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000002439511 569400142 /nfs/dbraw/zinc/40/01/42/569400142.db2.gz ZFEVHSHEWHBASC-XLNRJJMWSA-N 1 0 405.542 4.153 50 0 HIAARO CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000028895642 569414166 /nfs/dbraw/zinc/41/41/66/569414166.db2.gz IAFDEXKUAHCSJQ-UHFFFAOYSA-N 1 0 413.827 4.258 50 0 HIAARO CCC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000078869638 569420892 /nfs/dbraw/zinc/42/08/92/569420892.db2.gz SVAXMYVZZXPGMK-SFTDATJTSA-N 1 0 404.551 4.092 50 0 HIAARO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079193537 569429518 /nfs/dbraw/zinc/42/95/18/569429518.db2.gz LTAUOCQLDHUCBH-GHTZIAJQSA-N 1 0 404.514 4.193 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596171 571087983 /nfs/dbraw/zinc/08/79/83/571087983.db2.gz NLFJDNWOXJTFDW-UHFFFAOYSA-N 1 0 416.500 4.497 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)cc2)CC1 ZINC000040017830 571139016 /nfs/dbraw/zinc/13/90/16/571139016.db2.gz CQLUNSDJVCIUNW-UHFFFAOYSA-N 1 0 408.468 4.061 50 0 HIAARO C[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000008912267 571148275 /nfs/dbraw/zinc/14/82/75/571148275.db2.gz OLEQPSNKPLRNNE-UHFFFAOYSA-N 1 0 402.470 4.127 50 0 HIAARO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000040103895 571164703 /nfs/dbraw/zinc/16/47/03/571164703.db2.gz ZTNVPQLLKDIGMY-UHFFFAOYSA-N 1 0 407.514 4.468 50 0 HIAARO CC(C)(C)c1ccc(OCC(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000245020862 571212173 /nfs/dbraw/zinc/21/21/73/571212173.db2.gz MKSDXUYDKONPEF-UHFFFAOYSA-N 1 0 404.620 4.087 50 0 HIAARO Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009328209 571248252 /nfs/dbraw/zinc/24/82/52/571248252.db2.gz WQNRLAPUFROGHA-HXUWFJFHSA-N 1 0 410.901 4.170 50 0 HIAARO CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](CC)CC2)cc1 ZINC000010214365 571296770 /nfs/dbraw/zinc/29/67/70/571296770.db2.gz QCWNNXQYBXFIDD-JOCHJYFZSA-N 1 0 421.541 4.449 50 0 HIAARO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000010225095 571297274 /nfs/dbraw/zinc/29/72/74/571297274.db2.gz YQGKOGMFADVCHL-MRXNPFEDSA-N 1 0 407.514 4.392 50 0 HIAARO C[C@H]1Sc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2NC1=O ZINC000010280650 571299271 /nfs/dbraw/zinc/29/92/71/571299271.db2.gz RUMBSNVDNXECMN-MRXNPFEDSA-N 1 0 409.555 4.035 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010333915 571300721 /nfs/dbraw/zinc/30/07/21/571300721.db2.gz NMGHZTZONHPRHK-HSZRJFAPSA-N 1 0 401.510 4.040 50 0 HIAARO O=C(Nc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000010456706 571303273 /nfs/dbraw/zinc/30/32/73/571303273.db2.gz UVBQQTCGKHYDKO-UHFFFAOYSA-N 1 0 417.509 4.448 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000014651156 571307538 /nfs/dbraw/zinc/30/75/38/571307538.db2.gz JVKYJODUIKCTFW-UHFFFAOYSA-N 1 0 402.445 4.232 50 0 HIAARO COc1cc(CN(C)Cc2ccccc2Cl)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012094441 845853102 /nfs/dbraw/zinc/85/31/02/845853102.db2.gz ZDURQBIHZMSMEJ-HXUWFJFHSA-N 1 0 420.981 4.061 50 0 HIAARO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC000012198690 845859484 /nfs/dbraw/zinc/85/94/84/845859484.db2.gz RTPXMZUKAWAOMU-HSZRJFAPSA-N 1 0 411.509 4.414 50 0 HIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(SC)cc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012386076 845869091 /nfs/dbraw/zinc/86/90/91/845869091.db2.gz OOLRUJKNGFAUOT-PTLVVNQVSA-N 1 0 408.567 4.355 50 0 HIAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014746934 845976548 /nfs/dbraw/zinc/97/65/48/845976548.db2.gz FHSXUFRXEAGOAZ-FCHUYYIVSA-N 1 0 412.549 4.302 50 0 HIAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000014882628 845989551 /nfs/dbraw/zinc/98/95/51/845989551.db2.gz WMMSTZBOIXIDCH-KRWDZBQOSA-N 1 0 413.521 4.249 50 0 HIAARO COc1cccc(C(=O)N(Cc2cccc(OCC[NH+]3CCCCC3)c2)C2CC2)c1 ZINC000014965230 845995828 /nfs/dbraw/zinc/99/58/28/845995828.db2.gz AFGNOSPIHJLCOA-UHFFFAOYSA-N 1 0 408.542 4.365 50 0 HIAARO O=C(C1CC[NH+](C2CCN(Cc3ccccc3-c3ccco3)CC2)CC1)N1CCCC1 ZINC000014962396 845995942 /nfs/dbraw/zinc/99/59/42/845995942.db2.gz WQUIOQYZRSVUFW-UHFFFAOYSA-N 1 0 421.585 4.245 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020271336 846382370 /nfs/dbraw/zinc/38/23/70/846382370.db2.gz AULZSLANGMKZND-BWAMLYQTSA-N 1 0 421.585 4.004 50 0 HIAARO CCn1nc(C)c(C[NH2+]CC2(N(C)Cc3ccccc3)Cc3ccccc3C2)c1C ZINC000023359902 846689194 /nfs/dbraw/zinc/68/91/94/846689194.db2.gz CFUJOJUXENHNAU-UHFFFAOYSA-N 1 0 402.586 4.279 50 0 HIAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C)CC3)c(C)o2)cc1 ZINC000055343721 850004145 /nfs/dbraw/zinc/00/41/45/850004145.db2.gz GCYVWJRKWDURRQ-UHFFFAOYSA-N 1 0 419.525 4.457 50 0 HIAARO C[NH+]1CCN(CCOc2ccccc2NC(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000089382707 852544805 /nfs/dbraw/zinc/54/48/05/852544805.db2.gz XNIISFXLAYUMLG-BUHFOSPRSA-N 1 0 415.537 4.118 50 0 HIAARO CCOc1c(Cl)cc(/C=C\C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000096585381 852551658 /nfs/dbraw/zinc/55/16/58/852551658.db2.gz MSDHGZNDKRMDJW-VJIACCKLSA-N 1 0 414.933 4.151 50 0 HIAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000195586285 853698377 /nfs/dbraw/zinc/69/83/77/853698377.db2.gz MMIIBAFDRDYJJI-UHFFFAOYSA-N 1 0 410.905 4.093 50 0 HIAARO COc1ccccc1-c1n[nH]cc1C[N@@H+]1CCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257182134 854234222 /nfs/dbraw/zinc/23/42/22/854234222.db2.gz OROJLPCDEXAMQA-JOCHJYFZSA-N 1 0 418.541 4.319 50 0 HIAARO CC[NH+]1CCC(CC(=O)N2CC3(C[C@H]2COCc2ccncc2)CCCCC3)CC1 ZINC000257190694 854234554 /nfs/dbraw/zinc/23/45/54/854234554.db2.gz NNZXWWWJFCGKFM-QHCPKHFHSA-N 1 0 413.606 4.272 50 0 HIAARO COc1ccc2c(c1)CCC[C@@H]2[NH+]1CC(c2nc(CCOc3cccc(C)c3)no2)C1 ZINC000257195233 854234672 /nfs/dbraw/zinc/23/46/72/854234672.db2.gz VRAQBGMARSEVGK-QHCPKHFHSA-N 1 0 419.525 4.485 50 0 HIAARO COc1ccc(OC)c(C[NH2+]C2CCN(c3nc(C)c4cc(C)ccc4n3)CC2)c1 ZINC000299770379 854281010 /nfs/dbraw/zinc/28/10/10/854281010.db2.gz SQYNAXQARRVYSI-UHFFFAOYSA-N 1 0 406.530 4.022 50 0 HIAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1CC(c1ccccc1)c1ccccc1 ZINC000299769607 854281125 /nfs/dbraw/zinc/28/11/25/854281125.db2.gz SPWAGHWYWHEXSZ-RSXGOPAZSA-N 1 0 419.613 4.177 50 0 HIAARO CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CCN(Cc2cc(Cl)ccc2F)CC3)o1 ZINC000409419759 855483358 /nfs/dbraw/zinc/48/33/58/855483358.db2.gz ZVQMXTSGLFICQS-KRWDZBQOSA-N 1 0 406.933 4.297 50 0 HIAARO COc1cccc(-c2cc(C(=O)NC[C@@H]3C[N@@H+](C(C)C)CC34CCCCC4)[nH]n2)c1 ZINC000409419679 855483398 /nfs/dbraw/zinc/48/33/98/855483398.db2.gz DAOGUXFGYPIJQK-LJQANCHMSA-N 1 0 410.562 4.106 50 0 HIAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000004711690 132285334 /nfs/dbraw/zinc/28/53/34/132285334.db2.gz OIDSPNFTVQGQSU-UHFFFAOYSA-N 1 0 417.509 4.021 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2)CC1 ZINC000004998427 132298097 /nfs/dbraw/zinc/29/80/97/132298097.db2.gz AAFYLFIBEZKMJU-UHFFFAOYSA-N 1 0 408.329 4.396 50 0 HIAARO Cc1ccc(N2CCN(c3c4ccccc4oc(=O)c3C[NH+]3CCCC3)CC2)c(C)c1 ZINC000007504118 132324834 /nfs/dbraw/zinc/32/48/34/132324834.db2.gz PLYDMWYELDUIPJ-UHFFFAOYSA-N 1 0 417.553 4.332 50 0 HIAARO COc1ccc(C[NH2+]C2CCN(c3nc(C)c4cc5c(cc4n3)CCC5)CC2)cc1 ZINC000011783238 132350424 /nfs/dbraw/zinc/35/04/24/132350424.db2.gz FANUMKCCWHIVSQ-UHFFFAOYSA-N 1 0 402.542 4.194 50 0 HIAARO Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000012514603 132361251 /nfs/dbraw/zinc/36/12/51/132361251.db2.gz UKRVSXABXWBNML-UHFFFAOYSA-N 1 0 421.463 4.092 50 0 HIAARO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012527418 132361867 /nfs/dbraw/zinc/36/18/67/132361867.db2.gz QXHJNCRRVNNCMF-RUZDIDTESA-N 1 0 415.537 4.035 50 0 HIAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccccc2Cl)CC1 ZINC000012543465 132362622 /nfs/dbraw/zinc/36/26/22/132362622.db2.gz DRAHDEZCOGHEQH-UHFFFAOYSA-N 1 0 411.855 4.292 50 0 HIAARO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000012592401 132364745 /nfs/dbraw/zinc/36/47/45/132364745.db2.gz FFALMJAEKGUGAI-QHCPKHFHSA-N 1 0 420.601 4.039 50 0 HIAARO O[C@@H](COc1ccc2oc3ccccc3c2c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000025330051 132486483 /nfs/dbraw/zinc/48/64/83/132486483.db2.gz ADUKAVBMAPRTDS-HXUWFJFHSA-N 1 0 402.494 4.148 50 0 HIAARO CC(C)Oc1c(Br)cc(C[NH2+]CCCCCO)cc1Br ZINC000040730625 519777565 /nfs/dbraw/zinc/77/75/65/519777565.db2.gz PBJSAMNASFXLIU-UHFFFAOYSA-N 1 0 409.162 4.251 50 0 HIAARO CC1(C)CC(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC(C)(C)[NH2+]1 ZINC000011424092 520285762 /nfs/dbraw/zinc/28/57/62/520285762.db2.gz GQISXZJMCFDOLA-NRFANRHFSA-N 1 0 406.526 4.180 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)ccc1Br)c1ccsc1 ZINC000031988658 520837587 /nfs/dbraw/zinc/83/75/87/520837587.db2.gz VFKORLOFAIRNTL-KRWDZBQOSA-N 1 0 411.365 4.332 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccccc1)c1ccccc1Cl ZINC000032316137 520862424 /nfs/dbraw/zinc/86/24/24/520862424.db2.gz MIXNQBBWZCLGQO-FCHUYYIVSA-N 1 0 415.965 4.107 50 0 HIAARO CCOC(=O)N1CCC([NH2+][C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000040161202 520932206 /nfs/dbraw/zinc/93/22/06/520932206.db2.gz YETWNSPERBGSEE-JOCHJYFZSA-N 1 0 409.530 4.194 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]Cc2c(C)n[nH]c2C)cc1 ZINC000020601169 523244398 /nfs/dbraw/zinc/24/43/98/523244398.db2.gz ZKKLYHJJCWGQNZ-UHFFFAOYSA-N 1 0 405.477 4.317 50 0 HIAARO COc1ccc(C[N@@H+]2CCCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000032869707 524028323 /nfs/dbraw/zinc/02/83/23/524028323.db2.gz GDMCNDOIZVKRBW-UHFFFAOYSA-N 1 0 416.447 4.370 50 0 HIAARO Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3cccc4ccccc43)CC2)c(C)o1 ZINC000043954275 524674521 /nfs/dbraw/zinc/67/45/21/524674521.db2.gz BYPITDRPCNTPMK-UHFFFAOYSA-N 1 0 412.555 4.240 50 0 HIAARO C[C@H]([NH3+])CCCOc1c(Br)cc(Br)cc1Br ZINC000045618073 524832178 /nfs/dbraw/zinc/83/21/78/524832178.db2.gz CVWXXNBLWVLBPR-ZETCQYMHSA-N 1 0 415.951 4.480 50 0 HIAARO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000032865537 525903158 /nfs/dbraw/zinc/90/31/58/525903158.db2.gz VMOKLPZUULCAMG-KPLVRAHFSA-N 1 0 416.949 4.129 50 0 HIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1(c2cccc(Br)c2)CC1 ZINC000032760340 526580012 /nfs/dbraw/zinc/58/00/12/526580012.db2.gz BENMFIVVESFODY-QGZVFWFLSA-N 1 0 419.388 4.496 50 0 HIAARO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000027402222 527129922 /nfs/dbraw/zinc/12/99/22/527129922.db2.gz JBHCCDSSELGPAS-HXUWFJFHSA-N 1 0 408.548 4.443 50 0 HIAARO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023224616 535095888 /nfs/dbraw/zinc/09/58/88/535095888.db2.gz XYHSURUPEXRGRV-MDFGKDKASA-N 1 0 406.998 4.054 50 0 HIAARO O=C(NCc1ccccc1F)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668733 557362405 /nfs/dbraw/zinc/36/24/05/557362405.db2.gz ABERHZXAHPFWLG-UHFFFAOYSA-N 1 0 421.491 4.217 50 0 HIAARO CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034680083 557381595 /nfs/dbraw/zinc/38/15/95/557381595.db2.gz OBZGBIHVFHZPRW-UHFFFAOYSA-N 1 0 421.585 4.083 50 0 HIAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(C)=O)c3ccc(C)c(F)c3)CC2)c1 ZINC000034682718 557384655 /nfs/dbraw/zinc/38/46/55/557384655.db2.gz JJSBNILSZUJUDG-UHFFFAOYSA-N 1 0 400.494 4.169 50 0 HIAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000034683605 557386893 /nfs/dbraw/zinc/38/68/93/557386893.db2.gz MTJCNMFSCFMMRB-UHFFFAOYSA-N 1 0 401.510 4.402 50 0 HIAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000004757398 557594555 /nfs/dbraw/zinc/59/45/55/557594555.db2.gz HFYNMTSTUQIVOE-UHFFFAOYSA-N 1 0 416.635 4.313 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)sc3c2c1 ZINC000004954252 557616998 /nfs/dbraw/zinc/61/69/98/557616998.db2.gz WOWCYTWKVNXUDA-HOTGVXAUSA-N 1 0 411.571 4.434 50 0 HIAARO CC1CC[NH+](Cc2ccc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)cc2)CC1 ZINC000006805385 557722571 /nfs/dbraw/zinc/72/25/71/557722571.db2.gz CHJDVVDXTWMHQZ-UHFFFAOYSA-N 1 0 416.525 4.313 50 0 HIAARO Cc1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022785910 557820381 /nfs/dbraw/zinc/82/03/81/557820381.db2.gz KMRGSEREAMYIHW-RUZDIDTESA-N 1 0 416.565 4.142 50 0 HIAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(F)cc2)CC1 ZINC000022794842 557822381 /nfs/dbraw/zinc/82/23/81/557822381.db2.gz JMNQUAPIFCNNMZ-RUZDIDTESA-N 1 0 417.528 4.211 50 0 HIAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccc(F)cc1Cl ZINC000010314137 557859512 /nfs/dbraw/zinc/85/95/12/557859512.db2.gz LOHTWCDOJMSTFG-UHFFFAOYSA-N 1 0 403.885 4.443 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc5ccccc5[nH]4)C3)C2)c1 ZINC000011812807 558277678 /nfs/dbraw/zinc/27/76/78/558277678.db2.gz UODNSYKWWVFQPT-VWLOTQADSA-N 1 0 421.516 4.444 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@@H](C)Cc1ncccc1C ZINC000019771159 558279754 /nfs/dbraw/zinc/27/97/54/558279754.db2.gz HZWYOSGQDNTGQJ-FQEVSTJZSA-N 1 0 419.573 4.083 50 0 HIAARO COC[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011817357 558280641 /nfs/dbraw/zinc/28/06/41/558280641.db2.gz KWEVTJRVAPRRQD-OAQYLSRUSA-N 1 0 405.498 4.269 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1n[nH]c2ccccc21 ZINC000011818916 558282118 /nfs/dbraw/zinc/28/21/18/558282118.db2.gz BIEOHVAIRCKHAW-IBGZPJMESA-N 1 0 408.521 4.119 50 0 HIAARO COc1ccc(-c2n[nH]cc2CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000019792650 558283429 /nfs/dbraw/zinc/28/34/29/558283429.db2.gz JVNIRXIZGJQQMJ-QHCPKHFHSA-N 1 0 404.558 4.224 50 0 HIAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1C[C@H]2C[C@@H]1CCC2 ZINC000011820846 558284282 /nfs/dbraw/zinc/28/42/82/558284282.db2.gz OMYMNLJNSKIJRT-KNQAVFIVSA-N 1 0 405.542 4.140 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cn1ncc2ccccc21 ZINC000011840502 558286726 /nfs/dbraw/zinc/28/67/26/558286726.db2.gz RRRUISDPFPENMR-HXUWFJFHSA-N 1 0 424.976 4.103 50 0 HIAARO Cc1nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](CCCc4ccccc4)C3)cc2nc1C ZINC000011840746 558286734 /nfs/dbraw/zinc/28/67/34/558286734.db2.gz ZVBAXDBJOVXJDM-QHCPKHFHSA-N 1 0 416.569 4.416 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCCC[C@H]2CO)cc1F ZINC000011873549 558291406 /nfs/dbraw/zinc/29/14/06/558291406.db2.gz SSKLFHMKTZYMSR-FQEVSTJZSA-N 1 0 409.505 4.342 50 0 HIAARO COc1cc(OC)cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c1 ZINC000011874370 558291966 /nfs/dbraw/zinc/29/19/66/558291966.db2.gz KVWBQTLNUIUYOL-RUZDIDTESA-N 1 0 408.542 4.141 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccccn2)CC1 ZINC000011938482 558301767 /nfs/dbraw/zinc/30/17/67/558301767.db2.gz GQHKFRGNOJWYAU-UHFFFAOYSA-N 1 0 406.448 4.488 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cccnc2)CC1 ZINC000011938345 558301858 /nfs/dbraw/zinc/30/18/58/558301858.db2.gz XGAAIGKOJBPCIC-UHFFFAOYSA-N 1 0 406.448 4.488 50 0 HIAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019908829 558306122 /nfs/dbraw/zinc/30/61/22/558306122.db2.gz WRLVDXBXRIAYFB-XMMPIXPASA-N 1 0 406.501 4.055 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CC2C3CC4CC(C3)CC2C4)cc1 ZINC000011997367 558307267 /nfs/dbraw/zinc/30/72/67/558307267.db2.gz UHUYEUICTIQFOX-CJBCXUHHSA-N 1 0 424.585 4.016 50 0 HIAARO O=C(C[C@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000012052464 558314652 /nfs/dbraw/zinc/31/46/52/558314652.db2.gz RKOVGWLQYYSRLO-XMMPIXPASA-N 1 0 408.542 4.097 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1CO ZINC000012072345 558317794 /nfs/dbraw/zinc/31/77/94/558317794.db2.gz TXOKYCADAWGOHO-SFHVURJKSA-N 1 0 414.521 4.348 50 0 HIAARO C/C(=C\c1ccccc1)C[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012157217 558340705 /nfs/dbraw/zinc/34/07/05/558340705.db2.gz AGXZBTJGEHOLGX-GZTJUZNOSA-N 1 0 412.917 4.207 50 0 HIAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000012193646 558348582 /nfs/dbraw/zinc/34/85/82/558348582.db2.gz HMELATZVBTVQCH-HSZRJFAPSA-N 1 0 404.514 4.046 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)cc1 ZINC000012299963 558369828 /nfs/dbraw/zinc/36/98/28/558369828.db2.gz ZVVOCDNYLDQLJP-IBGZPJMESA-N 1 0 405.498 4.189 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012304354 558373614 /nfs/dbraw/zinc/37/36/14/558373614.db2.gz ZYNSIDNUIQFKSB-UHFFFAOYSA-N 1 0 410.465 4.153 50 0 HIAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cn1 ZINC000012308295 558376655 /nfs/dbraw/zinc/37/66/55/558376655.db2.gz LMSVFGGLCPKEQL-FQEVSTJZSA-N 1 0 402.498 4.257 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012373044 558390673 /nfs/dbraw/zinc/39/06/73/558390673.db2.gz UFOGIVCZVRTFGH-NRFANRHFSA-N 1 0 418.541 4.429 50 0 HIAARO CCCn1ncc(C[NH+]2CCC(Cc3cccc(F)c3)(C(=O)OCC)CC2)c1C ZINC000012373376 558390839 /nfs/dbraw/zinc/39/08/39/558390839.db2.gz AAEUUDDQBCAIDK-UHFFFAOYSA-N 1 0 401.526 4.129 50 0 HIAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000012387694 558396375 /nfs/dbraw/zinc/39/63/75/558396375.db2.gz AIFWIFQCNREPBH-UHFFFAOYSA-N 1 0 400.482 4.469 50 0 HIAARO Cc1c[nH]c(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012429642 558404511 /nfs/dbraw/zinc/40/45/11/558404511.db2.gz UHTYQFCUKHTWPK-UHFFFAOYSA-N 1 0 403.574 4.336 50 0 HIAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012430974 558405689 /nfs/dbraw/zinc/40/56/89/558405689.db2.gz XVPLWLXRYJDXII-HXUWFJFHSA-N 1 0 420.532 4.335 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cc(F)cc(F)c3)C2)cc1 ZINC000012439047 558410518 /nfs/dbraw/zinc/41/05/18/558410518.db2.gz MXFLOVRFZRGJPO-GOSISDBHSA-N 1 0 402.485 4.000 50 0 HIAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-n2cccn2)c1 ZINC000012443633 558412923 /nfs/dbraw/zinc/41/29/23/558412923.db2.gz BDEVBPUITMMABV-FQEVSTJZSA-N 1 0 420.532 4.270 50 0 HIAARO c1nnc2c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc3ccccc3n12 ZINC000020828515 558417094 /nfs/dbraw/zinc/41/70/94/558417094.db2.gz MBZRJXDWSXXRPA-UHFFFAOYSA-N 1 0 420.520 4.189 50 0 HIAARO CCOc1cc(CNCCC[NH2+]C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874780 558418869 /nfs/dbraw/zinc/41/88/69/558418869.db2.gz XELUHQVLAYANQM-UHFFFAOYSA-N 1 0 421.379 4.434 50 0 HIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000012462572 558419333 /nfs/dbraw/zinc/41/93/33/558419333.db2.gz WPRFCXGUCIRKHE-UGKGYDQZSA-N 1 0 418.566 4.173 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012475120 558422582 /nfs/dbraw/zinc/42/25/82/558422582.db2.gz SZUPKKUWHQETQN-INIZCTEOSA-N 1 0 412.452 4.221 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cc(C)c(C)o3)CC2)c1 ZINC000012475059 558422659 /nfs/dbraw/zinc/42/26/59/558422659.db2.gz KSSKGJYBUNBVGG-UHFFFAOYSA-N 1 0 412.530 4.184 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000012570356 558428794 /nfs/dbraw/zinc/42/87/94/558428794.db2.gz RUUBNFSRHMOYGM-KRWDZBQOSA-N 1 0 402.560 4.074 50 0 HIAARO COC[C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)C1 ZINC000012571442 558429462 /nfs/dbraw/zinc/42/94/62/558429462.db2.gz BIHRMNWDMLXJSM-QGZVFWFLSA-N 1 0 422.997 4.338 50 0 HIAARO O=C(c1cccs1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012588413 558434863 /nfs/dbraw/zinc/43/48/63/558434863.db2.gz SSSTYOQEVBKLBL-QHCPKHFHSA-N 1 0 424.610 4.249 50 0 HIAARO CN(Cc1nc(Cc2cccc(F)c2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000012717690 558455747 /nfs/dbraw/zinc/45/57/47/558455747.db2.gz PLZZPCCUMMIKDK-UHFFFAOYSA-N 1 0 408.521 4.144 50 0 HIAARO C[NH+](C)CCCN(C(=O)CCOc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000004359600 558456654 /nfs/dbraw/zinc/45/66/54/558456654.db2.gz VMBUYWNZMIFOJC-UHFFFAOYSA-N 1 0 401.507 4.189 50 0 HIAARO CC(C)C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C(N)=O ZINC000012744044 558457613 /nfs/dbraw/zinc/45/76/13/558457613.db2.gz KMLSUAQGSJEUBV-FQEVSTJZSA-N 1 0 414.912 4.321 50 0 HIAARO Clc1ccc(COc2ccccc2C[NH2+]CCCN2CCOCC2)c(Cl)c1 ZINC000022074022 558462155 /nfs/dbraw/zinc/46/21/55/558462155.db2.gz XTRQFIMSTOXMHV-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1)c1cccc(OC)c1 ZINC000022700555 558505475 /nfs/dbraw/zinc/50/54/75/558505475.db2.gz YKDQFXVYFVOIMB-FQEVSTJZSA-N 1 0 419.363 4.200 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000004424507 558543955 /nfs/dbraw/zinc/54/39/55/558543955.db2.gz CBVZFLUXVZOPFP-MRXNPFEDSA-N 1 0 418.360 4.476 50 0 HIAARO Fc1ccc(-n2cc(C[NH2+]CCc3cnccn3)c(-c3ccccc3Cl)n2)cc1 ZINC000023337898 558549958 /nfs/dbraw/zinc/54/99/58/558549958.db2.gz KLMPVTOMLQFJGA-UHFFFAOYSA-N 1 0 407.880 4.454 50 0 HIAARO O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013680891 558566615 /nfs/dbraw/zinc/56/66/15/558566615.db2.gz LNRATDLHWDHEQE-UHFFFAOYSA-N 1 0 403.482 4.058 50 0 HIAARO O=C(Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1)c1ccco1 ZINC000023696230 558568341 /nfs/dbraw/zinc/56/83/41/558568341.db2.gz UQSLOZAHNBXKHE-UHFFFAOYSA-N 1 0 409.511 4.119 50 0 HIAARO CC(=O)CCc1ccc(OCCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000013693275 558574693 /nfs/dbraw/zinc/57/46/93/558574693.db2.gz HTZFFFQDTOKIKA-UHFFFAOYSA-N 1 0 423.582 4.409 50 0 HIAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717680 558580206 /nfs/dbraw/zinc/58/02/06/558580206.db2.gz HYOULBBDKQSHKC-UHFFFAOYSA-N 1 0 410.481 4.268 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013727977 558585294 /nfs/dbraw/zinc/58/52/94/558585294.db2.gz AYWSIFDIPQBTQR-UHFFFAOYSA-N 1 0 416.949 4.338 50 0 HIAARO OCC[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013732976 558587623 /nfs/dbraw/zinc/58/76/23/558587623.db2.gz PKXKQYQKYDVKQT-UHFFFAOYSA-N 1 0 417.764 4.287 50 0 HIAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004451485 558587966 /nfs/dbraw/zinc/58/79/66/558587966.db2.gz LRZVZUMYEPWATA-VBSWXYJSSA-N 1 0 410.558 4.303 50 0 HIAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014140244 558624860 /nfs/dbraw/zinc/62/48/60/558624860.db2.gz YXWUMPZDSKXGCS-OAQYLSRUSA-N 1 0 422.960 4.206 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccsc1 ZINC000025331727 558638597 /nfs/dbraw/zinc/63/85/97/558638597.db2.gz AHESGRDCQBKILJ-FQEVSTJZSA-N 1 0 406.511 4.227 50 0 HIAARO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)c12 ZINC000025331844 558638673 /nfs/dbraw/zinc/63/86/73/558638673.db2.gz CKVBJQNSQIQAJW-HXUWFJFHSA-N 1 0 419.554 4.038 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(C)c2)CC1 ZINC000027109134 558669683 /nfs/dbraw/zinc/66/96/83/558669683.db2.gz SYSRHRSZLMRBLD-UHFFFAOYSA-N 1 0 405.464 4.337 50 0 HIAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)CC1 ZINC000027662219 558678171 /nfs/dbraw/zinc/67/81/71/558678171.db2.gz XERSUPFOEZGKGD-JOCHJYFZSA-N 1 0 413.993 4.356 50 0 HIAARO CCc1ccc(O[C@@H](C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000027747479 558681492 /nfs/dbraw/zinc/68/14/92/558681492.db2.gz NMFJSRKONTYLHB-CYFREDJKSA-N 1 0 410.558 4.368 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027747950 558681662 /nfs/dbraw/zinc/68/16/62/558681662.db2.gz RNVSLSYSNRHDAV-VGOFRKELSA-N 1 0 416.949 4.378 50 0 HIAARO COc1cc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc(Cl)c1O ZINC000014966719 558686121 /nfs/dbraw/zinc/68/61/21/558686121.db2.gz OCZWIAKCACZUMW-AWEZNQCLSA-N 1 0 403.935 4.423 50 0 HIAARO COCCN(Cc1cc(F)ccc1F)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014973295 558688312 /nfs/dbraw/zinc/68/83/12/558688312.db2.gz XURXTJKSMHSSFV-LJQANCHMSA-N 1 0 414.540 4.293 50 0 HIAARO O=C(Cc1cscn1)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014980253 558691091 /nfs/dbraw/zinc/69/10/91/558691091.db2.gz GOYRGAWGVWLUNA-XLIONFOSSA-N 1 0 411.596 4.413 50 0 HIAARO Cc1ccccc1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014980852 558691441 /nfs/dbraw/zinc/69/14/41/558691441.db2.gz LKZHQRYJMYEMLU-GOSISDBHSA-N 1 0 400.906 4.048 50 0 HIAARO COCCN(Cc1cc2ccccc2[nH]1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014981352 558691978 /nfs/dbraw/zinc/69/19/78/558691978.db2.gz DCOVMMIZWHFJPM-OAQYLSRUSA-N 1 0 417.597 4.496 50 0 HIAARO COc1ccc(CN2CC[N@@H+]([C@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000014994216 558695441 /nfs/dbraw/zinc/69/54/41/558695441.db2.gz NSEVHBIETVSHAG-QGZVFWFLSA-N 1 0 420.475 4.380 50 0 HIAARO Cc1cc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)ccc1Oc1cccnc1 ZINC000072273492 558699172 /nfs/dbraw/zinc/69/91/72/558699172.db2.gz NJGSOLXAQUWEFW-UHFFFAOYSA-N 1 0 416.525 4.182 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)NCc1ccccc1Cl ZINC000015062340 558705463 /nfs/dbraw/zinc/70/54/63/558705463.db2.gz IRKSODPGTNHTPR-QGZVFWFLSA-N 1 0 414.933 4.377 50 0 HIAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000015063123 558705665 /nfs/dbraw/zinc/70/56/65/558705665.db2.gz ZWAFBLJROMDYGK-UHFFFAOYSA-N 1 0 422.504 4.267 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]Cc2cn(C)nc2C)cc1 ZINC000015065296 558708420 /nfs/dbraw/zinc/70/84/20/558708420.db2.gz KVXCETUOFABOSI-UHFFFAOYSA-N 1 0 405.477 4.019 50 0 HIAARO Clc1ccc(-c2noc3c2C[N@@H+](C2CCN(Cc4ccccn4)CC2)CC3)cc1 ZINC000015066559 558709481 /nfs/dbraw/zinc/70/94/81/558709481.db2.gz GYGSPBCKFAMLLT-UHFFFAOYSA-N 1 0 408.933 4.413 50 0 HIAARO Cc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)s1 ZINC000015071350 558713027 /nfs/dbraw/zinc/71/30/27/558713027.db2.gz VEGYJDCHIRSWKU-UHFFFAOYSA-N 1 0 400.544 4.459 50 0 HIAARO COC(=O)c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000015071796 558713296 /nfs/dbraw/zinc/71/32/96/558713296.db2.gz ZZLZHMWVQJFKAB-RPWUZVMVSA-N 1 0 420.553 4.234 50 0 HIAARO CO[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000015072550 558713737 /nfs/dbraw/zinc/71/37/37/558713737.db2.gz CLLRQILJXGZRGT-FQEVSTJZSA-N 1 0 420.981 4.377 50 0 HIAARO COC1=NN(c2ccc(C)cc2)/C(=C\C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000033369256 558768102 /nfs/dbraw/zinc/76/81/02/558768102.db2.gz WHZCISRGWKNPET-FYJGNVAPSA-N 1 0 409.511 4.370 50 0 HIAARO CCOc1ccc(Cl)c(C(=O)OC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)n1 ZINC000072310648 558777490 /nfs/dbraw/zinc/77/74/90/558777490.db2.gz PQYVLJAMOZKEMH-IIBYNOLFSA-N 1 0 418.921 4.382 50 0 HIAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCC[NH+](C)C)C3=O ZINC000016749924 558804480 /nfs/dbraw/zinc/80/44/80/558804480.db2.gz PUWSUPXZCGWGKO-HXUWFJFHSA-N 1 0 410.901 4.252 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984074 558805059 /nfs/dbraw/zinc/80/50/59/558805059.db2.gz PPVHHDMIHIEKHN-MPGAHLTBSA-N 1 0 419.525 4.053 50 0 HIAARO c1nn2cc(-c3ccc(N4CC[NH2+]CC4)cc3)cnc2c1-c1ccnc2ccccc21 ZINC000040880920 558825490 /nfs/dbraw/zinc/82/54/90/558825490.db2.gz CDOVNWNANFFLFJ-UHFFFAOYSA-N 1 0 406.493 4.021 50 0 in-vitro HIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000019110869 558841792 /nfs/dbraw/zinc/84/17/92/558841792.db2.gz RJPSIUGNNJJLHJ-IBGZPJMESA-N 1 0 410.587 4.475 50 0 HIAARO CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000072314317 558844101 /nfs/dbraw/zinc/84/41/01/558844101.db2.gz JGPYKUJASYKGRL-IBGZPJMESA-N 1 0 422.573 4.343 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025207 558844949 /nfs/dbraw/zinc/84/49/49/558844949.db2.gz JLRSOZIJZJWOCA-UHFFFAOYSA-N 1 0 407.493 4.098 50 0 HIAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000055071684 558871484 /nfs/dbraw/zinc/87/14/84/558871484.db2.gz IHBOGJVYBUKTPA-IBGZPJMESA-N 1 0 415.940 4.214 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCn2c(C)cc3ccccc32)c(OC)c1 ZINC000055242442 558877092 /nfs/dbraw/zinc/87/70/92/558877092.db2.gz OUGAGNSVLBXGHE-UHFFFAOYSA-N 1 0 404.514 4.489 50 0 HIAARO CCCC[N@H+](C)CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000004668051 558878045 /nfs/dbraw/zinc/87/80/45/558878045.db2.gz CGQHOMHKEGZVEB-UHFFFAOYSA-N 1 0 406.530 4.449 50 0 HIAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 ZINC000055369719 558880431 /nfs/dbraw/zinc/88/04/31/558880431.db2.gz FODAARBVQBVGOS-LJQANCHMSA-N 1 0 415.940 4.214 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000058138332 558901301 /nfs/dbraw/zinc/90/13/01/558901301.db2.gz VFZMPLFOOBKIBZ-UHFFFAOYSA-N 1 0 422.960 4.420 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)CC1 ZINC000058148869 558902213 /nfs/dbraw/zinc/90/22/13/558902213.db2.gz MPTPDMXVGXBLAH-UHFFFAOYSA-N 1 0 402.542 4.324 50 0 HIAARO Cc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000058214681 558912428 /nfs/dbraw/zinc/91/24/28/558912428.db2.gz KZLMAEBRVMLSAG-UHFFFAOYSA-N 1 0 421.570 4.215 50 0 HIAARO COCC[N@@H+]1CC[C@H](CNc2nc(-c3cccs3)nc3sc(C)c(C)c32)C1 ZINC000058246482 558914915 /nfs/dbraw/zinc/91/49/15/558914915.db2.gz VQMUTRPJXUVBBH-OAHLLOKOSA-N 1 0 402.589 4.417 50 0 HIAARO COc1ccc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000058434987 558927132 /nfs/dbraw/zinc/92/71/32/558927132.db2.gz PLDMDBHJGXCTHW-BTYIYWSLSA-N 1 0 424.438 4.466 50 0 HIAARO Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065362749 558973690 /nfs/dbraw/zinc/97/36/90/558973690.db2.gz YLRJJJBZWXUOIT-UHFFFAOYSA-N 1 0 413.953 4.145 50 0 HIAARO CC[NH+]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072432801 558979707 /nfs/dbraw/zinc/97/97/07/558979707.db2.gz CMFMZSLECZYHMJ-UHFFFAOYSA-N 1 0 409.917 4.421 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@](C)(O)C2)cc1F ZINC000072463179 558983190 /nfs/dbraw/zinc/98/31/90/558983190.db2.gz FEBKZKWBCTXAJK-DEOSSOPVSA-N 1 0 409.505 4.342 50 0 HIAARO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031449 558985418 /nfs/dbraw/zinc/98/54/18/558985418.db2.gz GEGIDCCXASQQMS-OXQOHEQNSA-N 1 0 402.995 4.004 50 0 HIAARO C[C@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031453 558985482 /nfs/dbraw/zinc/98/54/82/558985482.db2.gz WJFJCKIMYLSMDE-JXFKEZNVSA-N 1 0 402.995 4.004 50 0 HIAARO Cc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000067604415 558988621 /nfs/dbraw/zinc/98/86/21/558988621.db2.gz MNFRBJDWVRZTSC-UHFFFAOYSA-N 1 0 422.504 4.055 50 0 HIAARO Cc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)s1 ZINC000067713397 558991924 /nfs/dbraw/zinc/99/19/24/558991924.db2.gz IMXUSWIIFCNUGG-UHFFFAOYSA-N 1 0 421.566 4.425 50 0 HIAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000072306392 559147266 /nfs/dbraw/zinc/14/72/66/559147266.db2.gz CEKFMCLDKBYIFZ-VWLOTQADSA-N 1 0 415.537 4.136 50 0 HIAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4cccnc4)CC3)c(C)o2)cc1 ZINC000004924581 559207641 /nfs/dbraw/zinc/20/76/41/559207641.db2.gz ORFIWIDADMNTCK-UHFFFAOYSA-N 1 0 418.541 4.136 50 0 HIAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000004981252 559223556 /nfs/dbraw/zinc/22/35/56/559223556.db2.gz LGZKFFLBKZUASY-UHFFFAOYSA-N 1 0 403.492 4.492 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)ccc2s1 ZINC000005122098 559248670 /nfs/dbraw/zinc/24/86/70/559248670.db2.gz RSPOEUFHGRWQEA-UHFFFAOYSA-N 1 0 413.543 4.302 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCCCC2)cc1 ZINC000011915584 559267886 /nfs/dbraw/zinc/26/78/86/559267886.db2.gz NRLJHSBCNKXYMW-JOCHJYFZSA-N 1 0 420.509 4.149 50 0 HIAARO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccnc1 ZINC000252552555 559278197 /nfs/dbraw/zinc/27/81/97/559278197.db2.gz UWGHQFZQZXVTHR-PCCBWWKXSA-N 1 0 419.491 4.248 50 0 HIAARO COc1ccc(/C=C/c2nc(-c3ccccc3O)n(CC[NH+]3CCCCC3)n2)cc1 ZINC000005274347 560561302 /nfs/dbraw/zinc/56/13/02/560561302.db2.gz UHLYLXJOUFMLLJ-SDNWHVSQSA-N 1 0 404.514 4.316 50 0 HIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3C=C12 ZINC000061992837 560568594 /nfs/dbraw/zinc/56/85/94/560568594.db2.gz DJDMTKVUPCOQPO-AAYSFUBESA-N 1 0 410.533 4.182 50 0 HIAARO CC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982690 560858711 /nfs/dbraw/zinc/85/87/11/560858711.db2.gz KHJGYKRMQBHRFS-TZIWHRDSSA-N 1 0 402.922 4.115 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3OC)C2)cc1 ZINC000105007834 560859739 /nfs/dbraw/zinc/85/97/39/560859739.db2.gz ZRUPGJMOTXMHIY-FDDCHVKYSA-N 1 0 421.541 4.256 50 0 HIAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050406 560860825 /nfs/dbraw/zinc/86/08/25/560860825.db2.gz XMJZRTUJAVPONG-NZQKXSOJSA-N 1 0 416.537 4.074 50 0 HIAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NC4CC4)CC3)cc3ccccc32)c1 ZINC000046055881 568425708 /nfs/dbraw/zinc/42/57/08/568425708.db2.gz HKRNLQXLOFOXPE-UHFFFAOYSA-N 1 0 401.554 4.489 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000048098608 568431896 /nfs/dbraw/zinc/43/18/96/568431896.db2.gz HZAPBHZYBADXJS-LJQANCHMSA-N 1 0 414.575 4.189 50 0 HIAARO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000048303537 568436101 /nfs/dbraw/zinc/43/61/01/568436101.db2.gz GQNZMVAMQMGYAH-UHFFFAOYSA-N 1 0 424.511 4.285 50 0 HIAARO CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000048332137 568440033 /nfs/dbraw/zinc/44/00/33/568440033.db2.gz PMOCZWRJVBKDFX-SDNWHVSQSA-N 1 0 421.541 4.311 50 0 HIAARO CCOc1c(Br)cc(Br)cc1CNC[C@H]1CCC[N@@H+]1CC ZINC000022935896 568500732 /nfs/dbraw/zinc/50/07/32/568500732.db2.gz RIVHPPXPQQGEDK-CQSZACIVSA-N 1 0 420.189 4.184 50 0 HIAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)c2cccnc2)CC1 ZINC000020192364 568593602 /nfs/dbraw/zinc/59/36/02/568593602.db2.gz GQQYPACXCGWKJG-NRFANRHFSA-N 1 0 424.570 4.332 50 0 HIAARO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cn1c2ccccc2nc1C1CC1 ZINC000095457779 568618735 /nfs/dbraw/zinc/61/87/35/568618735.db2.gz CFZWANXLCFDTMZ-UHFFFAOYSA-N 1 0 417.557 4.074 50 0 HIAARO C[NH+]1CCN(CCc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457784 568618776 /nfs/dbraw/zinc/61/87/76/568618776.db2.gz XWTDBUHFUKATNV-FTJBHMTQSA-N 1 0 413.565 4.372 50 0 HIAARO C[C@@H]([NH2+]C(C)(C)Cc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000095462739 568621763 /nfs/dbraw/zinc/62/17/63/568621763.db2.gz UGMCLIMCEVMYEY-GOSISDBHSA-N 1 0 412.555 4.430 50 0 HIAARO CC[NH+]1CCN(c2nc3c(-c4cccc(C)c4)nnn3c3ccc(Cl)cc32)CC1 ZINC000020859709 568645884 /nfs/dbraw/zinc/64/58/84/568645884.db2.gz GBHIEQHQJFXVJL-UHFFFAOYSA-N 1 0 406.921 4.048 50 0 HIAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc(OC)c1 ZINC000020889549 568647492 /nfs/dbraw/zinc/64/74/92/568647492.db2.gz MOFFMQFYMGJOPJ-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO COc1ccc(C)cc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020927366 568651493 /nfs/dbraw/zinc/65/14/93/568651493.db2.gz YTKFYXLAVQEOAO-UHFFFAOYSA-N 1 0 410.543 4.165 50 0 HIAARO Cc1cccc(-c2nc(CC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cs2)c1 ZINC000095943233 568662501 /nfs/dbraw/zinc/66/25/01/568662501.db2.gz QPBUBGNWRFKWKO-AVRDEDQJSA-N 1 0 405.567 4.298 50 0 HIAARO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945473 568663484 /nfs/dbraw/zinc/66/34/84/568663484.db2.gz OVCPNPRBEQLVDK-WIYYLYMNSA-N 1 0 402.583 4.028 50 0 HIAARO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000021098226 568665939 /nfs/dbraw/zinc/66/59/39/568665939.db2.gz RLSVKWBWUSRTCQ-QHCPKHFHSA-N 1 0 410.489 4.464 50 0 aggregator HIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000021175043 568677105 /nfs/dbraw/zinc/67/71/05/568677105.db2.gz RIXJLTMHALJMSJ-UHFFFAOYSA-N 1 0 401.894 4.102 50 0 HIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000096003169 568681884 /nfs/dbraw/zinc/68/18/84/568681884.db2.gz USTKVMYEDJNJNR-VXKWHMMOSA-N 1 0 423.557 4.231 50 0 HIAARO CCC(CC)(C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000096006288 568682612 /nfs/dbraw/zinc/68/26/12/568682612.db2.gz KDUUFKAKKOBAOQ-QFIPXVFZSA-N 1 0 414.977 4.281 50 0 HIAARO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](c3cccnc3)C3CC3)[C@@H](c3ccco3)C2)cc1 ZINC000096012835 568685212 /nfs/dbraw/zinc/68/52/12/568685212.db2.gz PJUBRVCJUUJDIC-RDGATRHJSA-N 1 0 414.509 4.402 50 0 HIAARO C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156213 568699397 /nfs/dbraw/zinc/69/93/97/568699397.db2.gz TXXYCCYHVIPQLF-ZNMIVQPWSA-N 1 0 420.351 4.200 50 0 HIAARO CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000096130075 568701910 /nfs/dbraw/zinc/70/19/10/568701910.db2.gz PMOCZWRJVBKDFX-KAMYIIQDSA-N 1 0 421.541 4.311 50 0 HIAARO Fc1cccc(Cl)c1Cn1cc(C[NH2+]CCCN2CCOCC2)c2ccccc21 ZINC000247490433 568745518 /nfs/dbraw/zinc/74/55/18/568745518.db2.gz BETJWYAFEQFPSD-UHFFFAOYSA-N 1 0 415.940 4.294 50 0 HIAARO COc1ccccc1CC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248256127 568748238 /nfs/dbraw/zinc/74/82/38/568748238.db2.gz SLFOKJYOWLNXEV-UHFFFAOYSA-N 1 0 416.500 4.473 50 0 HIAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000230018134 568801761 /nfs/dbraw/zinc/80/17/61/568801761.db2.gz BZSOVIRLFSQJNR-DENIHFKCSA-N 1 0 403.526 4.094 50 0 HIAARO Fc1ccc(Cn2nc(C[NH2+]CCCn3ccnc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492639 568820547 /nfs/dbraw/zinc/82/05/47/568820547.db2.gz WNTDJYFFCZCJCC-UHFFFAOYSA-N 1 0 424.911 4.162 50 0 HIAARO COc1ccccc1N1CC[NH+](CCOc2ccccc2/C=C/c2cc(C)no2)CC1 ZINC000057301792 568826446 /nfs/dbraw/zinc/82/64/46/568826446.db2.gz UTMICZOBXXYTAL-VAWYXSNFSA-N 1 0 419.525 4.363 50 0 HIAARO COc1ccc(C[NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936012 568830482 /nfs/dbraw/zinc/83/04/82/568830482.db2.gz PNUUMSFMETUGDF-BKMJKUGQSA-N 1 0 421.537 4.269 50 0 HIAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000057407755 568832953 /nfs/dbraw/zinc/83/29/53/568832953.db2.gz GRHWDTHJPQSVCU-OAQYLSRUSA-N 1 0 403.910 4.232 50 0 HIAARO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000003336506 568855279 /nfs/dbraw/zinc/85/52/79/568855279.db2.gz PSNJGFLDOSHKPU-DHIUTWEWSA-N 1 0 423.601 4.158 50 0 HIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000012589483 568867831 /nfs/dbraw/zinc/86/78/31/568867831.db2.gz NBPBGGZJYKVTKI-INIZCTEOSA-N 1 0 419.641 4.309 50 0 HIAARO Cc1nn(C)c(C)c1C[NH2+]Cc1cc2cc(C)ccc2n(Cc2ccccc2C)c1=O ZINC000299785853 568875481 /nfs/dbraw/zinc/87/54/81/568875481.db2.gz OMBVZJKQAZKVOL-UHFFFAOYSA-N 1 0 414.553 4.307 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)c1csc(-c2ccc(C)o2)n1)[NH+]1CCCC1 ZINC000031209126 568919436 /nfs/dbraw/zinc/91/94/36/568919436.db2.gz CXTGHWCWTUJGSK-SFHVURJKSA-N 1 0 411.527 4.287 50 0 HIAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012737405 568925225 /nfs/dbraw/zinc/92/52/25/568925225.db2.gz DEWGEAJQZHERMI-GOSISDBHSA-N 1 0 409.917 4.318 50 0 HIAARO CC[NH+]1CCN(CCNc2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000031784579 568931278 /nfs/dbraw/zinc/93/12/78/568931278.db2.gz NFESLRDYLGOTAH-UHFFFAOYSA-N 1 0 401.605 4.086 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000004056424 568936620 /nfs/dbraw/zinc/93/66/20/568936620.db2.gz FNLYBXQHHUEPFK-UHFFFAOYSA-N 1 0 413.587 4.341 50 0 HIAARO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Br)cc1F ZINC000012759249 568943872 /nfs/dbraw/zinc/94/38/72/568943872.db2.gz XAWAEVWELWWDEJ-UHFFFAOYSA-N 1 0 419.294 4.412 50 0 HIAARO CCOC(=O)c1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)cc1 ZINC000004193131 568950641 /nfs/dbraw/zinc/95/06/41/568950641.db2.gz PETMAWMOPOXVFH-UHFFFAOYSA-N 1 0 415.559 4.141 50 0 HIAARO CC(C)[NH+]1CCC(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000012773799 568953026 /nfs/dbraw/zinc/95/30/26/568953026.db2.gz HPSNFEATZKEPEF-UHFFFAOYSA-N 1 0 412.921 4.388 50 0 HIAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)CC2)c1 ZINC000059415312 568953421 /nfs/dbraw/zinc/95/34/21/568953421.db2.gz OXHMUXCCSHTPES-ZSNBAVAXSA-N 1 0 408.586 4.431 50 0 HIAARO CCCC[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H](CC)c1ccccc1 ZINC000084744381 568957896 /nfs/dbraw/zinc/95/78/96/568957896.db2.gz JZXVSBCOXJJPAR-XMMPIXPASA-N 1 0 421.585 4.448 50 0 HIAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000007990077 568966575 /nfs/dbraw/zinc/96/65/75/568966575.db2.gz CJYUXEWZCCOMEF-KRWDZBQOSA-N 1 0 415.331 4.406 50 0 HIAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000007990076 568966627 /nfs/dbraw/zinc/96/66/27/568966627.db2.gz CJYUXEWZCCOMEF-QGZVFWFLSA-N 1 0 415.331 4.406 50 0 HIAARO C[N@@H+]1CCc2c(CNC(=O)NC34CC5CC(CC(C5)C3)C4)c(-n3cccc3)sc2C1 ZINC000015679541 568967214 /nfs/dbraw/zinc/96/72/14/568967214.db2.gz JLRVGGWRLRHDAY-UHFFFAOYSA-N 1 0 424.614 4.295 50 0 HIAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)nc1COc1ccccc1 ZINC000015682085 568968508 /nfs/dbraw/zinc/96/85/08/568968508.db2.gz CUPOJHYMJANVGS-UHFFFAOYSA-N 1 0 419.525 4.445 50 0 HIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000008157248 568978570 /nfs/dbraw/zinc/97/85/70/568978570.db2.gz XNKCLAVTQWKNNR-QHCPKHFHSA-N 1 0 421.541 4.143 50 0 HIAARO CCOc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000015772727 568998613 /nfs/dbraw/zinc/99/86/13/568998613.db2.gz XGJAFYPPHIIDAH-UHFFFAOYSA-N 1 0 408.477 4.129 50 0 HIAARO Cc1ncc(C[NH2+]CC(C)C)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085878534 569009682 /nfs/dbraw/zinc/00/96/82/569009682.db2.gz DDYFSNQRVHPVLZ-UHFFFAOYSA-N 1 0 406.438 4.384 50 0 HIAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCCCC4)ccc3c2=O)c1 ZINC000001522230 569016472 /nfs/dbraw/zinc/01/64/72/569016472.db2.gz FLNHCFBECDJGOT-LJQANCHMSA-N 1 0 423.509 4.428 50 0 HIAARO C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000012953623 569029701 /nfs/dbraw/zinc/02/97/01/569029701.db2.gz BNYJXLQSLRNACW-CYBMUJFWSA-N 1 0 404.301 4.206 50 0 HIAARO CCOc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016261805 569030322 /nfs/dbraw/zinc/03/03/22/569030322.db2.gz QATPUBSXGUQZEG-HXUWFJFHSA-N 1 0 413.905 4.390 50 0 HIAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000035372754 569033754 /nfs/dbraw/zinc/03/37/54/569033754.db2.gz HRSSMPJMJKZJBZ-UHFFFAOYSA-N 1 0 424.545 4.129 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1Cl ZINC000575621514 569039030 /nfs/dbraw/zinc/03/90/30/569039030.db2.gz OZZTYDMUNMIARK-SFHVURJKSA-N 1 0 415.946 4.221 50 0 HIAARO COc1ccc(CNC(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1OC ZINC000575621501 569039070 /nfs/dbraw/zinc/03/90/70/569039070.db2.gz OWYFQDVLVKSOPL-GOSISDBHSA-N 1 0 413.543 4.021 50 0 HIAARO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000229901304 569040705 /nfs/dbraw/zinc/04/07/05/569040705.db2.gz SUTCPEASIKLNNV-NTKDMRAZSA-N 1 0 407.558 4.203 50 0 HIAARO CC(C)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccccc1 ZINC000013007255 569049768 /nfs/dbraw/zinc/04/97/68/569049768.db2.gz QWSWBUOXYNEDEX-LJQANCHMSA-N 1 0 419.447 4.203 50 0 HIAARO CC(C)[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000013007256 569049776 /nfs/dbraw/zinc/04/97/76/569049776.db2.gz QWSWBUOXYNEDEX-IBGZPJMESA-N 1 0 419.447 4.203 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1N1CCCC1=O)c1ccccc1Cl ZINC000013011226 569050174 /nfs/dbraw/zinc/05/01/74/569050174.db2.gz UYVRIESLIGURIK-OAQYLSRUSA-N 1 0 413.949 4.280 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccn3)CC2)c2cc(Cl)ccc21 ZINC000064669704 569078843 /nfs/dbraw/zinc/07/88/43/569078843.db2.gz GGXPKQAGMCTEIR-UHFFFAOYSA-N 1 0 410.949 4.238 50 0 HIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103484 569092148 /nfs/dbraw/zinc/09/21/48/569092148.db2.gz JHAXHMIDUVXTQT-LJQANCHMSA-N 1 0 411.523 4.227 50 0 HIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1C ZINC000036104631 569092703 /nfs/dbraw/zinc/09/27/03/569092703.db2.gz KRDWRZIDRRQMTK-HSZRJFAPSA-N 1 0 419.521 4.474 50 0 HIAARO CC(=O)c1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000006707853 569095404 /nfs/dbraw/zinc/09/54/04/569095404.db2.gz KEECMEYAPMBZSF-IRMYBRCSSA-N 1 0 409.599 4.481 50 0 biogenic HIAARO Cn1cc(NC(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000006724920 569100694 /nfs/dbraw/zinc/10/06/94/569100694.db2.gz VSPYLCMGNLWVOG-UHFFFAOYSA-N 1 0 422.529 4.088 50 0 HIAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1N(C)C)C[C@H](O)Cc1ccccc1 ZINC000036301626 569128003 /nfs/dbraw/zinc/12/80/03/569128003.db2.gz KTUIZOGJDDJTSH-HSZRJFAPSA-N 1 0 420.601 4.215 50 0 HIAARO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036304780 569128945 /nfs/dbraw/zinc/12/89/45/569128945.db2.gz GEVSUYAJPPFBMJ-QFIPXVFZSA-N 1 0 423.557 4.499 50 0 HIAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC ZINC000036308565 569129821 /nfs/dbraw/zinc/12/98/21/569129821.db2.gz FNSHNFRMEIONCF-NRFANRHFSA-N 1 0 409.530 4.192 50 0 HIAARO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036341169 569141791 /nfs/dbraw/zinc/14/17/91/569141791.db2.gz JTEZMBKBCODSQE-HSZRJFAPSA-N 1 0 409.505 4.244 50 0 HIAARO Clc1ncccc1-c1nc(-c2ccc3c(c2)ncn3CC[NH+]2CCCCC2)no1 ZINC000065255066 569207605 /nfs/dbraw/zinc/20/76/05/569207605.db2.gz QJKWKQJAMWQQIQ-UHFFFAOYSA-N 1 0 408.893 4.288 50 0 HIAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255125 569207676 /nfs/dbraw/zinc/20/76/76/569207676.db2.gz ZZPLDSBHXKNCLR-UHFFFAOYSA-N 1 0 416.447 4.081 50 0 HIAARO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1 ZINC000065256968 569208577 /nfs/dbraw/zinc/20/85/77/569208577.db2.gz QEAHTMFNAVKAKO-QFIPXVFZSA-N 1 0 404.489 4.150 50 0 HIAARO O=C(c1cccs1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265652 569212979 /nfs/dbraw/zinc/21/29/79/569212979.db2.gz KOXRSFDPFVAWDM-UHFFFAOYSA-N 1 0 417.538 4.063 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1NC(=O)c1ccccc1 ZINC000007246797 569230343 /nfs/dbraw/zinc/23/03/43/569230343.db2.gz BECOOLAXXKMJEO-UHFFFAOYSA-N 1 0 413.521 4.465 50 0 HIAARO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065539834 569234619 /nfs/dbraw/zinc/23/46/19/569234619.db2.gz HLWZKWLFNHBOEA-JTSKRJEESA-N 1 0 403.526 4.376 50 0 HIAARO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000170591391 569240569 /nfs/dbraw/zinc/24/05/69/569240569.db2.gz QEVSHIVXWQYQLO-WMZOPIPTSA-N 1 0 411.587 4.011 50 0 HIAARO CC(C)Cc1nc2oc3c(ncnc3NCCC[NH+](C)C)c2c2c1COC(C)(C)C2 ZINC000002201117 569295563 /nfs/dbraw/zinc/29/55/63/569295563.db2.gz GOTWMTGRKAQJRG-UHFFFAOYSA-N 1 0 411.550 4.184 50 0 HIAARO COCC(=O)Nc1ccc2[nH+]c3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3 ZINC000013366944 569412396 /nfs/dbraw/zinc/41/23/96/569412396.db2.gz HBWLKJVUROUVAU-UHFFFAOYSA-N 1 0 421.497 4.459 50 0 HIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369595 569412618 /nfs/dbraw/zinc/41/26/18/569412618.db2.gz AXKFFULCBFYYIX-WOJBJXKFSA-N 1 0 404.558 4.473 50 0 HIAARO COc1ccc(C[NH2+]CCSc2ccc(Br)cc2)c(OC)c1OC ZINC000008756517 571113654 /nfs/dbraw/zinc/11/36/54/571113654.db2.gz UOFPGFZSTINAFU-UHFFFAOYSA-N 1 0 412.349 4.357 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccsc1 ZINC000040103940 571164746 /nfs/dbraw/zinc/16/47/46/571164746.db2.gz BJDXKSZCRCPMIT-LJQANCHMSA-N 1 0 400.548 4.080 50 0 HIAARO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000040103953 571164756 /nfs/dbraw/zinc/16/47/56/571164756.db2.gz NRLUIGYQFISESZ-UHFFFAOYSA-N 1 0 407.345 4.457 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCc1cn2ccccc2n1)C1CCCCC1 ZINC000040105269 571165919 /nfs/dbraw/zinc/16/59/19/571165919.db2.gz WRXLBTQCMYNTRR-JOCHJYFZSA-N 1 0 420.557 4.154 50 0 HIAARO COc1ccc([C@@H](CNC(=O)Nc2cccnc2Oc2ccccc2)[NH+](C)C)cc1 ZINC000040121152 571177203 /nfs/dbraw/zinc/17/72/03/571177203.db2.gz ZANIBLZPHQMSEU-OAQYLSRUSA-N 1 0 406.486 4.307 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)CCCOc2cccc3ccccc32)CC1 ZINC000040130793 571182822 /nfs/dbraw/zinc/18/28/22/571182822.db2.gz YVEGVZXCGHFTTN-UHFFFAOYSA-N 1 0 403.526 4.389 50 0 HIAARO COC1CC[NH+](Cc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000040152341 571200081 /nfs/dbraw/zinc/20/00/81/571200081.db2.gz CHZUHFGCGNHPCF-UHFFFAOYSA-N 1 0 420.475 4.289 50 0 HIAARO CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1 ZINC000040158376 571204941 /nfs/dbraw/zinc/20/49/41/571204941.db2.gz WXLALARYLPMKOH-UHFFFAOYSA-N 1 0 408.608 4.139 50 0 HIAARO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H]1CCCc2ccccc21 ZINC000245237312 571219365 /nfs/dbraw/zinc/21/93/65/571219365.db2.gz JDJSVWMSCLZVJH-VXKWHMMOSA-N 1 0 406.526 4.131 50 0 HIAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000245279941 571222633 /nfs/dbraw/zinc/22/26/33/571222633.db2.gz KMJNBVKULZSWQF-FYYLOGMGSA-N 1 0 403.950 4.378 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OCc2cscn2)cc1 ZINC000009594578 571272179 /nfs/dbraw/zinc/27/21/79/571272179.db2.gz NAORUIWNQZNJJT-UHFFFAOYSA-N 1 0 407.539 4.248 50 0 HIAARO CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](C)CC2)cc1 ZINC000010214361 571296817 /nfs/dbraw/zinc/29/68/17/571296817.db2.gz JHZJDXFRJZEJMT-OAQYLSRUSA-N 1 0 407.514 4.059 50 0 HIAARO CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](CC)CC2)cc1 ZINC000010214363 571296889 /nfs/dbraw/zinc/29/68/89/571296889.db2.gz QCWNNXQYBXFIDD-QFIPXVFZSA-N 1 0 421.541 4.449 50 0 HIAARO C[C@@H]1Sc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2NC1=O ZINC000010280657 571299313 /nfs/dbraw/zinc/29/93/13/571299313.db2.gz RUMBSNVDNXECMN-INIZCTEOSA-N 1 0 409.555 4.035 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1F ZINC000010334069 571300631 /nfs/dbraw/zinc/30/06/31/571300631.db2.gz ABUNUUUGCREXER-QHCPKHFHSA-N 1 0 419.500 4.179 50 0 HIAARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010335655 571300843 /nfs/dbraw/zinc/30/08/43/571300843.db2.gz BAVFCIALWPICII-QFIPXVFZSA-N 1 0 424.566 4.272 50 0 HIAARO O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430468 845524382 /nfs/dbraw/zinc/52/43/82/845524382.db2.gz CFQGHILJCLBFOV-BQYQJAHWSA-N 1 0 412.917 4.037 50 0 HIAARO c1cn(CCC[NH2+]Cc2cc3cc4c(cc3nc2OCc2cccnc2)CCC4)cn1 ZINC000011785151 845833356 /nfs/dbraw/zinc/83/33/56/845833356.db2.gz PMPDDKLXWPVWJT-UHFFFAOYSA-N 1 0 413.525 4.074 50 0 HIAARO Cc1ccc(C(=O)N(Cc2cccc(OCC[NH+](C)C)c2)Cc2ccccn2)s1 ZINC000011913281 845840918 /nfs/dbraw/zinc/84/09/18/845840918.db2.gz HQJSQFKGKGNJIK-UHFFFAOYSA-N 1 0 409.555 4.235 50 0 HIAARO O=C1CC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1CCOc1ccccc1 ZINC000012183631 845858059 /nfs/dbraw/zinc/85/80/59/845858059.db2.gz MGQYYGMXMFHROA-XMMPIXPASA-N 1 0 406.570 4.401 50 0 HIAARO COc1cc2nc(N(C)C)c(C[NH2+]Cc3ccc(Cl)cc3)cc2c(OC)c1OC ZINC000012456013 845872117 /nfs/dbraw/zinc/87/21/17/845872117.db2.gz LUZJNQRABOYLSF-UHFFFAOYSA-N 1 0 415.921 4.270 50 0 HIAARO COC(=O)c1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012458253 845872170 /nfs/dbraw/zinc/87/21/70/845872170.db2.gz HYSHBVZRHIIRBN-PTLVVNQVSA-N 1 0 424.928 4.065 50 0 HIAARO CCOC(=O)c1nn(CC)c2c1C[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014534887 845956972 /nfs/dbraw/zinc/95/69/72/845956972.db2.gz UBRBXAVOYLVERB-UHFFFAOYSA-N 1 0 403.526 4.270 50 0 HIAARO CC(C)C[N@H+]1C[C@H](C(=O)NCCc2ccccc2)C[C@H](COc2cccc(F)c2)C1 ZINC000014750262 845977568 /nfs/dbraw/zinc/97/75/68/845977568.db2.gz DFUHTVUAMRSFGZ-FCHUYYIVSA-N 1 0 412.549 4.158 50 0 HIAARO O=C1CCC2(CC[NH+](Cc3cccn3-c3cccnc3)CC2)N1Cc1ccccc1F ZINC000014880182 845989579 /nfs/dbraw/zinc/98/95/79/845989579.db2.gz ADKQORYGIQQJOK-UHFFFAOYSA-N 1 0 418.516 4.169 50 0 HIAARO CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)CC1 ZINC000015070279 846005519 /nfs/dbraw/zinc/00/55/19/846005519.db2.gz QZBFQBHZKDOSTN-UHFFFAOYSA-N 1 0 411.933 4.309 50 0 HIAARO Cc1ncsc1CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068452 846005642 /nfs/dbraw/zinc/00/56/42/846005642.db2.gz UAIKHEJNMFTWJR-NRFANRHFSA-N 1 0 419.635 4.046 50 0 HIAARO COc1cc2c(cc1C[NH+]1CCC(O)(Cc3cc(-c4ccccc4)no3)CC1)CCC2 ZINC000015078693 846006440 /nfs/dbraw/zinc/00/64/40/846006440.db2.gz DGRJNJKNJPKEIO-UHFFFAOYSA-N 1 0 418.537 4.409 50 0 HIAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)o1 ZINC000015076344 846006946 /nfs/dbraw/zinc/00/69/46/846006946.db2.gz XPIVOGAXRLOAMP-IBGZPJMESA-N 1 0 406.530 4.287 50 0 HIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019799367 846373065 /nfs/dbraw/zinc/37/30/65/846373065.db2.gz UMOFAQDCEINNOL-BVBLWJPBSA-N 1 0 421.585 4.004 50 0 HIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020209764 846382019 /nfs/dbraw/zinc/38/20/19/846382019.db2.gz RWXAEZBLGHJEHD-HSZRJFAPSA-N 1 0 402.542 4.408 50 0 HIAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC(=O)c3ccccc32)Cc2ccccc2C1 ZINC000023367199 846690098 /nfs/dbraw/zinc/69/00/98/846690098.db2.gz VDEPZCSLMSPWNI-VWLOTQADSA-N 1 0 424.544 4.142 50 0 HIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183143 849984384 /nfs/dbraw/zinc/98/43/84/849984384.db2.gz NTYQWRIBWUEJMS-HXUWFJFHSA-N 1 0 400.485 4.334 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(-c4ccccc4)s3)cn2)CC1 ZINC000096935990 852559202 /nfs/dbraw/zinc/55/92/02/852559202.db2.gz OZGZAILOSHXYIY-XFXZXTDPSA-N 1 0 404.539 4.214 50 0 HIAARO Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000097987638 852646699 /nfs/dbraw/zinc/64/66/99/852646699.db2.gz AZNARUPWEAANGY-YPKPFQOOSA-N 1 0 414.553 4.414 50 0 HIAARO C[C@H](Cc1ccsc1)NC(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104297053 852670311 /nfs/dbraw/zinc/67/03/11/852670311.db2.gz IWXYILNIKHLHEK-WZONZLPQSA-N 1 0 406.551 4.431 50 0 HIAARO CC(C)CC(=O)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776691 853663794 /nfs/dbraw/zinc/66/37/94/853663794.db2.gz QJJONYPOAOLWLA-JOCHJYFZSA-N 1 0 402.554 4.376 50 0 HIAARO c1cn2c(n1)[C@@H](C1CC[NH+](Cc3cccnc3)CC1)N(CCc1ccccc1)CCC2 ZINC000257193359 854234603 /nfs/dbraw/zinc/23/46/03/854234603.db2.gz YDKNAJPPOXWEEM-RUZDIDTESA-N 1 0 415.585 4.180 50 0 HIAARO COc1ccc2c(c1)CCC[C@H]2[NH+]1CC(c2nc(CCOc3cccc(C)c3)no2)C1 ZINC000257195232 854235066 /nfs/dbraw/zinc/23/50/66/854235066.db2.gz VRAQBGMARSEVGK-HSZRJFAPSA-N 1 0 419.525 4.485 50 0 HIAARO COc1ccc(C[NH2+][C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)CC2)c(OC)c1 ZINC000299789814 854282045 /nfs/dbraw/zinc/28/20/45/854282045.db2.gz ABAOUNZWZBBKPC-FQEVSTJZSA-N 1 0 420.557 4.413 50 0 HIAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)c2noc(C)c2Cc2c(C)noc2C)C1 ZINC000575551860 948676940 /nfs/dbraw/zinc/67/69/40/948676940.db2.gz VPQVAVPRFAPANL-SFHVURJKSA-N 1 0 423.517 4.038 50 0 HIAARO O[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000004299579 132274491 /nfs/dbraw/zinc/27/44/91/132274491.db2.gz KULJWIMKNZHLIB-VQTJNVASSA-N 1 0 408.571 4.220 50 0 HIAARO Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000004927675 132294844 /nfs/dbraw/zinc/29/48/44/132294844.db2.gz ZUXNKKNRAWXSCZ-UHFFFAOYSA-N 1 0 404.562 4.195 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 ZINC000008023776 132326986 /nfs/dbraw/zinc/32/69/86/132326986.db2.gz IPYSGBXEEZCJNV-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3ccncc3)CC2)cc1)c1ccccc1F ZINC000011880801 132351624 /nfs/dbraw/zinc/35/16/24/132351624.db2.gz MAUUYVUZOLTHQY-UHFFFAOYSA-N 1 0 404.489 4.232 50 0 HIAARO C[C@H](NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012588970 132364644 /nfs/dbraw/zinc/36/46/44/132364644.db2.gz AQAPONPIBFFJLO-KRWDZBQOSA-N 1 0 405.464 4.095 50 0 HIAARO C[C@@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000014882849 132460528 /nfs/dbraw/zinc/46/05/28/132460528.db2.gz AFLXNQCOBYTVKT-IBGZPJMESA-N 1 0 406.574 4.400 50 0 HIAARO OCc1cc([C@H](O)C[NH2+]CCCCCCOCCCCc2ccccc2)ccc1O ZINC000003785268 336463601 /nfs/dbraw/zinc/46/36/01/336463601.db2.gz GIIZNNXWQWCKIB-RUZDIDTESA-N 1 0 415.574 4.107 50 0 fda HIAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2Cl)CC1 ZINC000244898900 518663238 /nfs/dbraw/zinc/66/32/38/518663238.db2.gz ZDQMFQSRQIGYFQ-IYARVYRRSA-N 1 0 422.997 4.263 50 0 HIAARO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040720400 521788554 /nfs/dbraw/zinc/78/85/54/521788554.db2.gz VBWGSSHKKCJCFU-UHFFFAOYSA-N 1 0 415.734 4.472 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1cccc(F)c1 ZINC000032730164 522012337 /nfs/dbraw/zinc/01/23/37/522012337.db2.gz ULDODRSCXMNNFB-IBGZPJMESA-N 1 0 417.431 4.111 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC000045980537 524408511 /nfs/dbraw/zinc/40/85/11/524408511.db2.gz GGFKDSRJSSHFOQ-IBGZPJMESA-N 1 0 405.542 4.203 50 0 HIAARO COc1ccccc1CC[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040732889 524422694 /nfs/dbraw/zinc/42/26/94/524422694.db2.gz FZHXRJDCTHKTMS-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1c(F)cccc1Cl ZINC000040719398 526017720 /nfs/dbraw/zinc/01/77/20/526017720.db2.gz XXSWYBOQWXTRQY-UHFFFAOYSA-N 1 0 403.885 4.443 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1 ZINC000043991291 526158878 /nfs/dbraw/zinc/15/88/78/526158878.db2.gz BMUVLZRKNZYSMN-UHFFFAOYSA-N 1 0 411.527 4.299 50 0 HIAARO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c2cc(Br)ccc2n1 ZINC000032961451 526253154 /nfs/dbraw/zinc/25/31/54/526253154.db2.gz WTSSDICVUJNUMN-UHFFFAOYSA-N 1 0 416.363 4.396 50 0 HIAARO O=C(CCc1cccnc1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000020601234 526618483 /nfs/dbraw/zinc/61/84/83/526618483.db2.gz DHJQZSUZMIZLGX-XMMPIXPASA-N 1 0 420.601 4.483 50 0 HIAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000040739443 527554822 /nfs/dbraw/zinc/55/48/22/527554822.db2.gz JLFGNMKQFYDRGL-UHFFFAOYSA-N 1 0 405.119 4.417 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)CC1 ZINC000005172738 536423424 /nfs/dbraw/zinc/42/34/24/536423424.db2.gz AQFKBLBOYMGODJ-UHFFFAOYSA-N 1 0 401.510 4.123 50 0 HIAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1cccc(C(F)(F)F)c1 ZINC000002515245 557353959 /nfs/dbraw/zinc/35/39/59/557353959.db2.gz OVENPWYKKICDCO-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO C[C@@H](C(=O)NCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684510 557387314 /nfs/dbraw/zinc/38/73/14/557387314.db2.gz WHJGVTUQSYWXMT-QFIPXVFZSA-N 1 0 413.565 4.099 50 0 HIAARO O=C(NCC[NH+]1CCCC1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711725 557391112 /nfs/dbraw/zinc/39/11/12/557391112.db2.gz HZQNNCPIFOZBTK-UHFFFAOYSA-N 1 0 407.539 4.215 50 0 HIAARO CCOC(=O)c1ccc(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000004710320 557585707 /nfs/dbraw/zinc/58/57/07/557585707.db2.gz MAJRTLHJNGZEGX-UHFFFAOYSA-N 1 0 417.600 4.123 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002794840 557765053 /nfs/dbraw/zinc/76/50/53/557765053.db2.gz TVBFKPZZOAVIJR-UHFFFAOYSA-N 1 0 405.498 4.092 50 0 HIAARO Brc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000010314157 557859502 /nfs/dbraw/zinc/85/95/02/557859502.db2.gz ZESSYYOEDWSWDL-UHFFFAOYSA-N 1 0 400.320 4.405 50 0 HIAARO Cc1cccnc1CNC(=O)CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019742399 558262730 /nfs/dbraw/zinc/26/27/30/558262730.db2.gz NNFBZWZEPYFADL-XMMPIXPASA-N 1 0 419.500 4.171 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921899 558263896 /nfs/dbraw/zinc/26/38/96/558263896.db2.gz BGJMXTWCMLLLQP-GHTZIAJQSA-N 1 0 401.938 4.102 50 0 HIAARO CN(Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011667795 558269545 /nfs/dbraw/zinc/26/95/45/558269545.db2.gz RRUWYLIPENHBIU-JOCHJYFZSA-N 1 0 406.549 4.398 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccccc2OC(F)(F)F)c1 ZINC000011784209 558275608 /nfs/dbraw/zinc/27/56/08/558275608.db2.gz QPSNPGRYXOGQKQ-GOSISDBHSA-N 1 0 422.447 4.265 50 0 HIAARO O=C(c1cnn(-c2ccccc2)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011815401 558279345 /nfs/dbraw/zinc/27/93/45/558279345.db2.gz NCDBJRCABRETPB-RUZDIDTESA-N 1 0 418.516 4.140 50 0 HIAARO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1 ZINC000011817538 558280863 /nfs/dbraw/zinc/28/08/63/558280863.db2.gz KOSAATAJBYPEPZ-OAQYLSRUSA-N 1 0 414.977 4.304 50 0 HIAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000011840806 558286677 /nfs/dbraw/zinc/28/66/77/558286677.db2.gz XMBKFERFHDQRJC-KRWDZBQOSA-N 1 0 400.906 4.402 50 0 HIAARO COc1cccc(-c2nc3ccc(C(=O)N4CC[NH+](C5CCCC5)CC4)cc3o2)c1 ZINC000011842352 558287708 /nfs/dbraw/zinc/28/77/08/558287708.db2.gz BHXHQTSOEZLFLA-UHFFFAOYSA-N 1 0 405.498 4.204 50 0 HIAARO COc1ccc(CCC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1 ZINC000011873463 558291123 /nfs/dbraw/zinc/29/11/23/558291123.db2.gz VIHKCTPFTMAAQY-JOCHJYFZSA-N 1 0 412.549 4.180 50 0 HIAARO OCC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000011873895 558291515 /nfs/dbraw/zinc/29/15/15/558291515.db2.gz APXVCYBPPALTFX-UHFFFAOYSA-N 1 0 401.938 4.401 50 0 HIAARO COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000011997453 558307277 /nfs/dbraw/zinc/30/72/77/558307277.db2.gz VUORXJCEAPCQMS-QFIPXVFZSA-N 1 0 420.553 4.416 50 0 HIAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000011998320 558307393 /nfs/dbraw/zinc/30/73/93/558307393.db2.gz ROEDZOQPNOSBKS-SFHVURJKSA-N 1 0 400.510 4.319 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012041625 558313129 /nfs/dbraw/zinc/31/31/29/558313129.db2.gz ZYWISEVIIYCQCS-KRWDZBQOSA-N 1 0 410.411 4.395 50 0 HIAARO OC[C@]1(CCCc2ccccc2)CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012076223 558319878 /nfs/dbraw/zinc/31/98/78/558319878.db2.gz NEZALBHPXJDXRA-AREMUKBSSA-N 1 0 407.602 4.143 50 0 HIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012091040 558324096 /nfs/dbraw/zinc/32/40/96/558324096.db2.gz LJDGQIYOBWLODK-SFHVURJKSA-N 1 0 407.432 4.171 50 0 HIAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000020207564 558347116 /nfs/dbraw/zinc/34/71/16/558347116.db2.gz PFLZCHURBSPDHB-SFHVURJKSA-N 1 0 408.521 4.335 50 0 HIAARO O=C(NCc1ccc(F)cc1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012195777 558349408 /nfs/dbraw/zinc/34/94/08/558349408.db2.gz PAAPKJGWRPUEKC-UHFFFAOYSA-N 1 0 419.500 4.194 50 0 HIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2csc(C(C)C)n2)CC1 ZINC000012200186 558351038 /nfs/dbraw/zinc/35/10/38/558351038.db2.gz CNLCFETTXRGREY-UHFFFAOYSA-N 1 0 415.603 4.302 50 0 HIAARO CC(C)[N@@H+](Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@@H]1CCC(=O)N1 ZINC000012209836 558353781 /nfs/dbraw/zinc/35/37/81/558353781.db2.gz BLNKQMHOOIWTBF-NRFANRHFSA-N 1 0 418.541 4.368 50 0 HIAARO Cc1nn(C)c(Cl)c1CN(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012298051 558367933 /nfs/dbraw/zinc/36/79/33/558367933.db2.gz JZKRCFHLKKIWAL-UHFFFAOYSA-N 1 0 409.405 4.422 50 0 HIAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012300426 558370428 /nfs/dbraw/zinc/37/04/28/558370428.db2.gz IURMVSXIHAUGCJ-KRWDZBQOSA-N 1 0 406.452 4.271 50 0 HIAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000012301434 558371151 /nfs/dbraw/zinc/37/11/51/558371151.db2.gz YYFVSBLMXFAQQT-NRFANRHFSA-N 1 0 405.542 4.211 50 0 HIAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ccncc2C)c1 ZINC000012305469 558374502 /nfs/dbraw/zinc/37/45/02/558374502.db2.gz GHXLZSKKHAPJEQ-UHFFFAOYSA-N 1 0 423.557 4.114 50 0 HIAARO CCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1 ZINC000012307940 558376398 /nfs/dbraw/zinc/37/63/98/558376398.db2.gz WYXXFWTTWOBPRE-UHFFFAOYSA-N 1 0 417.513 4.077 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cn(C)c4ccccc34)C2)cc1 ZINC000012315326 558378554 /nfs/dbraw/zinc/37/85/54/558378554.db2.gz YIKWIGJCJUJCOU-OAQYLSRUSA-N 1 0 419.569 4.214 50 0 HIAARO O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012316875 558380244 /nfs/dbraw/zinc/38/02/44/558380244.db2.gz PNCGCGQLWHTCIX-VWLOTQADSA-N 1 0 412.622 4.116 50 0 HIAARO CCOCCCNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012372972 558390316 /nfs/dbraw/zinc/39/03/16/558390316.db2.gz ZLTPCDWTGBABHX-UHFFFAOYSA-N 1 0 410.986 4.386 50 0 HIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000012387105 558395840 /nfs/dbraw/zinc/39/58/40/558395840.db2.gz ZSVFQVZHQZOHGJ-DEOSSOPVSA-N 1 0 413.562 4.134 50 0 HIAARO CC(C)/C=C/C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012387068 558395912 /nfs/dbraw/zinc/39/59/12/558395912.db2.gz FTLOXCSPZRVJJI-ZUCPIXAKSA-N 1 0 410.602 4.086 50 0 HIAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1 ZINC000012433751 558407580 /nfs/dbraw/zinc/40/75/80/558407580.db2.gz GWPOWGUQOPODCX-AWEZNQCLSA-N 1 0 402.951 4.273 50 0 HIAARO Cc1ncoc1C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012438831 558410315 /nfs/dbraw/zinc/41/03/15/558410315.db2.gz PCFITGKEXNPDQW-UHFFFAOYSA-N 1 0 409.452 4.029 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]Cc3cnn(C)c3)c(-c3ccccc3Cl)n2)cc1 ZINC000012439558 558411037 /nfs/dbraw/zinc/41/10/37/558411037.db2.gz MYDDSFIDPDHOBB-UHFFFAOYSA-N 1 0 407.905 4.225 50 0 HIAARO CC(C)C[NH+]1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000012451426 558416063 /nfs/dbraw/zinc/41/60/63/558416063.db2.gz PQVCLWGQNHLPOQ-OAQYLSRUSA-N 1 0 414.619 4.433 50 0 HIAARO CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012476821 558422747 /nfs/dbraw/zinc/42/27/47/558422747.db2.gz OBAZFKGFCJDEJY-NRFANRHFSA-N 1 0 401.510 4.045 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000004337846 558423507 /nfs/dbraw/zinc/42/35/07/558423507.db2.gz YBEOMFXSUFUEJZ-IBGZPJMESA-N 1 0 414.864 4.082 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@H](C)Cn2nc(C)cc2C)CC1 ZINC000012572920 558429761 /nfs/dbraw/zinc/42/97/61/558429761.db2.gz OSXCKNYUGLWMJL-OAQYLSRUSA-N 1 0 413.562 4.003 50 0 HIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012576093 558431044 /nfs/dbraw/zinc/43/10/44/558431044.db2.gz XQXZJYVDGFJINN-FQEVSTJZSA-N 1 0 404.514 4.122 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2csc(C(C)C)n2)cc1 ZINC000012583363 558433297 /nfs/dbraw/zinc/43/32/97/558433297.db2.gz CBAHHGSXTYBQNA-UHFFFAOYSA-N 1 0 415.603 4.302 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3nc4ccccc4s3)nc21 ZINC000004359247 558450189 /nfs/dbraw/zinc/45/01/89/558450189.db2.gz OKJAJYXIRLFIKW-UHFFFAOYSA-N 1 0 412.540 4.123 50 0 HIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccc(F)cc2F)CC1 ZINC000012711602 558452803 /nfs/dbraw/zinc/45/28/03/558452803.db2.gz FRFGBRHIDDPEQW-UHFFFAOYSA-N 1 0 402.485 4.000 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)NCc1ccccc1Cl ZINC000012714237 558454401 /nfs/dbraw/zinc/45/44/01/558454401.db2.gz CKGVHRBXJNMEBC-INIZCTEOSA-N 1 0 412.921 4.185 50 0 HIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cnn(-c4ccccc4F)c3)c2C)cc1 ZINC000012715196 558454676 /nfs/dbraw/zinc/45/46/76/558454676.db2.gz YAZGMLPZUXSXJP-INIZCTEOSA-N 1 0 405.477 4.365 50 0 HIAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1 ZINC000012716055 558455138 /nfs/dbraw/zinc/45/51/38/558455138.db2.gz FBWQEGHVOSGJME-FQEVSTJZSA-N 1 0 405.542 4.415 50 0 HIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)CCOc3ccccc3)nc21 ZINC000004359741 558457044 /nfs/dbraw/zinc/45/70/44/558457044.db2.gz OJVNUZFSKOWBQB-UHFFFAOYSA-N 1 0 413.543 4.059 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(NC(=O)c2ccco2)s1 ZINC000012806360 558473922 /nfs/dbraw/zinc/47/39/22/558473922.db2.gz VCDNVIFSTZXPFC-UHFFFAOYSA-N 1 0 409.511 4.119 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1Cl ZINC000013010434 558502953 /nfs/dbraw/zinc/50/29/53/558502953.db2.gz NSVPVLDIUUCWKY-SFHVURJKSA-N 1 0 421.994 4.111 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1Cl ZINC000013010436 558502984 /nfs/dbraw/zinc/50/29/84/558502984.db2.gz NSVPVLDIUUCWKY-GOSISDBHSA-N 1 0 421.994 4.111 50 0 HIAARO Cc1cccc2c(=O)[nH]c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc12 ZINC000022790082 558511778 /nfs/dbraw/zinc/51/17/78/558511778.db2.gz PGMIYLBQUUKADI-UHFFFAOYSA-N 1 0 424.548 4.139 50 0 HIAARO C[C@@H](NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000022795926 558512196 /nfs/dbraw/zinc/51/21/96/558512196.db2.gz LUAVGJKRFZPRNT-HXUWFJFHSA-N 1 0 419.594 4.333 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1cccs1 ZINC000023563027 558562462 /nfs/dbraw/zinc/56/24/62/558562462.db2.gz RWDMVKBSFJLQFS-FQEVSTJZSA-N 1 0 420.538 4.008 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1 ZINC000013727639 558585219 /nfs/dbraw/zinc/58/52/19/558585219.db2.gz RUDFMVZWUHSGQP-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO CSc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCC4)n21)CC[C@@H](C)C3 ZINC000013728027 558585465 /nfs/dbraw/zinc/58/54/65/558585465.db2.gz QRRDRMYWWZKQLG-GFCCVEGCSA-N 1 0 419.645 4.374 50 0 HIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000013857680 558598724 /nfs/dbraw/zinc/59/87/24/558598724.db2.gz JTZYHGUVONAAKT-UHFFFAOYSA-N 1 0 424.357 4.250 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000024968822 558622906 /nfs/dbraw/zinc/62/29/06/558622906.db2.gz ZWJXVEWGBSVHFO-OAQYLSRUSA-N 1 0 406.530 4.177 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000024968817 558622953 /nfs/dbraw/zinc/62/29/53/558622953.db2.gz ZWJXVEWGBSVHFO-NRFANRHFSA-N 1 0 406.530 4.177 50 0 HIAARO COc1ccc([C@@H](C[NH2+]C2c3ccccc3-c3ccccc32)N2CCOCC2)cc1 ZINC000025702131 558648323 /nfs/dbraw/zinc/64/83/23/558648323.db2.gz FUWHNMFRKZLSRQ-RUZDIDTESA-N 1 0 400.522 4.428 50 0 HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)cc1OC ZINC000014948406 558680337 /nfs/dbraw/zinc/68/03/37/558680337.db2.gz WZVHDYXMWNOPAJ-QGZVFWFLSA-N 1 0 405.441 4.400 50 0 HIAARO C[C@H](CC[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1)c1ccccc1 ZINC000014954017 558681656 /nfs/dbraw/zinc/68/16/56/558681656.db2.gz XIRRPFWAKGKSJT-QGZVFWFLSA-N 1 0 414.933 4.297 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000014954864 558681923 /nfs/dbraw/zinc/68/19/23/558681923.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 1 0 422.548 4.461 50 0 HIAARO C[NH+]1CCN([C@H](CNC(=O)c2cccc3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000027793238 558682620 /nfs/dbraw/zinc/68/26/20/558682620.db2.gz SOFONKKUPINAKC-HSZRJFAPSA-N 1 0 407.945 4.212 50 0 HIAARO Cc1ccc(-n2cc(C[N@@H+](C)CCc3cnn(C)c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000014966419 558685872 /nfs/dbraw/zinc/68/58/72/558685872.db2.gz NYSSQIJHCZJOEV-UHFFFAOYSA-N 1 0 403.505 4.395 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cn1 ZINC000014969753 558687106 /nfs/dbraw/zinc/68/71/06/558687106.db2.gz DVQXVRNSCMEVPJ-MRXNPFEDSA-N 1 0 404.942 4.196 50 0 HIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000014972189 558687747 /nfs/dbraw/zinc/68/77/47/558687747.db2.gz QZPAZTORWJXFBF-QGZVFWFLSA-N 1 0 416.518 4.283 50 0 HIAARO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000014975636 558689119 /nfs/dbraw/zinc/68/91/19/558689119.db2.gz DWBCZFJRCQRXDB-QGZVFWFLSA-N 1 0 403.473 4.295 50 0 HIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000014988295 558693329 /nfs/dbraw/zinc/69/33/29/558693329.db2.gz DZPXESDLXTXDPR-HXUWFJFHSA-N 1 0 408.571 4.496 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1ccccc1OC(F)(F)F ZINC000014991251 558694593 /nfs/dbraw/zinc/69/45/93/558694593.db2.gz QVEVWASEJSGTNQ-GOSISDBHSA-N 1 0 422.447 4.135 50 0 HIAARO Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028292659 558698079 /nfs/dbraw/zinc/69/80/79/558698079.db2.gz DKDIDDVCCAPAHJ-OAQYLSRUSA-N 1 0 404.510 4.367 50 0 HIAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2)C1 ZINC000072280730 558705658 /nfs/dbraw/zinc/70/56/58/558705658.db2.gz OWWOWGYPHPZKBL-IBGZPJMESA-N 1 0 403.530 4.426 50 0 HIAARO c1[nH]c2ccccc2c1C[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000015069563 558711880 /nfs/dbraw/zinc/71/18/80/558711880.db2.gz LGQKYWSTFJWCHD-UHFFFAOYSA-N 1 0 409.537 4.436 50 0 HIAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](C2CCSCC2)CC1 ZINC000015069797 558711936 /nfs/dbraw/zinc/71/19/36/558711936.db2.gz BTBXIPWWKIYMSO-UHFFFAOYSA-N 1 0 412.603 4.377 50 0 HIAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000015070194 558712312 /nfs/dbraw/zinc/71/23/12/558712312.db2.gz NKNWQTOYMIZREU-UHFFFAOYSA-N 1 0 419.500 4.194 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1c(F)cccc1F ZINC000015071929 558713524 /nfs/dbraw/zinc/71/35/24/558713524.db2.gz NSNGANGDVAREMT-AWEZNQCLSA-N 1 0 422.859 4.018 50 0 HIAARO Cc1ccccc1[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)NC(N)=O ZINC000029880230 558723137 /nfs/dbraw/zinc/72/31/37/558723137.db2.gz OWPYPKVIKWTTMY-HSZRJFAPSA-N 1 0 422.573 4.498 50 0 HIAARO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030317397 558728705 /nfs/dbraw/zinc/72/87/05/558728705.db2.gz HINVEWPSJNBYFB-UHFFFAOYSA-N 1 0 421.566 4.372 50 0 HIAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087232 558760733 /nfs/dbraw/zinc/76/07/33/558760733.db2.gz KJQDTPNEYHOOIE-GOSISDBHSA-N 1 0 402.560 4.437 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cc(C)n[nH]4)C3)cc2)c1 ZINC000015935057 558763053 /nfs/dbraw/zinc/76/30/53/558763053.db2.gz MSSFTQMFPUPUOQ-HXUWFJFHSA-N 1 0 404.514 4.244 50 0 HIAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000072306393 558765625 /nfs/dbraw/zinc/76/56/25/558765625.db2.gz CEKFMCLDKBYIFZ-RUZDIDTESA-N 1 0 415.537 4.136 50 0 HIAARO CC(C)[C@@H](C)NC(=O)CN1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000072308661 558769969 /nfs/dbraw/zinc/76/99/69/558769969.db2.gz VRQZHMSFJMHLPT-RDTXWAMCSA-N 1 0 408.468 4.393 50 0 HIAARO CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402397 558790108 /nfs/dbraw/zinc/79/01/08/558790108.db2.gz GXXGDGGKWCMWJL-SFHVURJKSA-N 1 0 410.514 4.255 50 0 HIAARO CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016752235 558805014 /nfs/dbraw/zinc/80/50/14/558805014.db2.gz WAUVXIYCHOZRSF-JOCHJYFZSA-N 1 0 404.510 4.161 50 0 HIAARO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000055531389 558881838 /nfs/dbraw/zinc/88/18/38/558881838.db2.gz BCNQJBGWWSBCRZ-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(CC)cc2)CC1 ZINC000058157259 558903256 /nfs/dbraw/zinc/90/32/56/558903256.db2.gz SGIXPEJBTQMJIL-UHFFFAOYSA-N 1 0 416.569 4.329 50 0 HIAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CSc2ccc(F)cc2)CC1 ZINC000058180530 558910217 /nfs/dbraw/zinc/91/02/17/558910217.db2.gz GBZACYCYEQXZRR-INIZCTEOSA-N 1 0 419.541 4.076 50 0 HIAARO COCC[N@@H+]1CC[C@@H](CNc2nc(-c3cccs3)nc3sc(C)c(C)c32)C1 ZINC000058246479 558914902 /nfs/dbraw/zinc/91/49/02/558914902.db2.gz VQMUTRPJXUVBBH-HNNXBMFYSA-N 1 0 402.589 4.417 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(F)cc1Br ZINC000058249139 558914944 /nfs/dbraw/zinc/91/49/44/558914944.db2.gz PKNBELAWONWKJK-CQSZACIVSA-N 1 0 400.336 4.042 50 0 HIAARO Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343573 558920892 /nfs/dbraw/zinc/92/08/92/558920892.db2.gz SVUDNOVACTXHMC-ZEQRLZLVSA-N 1 0 402.542 4.000 50 0 HIAARO O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000058393476 558923732 /nfs/dbraw/zinc/92/37/32/558923732.db2.gz FJQFKNKGXKJIRX-LJQANCHMSA-N 1 0 415.331 4.299 50 0 HIAARO Cc1ccc(-n2ncc(C(=O)NCCCC[NH+]3CCC(C)CC3)c2C(F)(F)F)cc1 ZINC000058967602 558931019 /nfs/dbraw/zinc/93/10/19/558931019.db2.gz QEHIHGPXOYQNQN-UHFFFAOYSA-N 1 0 422.495 4.441 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@@](C)(O)C2)cc1F ZINC000072463178 558983087 /nfs/dbraw/zinc/98/30/87/558983087.db2.gz FEBKZKWBCTXAJK-XMMPIXPASA-N 1 0 409.505 4.342 50 0 HIAARO COc1cccc(-c2nc3cc4c(cc3cc2C[NH+]2CCSCC2)OCO4)c1OC ZINC000072474239 558983716 /nfs/dbraw/zinc/98/37/16/558983716.db2.gz XHCCDQRMTAOATK-UHFFFAOYSA-N 1 0 424.522 4.197 50 0 HIAARO C[N@@H+]1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072479996 558984030 /nfs/dbraw/zinc/98/40/30/558984030.db2.gz FAYWYDAUGOHTMM-UHFFFAOYSA-N 1 0 409.917 4.421 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)c1ccc(-c2ccccc2)cc1 ZINC000076981632 558998830 /nfs/dbraw/zinc/99/88/30/558998830.db2.gz YKWICQKQTJVXJY-LJQANCHMSA-N 1 0 404.510 4.081 50 0 HIAARO Cc1ccc([C@@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000033313877 559055274 /nfs/dbraw/zinc/05/52/74/559055274.db2.gz AIFZLIWCWBIDQH-QHCPKHFHSA-N 1 0 419.569 4.073 50 0 HIAARO O=C1CCC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)CN1Cc1ccccn1 ZINC000091494420 559071804 /nfs/dbraw/zinc/07/18/04/559071804.db2.gz DAHIARGPZBZCKG-UHFFFAOYSA-N 1 0 401.913 4.279 50 0 HIAARO CCc1ccc([C@H]2CCc3nc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cn3C2)cc1 ZINC000034899378 559163269 /nfs/dbraw/zinc/16/32/69/559163269.db2.gz QTBRRCUHDBOEQI-KNQAVFIVSA-N 1 0 410.606 4.416 50 0 HIAARO CCn1c2ccccc2c2sc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2c1=O ZINC000004939198 559211654 /nfs/dbraw/zinc/21/16/54/559211654.db2.gz RGUHUPDNISPOHW-UHFFFAOYSA-N 1 0 419.550 4.098 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005091869 559243869 /nfs/dbraw/zinc/24/38/69/559243869.db2.gz VGSRHLPIAYRICC-FQEVSTJZSA-N 1 0 407.514 4.059 50 0 HIAARO C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2ccc(F)cc2s1 ZINC000005115248 559247365 /nfs/dbraw/zinc/24/73/65/559247365.db2.gz VIHXCEMIENOXFA-UHFFFAOYSA-N 1 0 407.898 4.062 50 0 HIAARO CC1CC[NH+](CCCNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000011714311 559254716 /nfs/dbraw/zinc/25/47/16/559254716.db2.gz YTUJXFPBLXQRJZ-UHFFFAOYSA-N 1 0 404.514 4.255 50 0 HIAARO Cc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@]23COc2ccccc2C3=O)cc1 ZINC000248060046 559260828 /nfs/dbraw/zinc/26/08/28/559260828.db2.gz CYYZPJAXGZCLPS-KWTBFXGESA-N 1 0 424.500 4.133 50 0 HIAARO CC[NH+](CC)CCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 ZINC000005205549 560539335 /nfs/dbraw/zinc/53/93/35/560539335.db2.gz MAOQCQDFTXCKEK-UHFFFAOYSA-N 1 0 401.576 4.437 50 0 HIAARO CC(C)(C[NH+]1CCC(Cc2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005497082 560598161 /nfs/dbraw/zinc/59/81/61/560598161.db2.gz CSTJRWIZOXVQSN-UHFFFAOYSA-N 1 0 421.006 4.352 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc1 ZINC000017911468 560730509 /nfs/dbraw/zinc/73/05/09/560730509.db2.gz WVQNHEYYYKKELK-LJQANCHMSA-N 1 0 423.340 4.334 50 0 HIAARO Cc1cccc(C)c1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1cccs1 ZINC000101215421 560790061 /nfs/dbraw/zinc/79/00/61/560790061.db2.gz DGLFEUGPAKOVJK-UHFFFAOYSA-N 1 0 416.660 4.201 50 0 HIAARO C[NH+](C)C1(CNC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCCC1 ZINC000047627936 560896888 /nfs/dbraw/zinc/89/68/88/560896888.db2.gz PONPLSWQOMMAPH-UHFFFAOYSA-N 1 0 412.509 4.003 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000048240104 568433162 /nfs/dbraw/zinc/43/31/62/568433162.db2.gz PBBSSYUBMFETER-IRXDYDNUSA-N 1 0 416.591 4.158 50 0 HIAARO CC(=O)N(C)c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000048311532 568436958 /nfs/dbraw/zinc/43/69/58/568436958.db2.gz VEBRAJKYQKRVSC-UHFFFAOYSA-N 1 0 420.582 4.033 50 0 HIAARO O=C(CCn1ccc2cc(Br)ccc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296983 568462528 /nfs/dbraw/zinc/46/25/28/568462528.db2.gz KEEWLCSGAWUNRN-PKOBYXMFSA-N 1 0 418.379 4.175 50 0 HIAARO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012327854 568472112 /nfs/dbraw/zinc/47/21/12/568472112.db2.gz OGCZGBGWOGXSLB-OAQYLSRUSA-N 1 0 407.558 4.164 50 0 HIAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000000785876 568477055 /nfs/dbraw/zinc/47/70/55/568477055.db2.gz WVFYQQQBBBGBJX-UHFFFAOYSA-N 1 0 410.558 4.355 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4cccc(C)c4)ccc3n2)CC1 ZINC000020108635 568588323 /nfs/dbraw/zinc/58/83/23/568588323.db2.gz CQKDMMNYVQGGFC-UHFFFAOYSA-N 1 0 418.541 4.011 50 0 HIAARO C[NH+]1CCN(CCCN(Cc2cccs2)C(=S)Nc2ccccc2Cl)CC1 ZINC000020107913 568588389 /nfs/dbraw/zinc/58/83/89/568588389.db2.gz IZVWVDNRAUDLGN-UHFFFAOYSA-N 1 0 423.051 4.238 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000390829559 568591914 /nfs/dbraw/zinc/59/19/14/568591914.db2.gz ZTCUOFRRIABOEV-KKSHJYNMSA-N 1 0 423.557 4.290 50 0 HIAARO O[C@H](CSc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385334 568603098 /nfs/dbraw/zinc/60/30/98/568603098.db2.gz VVDWESQUSMHLDO-SFHVURJKSA-N 1 0 414.468 4.120 50 0 HIAARO Cc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CC[NH+](C(C)C)CC3)cc1 ZINC000020436095 568607092 /nfs/dbraw/zinc/60/70/92/568607092.db2.gz ZPYHEVVMMOJWFA-UHFFFAOYSA-N 1 0 405.567 4.468 50 0 HIAARO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000095452798 568615451 /nfs/dbraw/zinc/61/54/51/568615451.db2.gz ITDHDBLCBYQMEP-UZLBHIALSA-N 1 0 414.937 4.262 50 0 HIAARO O=C(c1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)N1CCCC[C@@H]1CCO ZINC000095457156 568617986 /nfs/dbraw/zinc/61/79/86/568617986.db2.gz OHEWWTSYTUCAFM-JWQCQUIFSA-N 1 0 421.585 4.140 50 0 HIAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000095460884 568620421 /nfs/dbraw/zinc/62/04/21/568620421.db2.gz KMAOGAJPCIQAKO-HSZRJFAPSA-N 1 0 411.546 4.086 50 0 HIAARO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000095460883 568620455 /nfs/dbraw/zinc/62/04/55/568620455.db2.gz KMAOGAJPCIQAKO-QHCPKHFHSA-N 1 0 411.546 4.086 50 0 HIAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020677995 568639855 /nfs/dbraw/zinc/63/98/55/568639855.db2.gz GMVBARSWRNJTGL-UHFFFAOYSA-N 1 0 419.573 4.145 50 0 HIAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020730397 568640810 /nfs/dbraw/zinc/64/08/10/568640810.db2.gz QSVUUCBQHDCNLE-NKFKGCMQSA-N 1 0 421.541 4.301 50 0 HIAARO Cc1ccc(NC(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1F ZINC000020766700 568643225 /nfs/dbraw/zinc/64/32/25/568643225.db2.gz REPQIVWBPZPBDV-UHFFFAOYSA-N 1 0 415.512 4.460 50 0 HIAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000021097971 568665415 /nfs/dbraw/zinc/66/54/15/568665415.db2.gz VJZWFTKNDQACDV-JOCHJYFZSA-N 1 0 416.587 4.052 50 0 HIAARO O=C(Cc1ccc(NCc2ccc(F)c(Cl)c2)cc1)NCC[NH+]1CCCCC1 ZINC000096294800 568666551 /nfs/dbraw/zinc/66/65/51/568666551.db2.gz JHWOMSBXPYSLEL-UHFFFAOYSA-N 1 0 403.929 4.236 50 0 HIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000021175049 568676869 /nfs/dbraw/zinc/67/68/69/568676869.db2.gz BGCOEJMMMHIJHA-UHFFFAOYSA-N 1 0 415.921 4.145 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000021174883 568676934 /nfs/dbraw/zinc/67/69/34/568676934.db2.gz JKDHHUGAVZBAAX-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)OCCO2 ZINC000021174793 568676942 /nfs/dbraw/zinc/67/69/42/568676942.db2.gz BTVUVAPUAPUTOG-UHFFFAOYSA-N 1 0 415.921 4.145 50 0 HIAARO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2C(=O)OC(C)(C)C)CCCC1 ZINC000096003531 568681823 /nfs/dbraw/zinc/68/18/23/568681823.db2.gz PFFSEWZJZWHYGJ-HBMCJLEFSA-N 1 0 424.626 4.368 50 0 HIAARO Cc1nn2c(ncc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c2C)c1-c1cccc(C)c1 ZINC000021537908 568712928 /nfs/dbraw/zinc/71/29/28/568712928.db2.gz KZGYJTLTKXSMKY-SFHVURJKSA-N 1 0 419.573 4.173 50 0 HIAARO Cc1cccc(-c2nocc2CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000096386666 568743184 /nfs/dbraw/zinc/74/31/84/568743184.db2.gz COBLXFKOTRSSIA-UHFFFAOYSA-N 1 0 403.526 4.363 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000248177630 568747881 /nfs/dbraw/zinc/74/78/81/568747881.db2.gz WMUUHJGYWWHQIF-OAHLLOKOSA-N 1 0 405.329 4.161 50 0 HIAARO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248172893 568748076 /nfs/dbraw/zinc/74/80/76/568748076.db2.gz TXXLXXUGEWCCMM-GOSISDBHSA-N 1 0 406.530 4.477 50 0 HIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000248235748 568748220 /nfs/dbraw/zinc/74/82/20/568748220.db2.gz DKPCJCYZILHAIH-SFHVURJKSA-N 1 0 408.521 4.245 50 0 HIAARO CCc1cc2c(ncnc2NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)s1 ZINC000021716292 568749853 /nfs/dbraw/zinc/74/98/53/568749853.db2.gz CYJOCZOLBGPOHB-UHFFFAOYSA-N 1 0 409.603 4.495 50 0 HIAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c2c1 ZINC000021934431 568761942 /nfs/dbraw/zinc/76/19/42/568761942.db2.gz GQCGBLJFNZHTIU-IBGZPJMESA-N 1 0 402.542 4.457 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022038296 568764364 /nfs/dbraw/zinc/76/43/64/568764364.db2.gz BGJMXTWCMLLLQP-NQIIRXRSSA-N 1 0 401.938 4.102 50 0 HIAARO COc1ccc2ccccc2c1CCC(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685823 568778897 /nfs/dbraw/zinc/77/88/97/568778897.db2.gz QHPCMXXFBZVXGC-HSZRJFAPSA-N 1 0 414.549 4.440 50 0 HIAARO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000056866349 568819954 /nfs/dbraw/zinc/81/99/54/568819954.db2.gz GHBWITJMAJYYHP-OAHLLOKOSA-N 1 0 409.452 4.262 50 0 HIAARO C[NH+](C)CCCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261491672 568820162 /nfs/dbraw/zinc/82/01/62/568820162.db2.gz BXHGUCIPSRFZNY-UHFFFAOYSA-N 1 0 418.372 4.342 50 0 HIAARO CC[NH+](CC)CCNCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000261492181 568820455 /nfs/dbraw/zinc/82/04/55/568820455.db2.gz SYPYEPMGPZBKPV-UHFFFAOYSA-N 1 0 415.944 4.217 50 0 HIAARO CC[NH+]1CCC(NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1 ZINC000029608718 568827776 /nfs/dbraw/zinc/82/77/76/568827776.db2.gz AWOBTOCMICGLJR-UHFFFAOYSA-N 1 0 420.376 4.209 50 0 HIAARO CN(CCc1ccccc1)N1c2ccccc2[C@](CC[NH+](C)C)(c2ccccc2)C1=O ZINC000002010177 568842523 /nfs/dbraw/zinc/84/25/23/568842523.db2.gz NEVKWTGHBMPLGE-MHZLTWQESA-N 1 0 413.565 4.361 50 0 HIAARO O=C(CCc1cnn(-c2ccccc2)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012567840 568860491 /nfs/dbraw/zinc/86/04/91/568860491.db2.gz RCCIAHBCWCHCQE-UHFFFAOYSA-N 1 0 424.548 4.303 50 0 HIAARO CCOC(=O)c1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccc3)n2)cc1 ZINC000003215978 568862506 /nfs/dbraw/zinc/86/25/06/568862506.db2.gz IJRDBVLPJDWUFU-HNNXBMFYSA-N 1 0 409.511 4.276 50 0 HIAARO COc1ccc2cc(C[NH2+][C@H]3CC[C@H](O)CC3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000299783708 568875344 /nfs/dbraw/zinc/87/53/44/568875344.db2.gz XHWQJFFAJPEZNZ-MXVIHJGJSA-N 1 0 422.525 4.321 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(OC)c(F)c3)cc2C)CC1 ZINC000058099408 568885509 /nfs/dbraw/zinc/88/55/09/568885509.db2.gz ZTLODAJJPZGBHY-KRWDZBQOSA-N 1 0 414.525 4.167 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2OC)[NH+]2CCCC2)cc1 ZINC000003414383 568898965 /nfs/dbraw/zinc/89/89/65/568898965.db2.gz YAYHYWWKCFAPKI-QHCPKHFHSA-N 1 0 404.510 4.424 50 0 HIAARO CC[NH+](CC)CCOc1cc(NC(=O)NCCCOC2CCCCC2)ccc1OC ZINC000058379407 568914983 /nfs/dbraw/zinc/91/49/83/568914983.db2.gz ITOUHMGAFQSQRE-UHFFFAOYSA-N 1 0 421.582 4.277 50 0 HIAARO CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031550445 568927799 /nfs/dbraw/zinc/92/77/99/568927799.db2.gz HFKSEDAVJBGVPE-UHFFFAOYSA-N 1 0 411.571 4.105 50 0 HIAARO CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCC[NH+](C)C ZINC000004029173 568934205 /nfs/dbraw/zinc/93/42/05/568934205.db2.gz HYTUDZGQKPADOZ-ZIZQTRSUSA-N 1 0 422.654 4.488 50 0 biogenic HIAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000004034416 568935130 /nfs/dbraw/zinc/93/51/30/568935130.db2.gz UKRTXAHAIPBVCE-UHFFFAOYSA-N 1 0 406.452 4.039 50 0 HIAARO CCOc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1 ZINC000004193229 568950651 /nfs/dbraw/zinc/95/06/51/568950651.db2.gz ZIAIGVHNYBJCON-UHFFFAOYSA-N 1 0 403.482 4.262 50 0 HIAARO COc1ccc(C)cc1NC(=O)c1cnn(-c2cccc(C)c2)c1C1CC[NH2+]CC1 ZINC000015726912 568978412 /nfs/dbraw/zinc/97/84/12/568978412.db2.gz BHMYPHOWSFPNCA-UHFFFAOYSA-N 1 0 404.514 4.217 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[NH+]2CCCC2)cc1 ZINC000012944324 569028896 /nfs/dbraw/zinc/02/88/96/569028896.db2.gz NYSBOALVGFZQRK-OAQYLSRUSA-N 1 0 407.539 4.386 50 0 HIAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575620719 569038855 /nfs/dbraw/zinc/03/88/55/569038855.db2.gz LNGBKHFDJCWDTG-HXUWFJFHSA-N 1 0 406.461 4.005 50 0 HIAARO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000229977453 569040752 /nfs/dbraw/zinc/04/07/52/569040752.db2.gz WEGCQYBKVQMRNY-WIYYLYMNSA-N 1 0 407.558 4.035 50 0 HIAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000035528943 569044089 /nfs/dbraw/zinc/04/40/89/569044089.db2.gz IEFHBRGGPMUBJM-UHFFFAOYSA-N 1 0 414.594 4.091 50 0 HIAARO Cc1c(C)n(C[C@H](O)C[N@H+](Cc2ccccc2)[C@H]2CCCC[C@H]2O)c2ccccc12 ZINC000245229064 569055268 /nfs/dbraw/zinc/05/52/68/569055268.db2.gz MEUDZLHQBCXDFC-ZSQFBXSQSA-N 1 0 406.570 4.425 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000245257185 569055574 /nfs/dbraw/zinc/05/55/74/569055574.db2.gz WPRFCXGUCIRKHE-DENIHFKCSA-N 1 0 418.566 4.173 50 0 HIAARO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000089518947 569062720 /nfs/dbraw/zinc/06/27/20/569062720.db2.gz SUTCPEASIKLNNV-CYFREDJKSA-N 1 0 407.558 4.203 50 0 HIAARO CCCc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035925656 569066338 /nfs/dbraw/zinc/06/63/38/569066338.db2.gz ORJCQSBWEJXSLI-UHFFFAOYSA-N 1 0 412.541 4.090 50 0 HIAARO O[C@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1F ZINC000006587259 569067820 /nfs/dbraw/zinc/06/78/20/569067820.db2.gz IRKNYYFMXHQFLF-TZIWHRDSSA-N 1 0 404.485 4.468 50 0 HIAARO Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000054302601 569070147 /nfs/dbraw/zinc/07/01/47/569070147.db2.gz RZXMVBSGFRIQBU-UHFFFAOYSA-N 1 0 418.932 4.100 50 0 HIAARO O=C(NCc1ccc(Br)cc1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818109 569101146 /nfs/dbraw/zinc/10/11/46/569101146.db2.gz POEMDSJZUCNUGQ-UHFFFAOYSA-N 1 0 403.295 4.037 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000169679545 569126877 /nfs/dbraw/zinc/12/68/77/569126877.db2.gz LHUSIVTYHUMTPL-IIBYNOLFSA-N 1 0 423.488 4.107 50 0 HIAARO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036345102 569143061 /nfs/dbraw/zinc/14/30/61/569143061.db2.gz WXSFSPGVSVVUIM-XMMPIXPASA-N 1 0 405.542 4.413 50 0 HIAARO COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036345639 569143424 /nfs/dbraw/zinc/14/34/24/569143424.db2.gz RLSBOSPCAFUGRL-DEOSSOPVSA-N 1 0 405.542 4.413 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000006873445 569162533 /nfs/dbraw/zinc/16/25/33/569162533.db2.gz VUELXODBIVAGIH-DNQXCXABSA-N 1 0 410.558 4.386 50 0 HIAARO Cn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3F)CC2)c2cc(Cl)ccc21 ZINC000065060087 569163910 /nfs/dbraw/zinc/16/39/10/569163910.db2.gz WPRPGBHEFHICPN-UHFFFAOYSA-N 1 0 413.924 4.499 50 0 HIAARO Cn1cc(C[NH+]2CCC(C(=O)NCc3cccc(F)c3)CC2)c2cc(Cl)ccc21 ZINC000065060101 569163971 /nfs/dbraw/zinc/16/39/71/569163971.db2.gz IZLIVQCSWCUWKV-UHFFFAOYSA-N 1 0 413.924 4.499 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877400 569164188 /nfs/dbraw/zinc/16/41/88/569164188.db2.gz GJCGQHRRHPIOEC-IBGZPJMESA-N 1 0 421.541 4.166 50 0 HIAARO Cn1ccnc1[C@](O)(CC[NH2+]CCCCc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000170607114 569244482 /nfs/dbraw/zinc/24/44/82/569244482.db2.gz RXDARHCKOJJVQG-QGZVFWFLSA-N 1 0 424.294 4.479 50 0 HIAARO CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1 ZINC000007544145 569248604 /nfs/dbraw/zinc/24/86/04/569248604.db2.gz WFYURZPOMWWIKW-KRWDZBQOSA-N 1 0 408.571 4.230 50 0 HIAARO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000089887973 569267697 /nfs/dbraw/zinc/26/76/97/569267697.db2.gz BRTRQCKQXGUAQK-KXBFYZLASA-N 1 0 421.379 4.325 50 0 HIAARO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000016993814 569270863 /nfs/dbraw/zinc/27/08/63/569270863.db2.gz FVHSSMRGFYTAMG-XMMPIXPASA-N 1 0 403.526 4.127 50 0 HIAARO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000016993880 569270875 /nfs/dbraw/zinc/27/08/75/569270875.db2.gz ZARGHPFYAMMOSH-DEOSSOPVSA-N 1 0 422.525 4.334 50 0 HIAARO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c(=O)n1Cc1cccnc1 ZINC000016993801 569270907 /nfs/dbraw/zinc/27/09/07/569270907.db2.gz NJOFFIICULMQFP-HSZRJFAPSA-N 1 0 407.489 4.020 50 0 HIAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002137248 569287414 /nfs/dbraw/zinc/28/74/14/569287414.db2.gz LFQOBUGWTJTTGE-IQMXBARESA-N 1 0 423.597 4.226 50 0 biogenic HIAARO COC[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000252536373 569292872 /nfs/dbraw/zinc/29/28/72/569292872.db2.gz IHRBAUWKEGMRHW-DYESRHJHSA-N 1 0 420.475 4.487 50 0 HIAARO CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccnc1 ZINC000252552557 569294250 /nfs/dbraw/zinc/29/42/50/569294250.db2.gz UWGHQFZQZXVTHR-PWRODBHTSA-N 1 0 419.491 4.248 50 0 HIAARO CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000002235096 569321252 /nfs/dbraw/zinc/32/12/52/569321252.db2.gz CVUFXTDUEOOAER-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccccc1Cl ZINC000002705699 569322276 /nfs/dbraw/zinc/32/22/76/569322276.db2.gz XWBTYQIQCAIGNI-UHFFFAOYSA-N 1 0 411.958 4.425 50 0 HIAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1Oc1nc2ccccc2n2cnnc12 ZINC000002242130 569323606 /nfs/dbraw/zinc/32/36/06/569323606.db2.gz GZYCVSDXEKTBNB-UHFFFAOYSA-N 1 0 411.465 4.368 50 0 HIAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000002293718 569369288 /nfs/dbraw/zinc/36/92/88/569369288.db2.gz BAZFPNWWURAWMJ-UHFFFAOYSA-N 1 0 405.517 4.146 50 0 HIAARO CCCc1nc2oc3c(ncnc3NCC[NH+](CC)CC)c2c2c1COC(C)(C)C2 ZINC000002337671 569376132 /nfs/dbraw/zinc/37/61/32/569376132.db2.gz WOYBELCRASNESS-UHFFFAOYSA-N 1 0 411.550 4.329 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000002432769 569399416 /nfs/dbraw/zinc/39/94/16/569399416.db2.gz GREDFSFXEAWWRX-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000079013786 569423606 /nfs/dbraw/zinc/42/36/06/569423606.db2.gz COQAGPUPRHEMAH-UHFFFAOYSA-N 1 0 415.541 4.441 50 0 HIAARO O=C(c1cnc2ccc(F)cc2c1N1CC[NH+](C2CCCCC2)CC1)N1CCCCC1 ZINC000067288137 571066154 /nfs/dbraw/zinc/06/61/54/571066154.db2.gz WXSMFWUUJVCNLZ-UHFFFAOYSA-N 1 0 424.564 4.455 50 0 HIAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000039978761 571136000 /nfs/dbraw/zinc/13/60/00/571136000.db2.gz DPLKYXYRQXYXQW-RBUKOAKNSA-N 1 0 417.557 4.016 50 0 HIAARO COc1ccc([C@H](CNC(=O)NCCc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000040001140 571137646 /nfs/dbraw/zinc/13/76/46/571137646.db2.gz KSCKXBCGOYTECU-NRFANRHFSA-N 1 0 401.938 4.027 50 0 HIAARO COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc1 ZINC000008935324 571163649 /nfs/dbraw/zinc/16/36/49/571163649.db2.gz VPLQXKGEULTZKJ-HXUWFJFHSA-N 1 0 407.341 4.498 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000040107151 571167625 /nfs/dbraw/zinc/16/76/25/571167625.db2.gz YSLWDSDPKQMQIK-CQSZACIVSA-N 1 0 404.967 4.156 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)c(C)c2)CC1 ZINC000040115443 571173080 /nfs/dbraw/zinc/17/30/80/571173080.db2.gz HEVNTBFDNFMLKK-UHFFFAOYSA-N 1 0 423.557 4.446 50 0 HIAARO CC(C)[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)[NH+]1CCC(C)CC1 ZINC000040154275 571201460 /nfs/dbraw/zinc/20/14/60/571201460.db2.gz HLHRWIZLEXEHIF-NRFANRHFSA-N 1 0 415.509 4.157 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-n2ccnc2C)ccn1)c1ccccc1Cl ZINC000069351576 571221809 /nfs/dbraw/zinc/22/18/09/571221809.db2.gz GYTJQBWYIQOWPO-NRFANRHFSA-N 1 0 411.937 4.042 50 0 HIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000069441958 571227998 /nfs/dbraw/zinc/22/79/98/571227998.db2.gz QMWLDDYTINPBJP-JTHBVZDNSA-N 1 0 404.514 4.033 50 0 HIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000069441963 571228016 /nfs/dbraw/zinc/22/80/16/571228016.db2.gz QMWLDDYTINPBJP-GMAHTHKFSA-N 1 0 404.514 4.033 50 0 HIAARO NC(=O)c1ccc(C[NH+]2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000069663101 571237348 /nfs/dbraw/zinc/23/73/48/571237348.db2.gz JFGYPZOLMBGDPN-IBGZPJMESA-N 1 0 422.916 4.259 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1F)N(CC[NH+](C)C)C3=O ZINC000009328225 571248309 /nfs/dbraw/zinc/24/83/09/571248309.db2.gz GYWPMOOONCWMIM-IBGZPJMESA-N 1 0 414.864 4.001 50 0 HIAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)Cc3ccc(Cl)s3)sc2c1 ZINC000010061563 571294560 /nfs/dbraw/zinc/29/45/60/571294560.db2.gz KIVWDLCBICYTEO-UHFFFAOYSA-N 1 0 409.964 4.157 50 0 HIAARO CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](C)CC2)cc1 ZINC000010214357 571296826 /nfs/dbraw/zinc/29/68/26/571296826.db2.gz JHZJDXFRJZEJMT-NRFANRHFSA-N 1 0 407.514 4.059 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000010233226 571297652 /nfs/dbraw/zinc/29/76/52/571297652.db2.gz BNQHOBOQUTUOOJ-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC(C)(C)C[NH+](C)C)cc12 ZINC000005783112 845141235 /nfs/dbraw/zinc/14/12/35/845141235.db2.gz QWGXAUHKERKUIN-UHFFFAOYSA-N 1 0 404.967 4.366 50 0 HIAARO Cc1ccc(CCC(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)cc1 ZINC000011838925 845838222 /nfs/dbraw/zinc/83/82/22/845838222.db2.gz VBSFAWQXDICCAZ-XMMPIXPASA-N 1 0 424.560 4.397 50 0 HIAARO CCc1noc(C)c1C(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012227694 845860628 /nfs/dbraw/zinc/86/06/28/845860628.db2.gz LOVKSTIMORUBKA-UHFFFAOYSA-N 1 0 403.954 4.226 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000012429578 845870184 /nfs/dbraw/zinc/87/01/84/845870184.db2.gz NHURNSAJVRJTDH-UHFFFAOYSA-N 1 0 403.526 4.260 50 0 HIAARO Clc1ccc(-n2cccc2C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)nc1 ZINC000012434881 845871460 /nfs/dbraw/zinc/87/14/60/845871460.db2.gz JNHMFHBDSASAEW-IBGZPJMESA-N 1 0 424.932 4.373 50 0 HIAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000012707031 845885201 /nfs/dbraw/zinc/88/52/01/845885201.db2.gz HGFGRJGBJREFEB-SFHVURJKSA-N 1 0 407.489 4.330 50 0 HIAARO COc1ccc(Cc2nc3ccc(C(=O)N4CC[NH+](C5CCCC5)CC4)cc3o2)cc1 ZINC000012758213 845888592 /nfs/dbraw/zinc/88/85/92/845888592.db2.gz LVCPAWIILPCHKM-UHFFFAOYSA-N 1 0 419.525 4.128 50 0 HIAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014733079 845975776 /nfs/dbraw/zinc/97/57/76/845975776.db2.gz YHDCGSCOCWCLPQ-UHFFFAOYSA-N 1 0 424.589 4.232 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)CCc3ccccc3)CC2)c1 ZINC000014951405 845994928 /nfs/dbraw/zinc/99/49/28/845994928.db2.gz HLNVJHTZFDIITK-LJQANCHMSA-N 1 0 422.569 4.452 50 0 HIAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccccc1 ZINC000014979752 845995423 /nfs/dbraw/zinc/99/54/23/845995423.db2.gz SOPAXWYJIPJUCV-DEOSSOPVSA-N 1 0 418.541 4.355 50 0 HIAARO CC(C)C[N@H+](C)[C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000015004021 845998742 /nfs/dbraw/zinc/99/87/42/845998742.db2.gz ZJYXOCIVLCEXMV-SFHVURJKSA-N 1 0 407.583 4.243 50 0 HIAARO C[C@H]([NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1cccs1 ZINC000015003519 845999028 /nfs/dbraw/zinc/99/90/28/845999028.db2.gz GMVNQYWNAVGTBM-INIZCTEOSA-N 1 0 407.543 4.110 50 0 HIAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)s1 ZINC000015065898 846005071 /nfs/dbraw/zinc/00/50/71/846005071.db2.gz YVABNPIFEGWHDE-KRWDZBQOSA-N 1 0 408.527 4.490 50 0 HIAARO Cc1oc(-c2cccc3ccccc32)nc1CN1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000019148275 846353676 /nfs/dbraw/zinc/35/36/76/846353676.db2.gz MOSHRKHGRXGNGB-FQEVSTJZSA-N 1 0 419.569 4.472 50 0 HIAARO Fc1cccc2ccc(CN3CCC[C@H]([NH+]4CCN(c5ccccc5)CC4)C3)nc12 ZINC000019800211 846372231 /nfs/dbraw/zinc/37/22/31/846372231.db2.gz UQIFHKOXXRJBKL-QHCPKHFHSA-N 1 0 404.533 4.161 50 0 HIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019799365 846372288 /nfs/dbraw/zinc/37/22/88/846372288.db2.gz UMOFAQDCEINNOL-NKOINVLESA-N 1 0 421.585 4.004 50 0 HIAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000019836747 846372516 /nfs/dbraw/zinc/37/25/16/846372516.db2.gz NRMBCYGOFKKERB-JOCHJYFZSA-N 1 0 418.541 4.135 50 0 HIAARO CC(C)N1C[C@H]([NH2+]C2CCCCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000020913450 846394640 /nfs/dbraw/zinc/39/46/40/846394640.db2.gz JEONFDZDNJULSN-GGAORHGYSA-N 1 0 403.586 4.038 50 0 HIAARO Cc1nc(C(=O)NC[C@@H](C)Oc2cccc(C[N@H+](C)Cc3cccs3)c2)cs1 ZINC000055108853 849971981 /nfs/dbraw/zinc/97/19/81/849971981.db2.gz GXAWNUYLNQUSKV-OAHLLOKOSA-N 1 0 415.584 4.342 50 0 HIAARO CCCCn1nc(C)c(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000097994341 852647876 /nfs/dbraw/zinc/64/78/76/852647876.db2.gz GVPUAZPOPDKBBM-KHPPLWFESA-N 1 0 415.969 4.049 50 0 HIAARO C[NH+]1CCN(CCOc2ccccc2NC(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000098055804 852652016 /nfs/dbraw/zinc/65/20/16/852652016.db2.gz XNIISFXLAYUMLG-YPKPFQOOSA-N 1 0 415.537 4.118 50 0 HIAARO CC1CCN(C(=O)c2ccccc2OC[C@@H]2CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000169775427 853661964 /nfs/dbraw/zinc/66/19/64/853661964.db2.gz DTYKLFYEIKOQDI-OAQYLSRUSA-N 1 0 407.558 4.245 50 0 HIAARO c1cn2c(n1)[C@H](C1CC[NH+](CCc3ccccc3)CC1)N(Cc1cccnc1)CCC2 ZINC000257187214 854233824 /nfs/dbraw/zinc/23/38/24/854233824.db2.gz ACKHJJRNYPGDAV-VWLOTQADSA-N 1 0 415.585 4.180 50 0 HIAARO CCn1cc(C[NH+]2CCC(N3C(=O)C4(CCCCC4)[C@@H]3c3ccccc3)CC2)cn1 ZINC000257186577 854234264 /nfs/dbraw/zinc/23/42/64/854234264.db2.gz KOPQRYRBBKVHAC-QHCPKHFHSA-N 1 0 406.574 4.401 50 0 HIAARO c1ccc(-c2noc(C[C@@H]3CCOC4(CC[NH+](Cc5cccnc5)CC4)C3)n2)cc1 ZINC000257196396 854235710 /nfs/dbraw/zinc/23/57/10/854235710.db2.gz YDSMCQHYOBLZRD-IBGZPJMESA-N 1 0 404.514 4.136 50 0 HIAARO Cc1cc(-c2cc3c(c(OCC4(C)COC4)c2)OCC[NH2+]C3)nc2cc(F)ccc12 ZINC000299761073 854281016 /nfs/dbraw/zinc/28/10/16/854281016.db2.gz QXADQUOXYNUHDV-UHFFFAOYSA-N 1 0 408.473 4.247 50 0 HIAARO Cn1cccc1C[N@@H+]1CC[C@@H](Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1 ZINC000575313732 948643122 /nfs/dbraw/zinc/64/31/22/948643122.db2.gz NZAVJNCZURCHEK-JOCHJYFZSA-N 1 0 400.482 4.395 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1 ZINC000004983292 132297813 /nfs/dbraw/zinc/29/78/13/132297813.db2.gz RELGZNNDFHZXOY-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO CC(C)Oc1c(Br)cc(CNCCC[NH+](C)C)cc1Br ZINC000040719675 519777484 /nfs/dbraw/zinc/77/74/84/519777484.db2.gz HGZMEEIWLDXMHE-UHFFFAOYSA-N 1 0 408.178 4.040 50 0 HIAARO CCOc1cc(C[NH2+]CCOCCO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736998 520716101 /nfs/dbraw/zinc/71/61/01/520716101.db2.gz LRIDAWHBLQPZNB-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2F)cc(Cl)c1OCC(=O)N(C)C ZINC000025363107 520728235 /nfs/dbraw/zinc/72/82/35/520728235.db2.gz NWYREVSKBSFXJJ-AWEZNQCLSA-N 1 0 408.901 4.196 50 0 HIAARO COc1cc(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)ccc1F ZINC000020541957 521904392 /nfs/dbraw/zinc/90/43/92/521904392.db2.gz XGBIOZWSTUIFFV-UHFFFAOYSA-N 1 0 411.477 4.374 50 0 HIAARO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000040719971 522447621 /nfs/dbraw/zinc/44/76/21/522447621.db2.gz NOPVEGVBVCCYAO-UHFFFAOYSA-N 1 0 421.379 4.386 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032593965 523094683 /nfs/dbraw/zinc/09/46/83/523094683.db2.gz SOSCYUIVQUJNHF-QFIPXVFZSA-N 1 0 405.498 4.226 50 0 HIAARO CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036385820 523554604 /nfs/dbraw/zinc/55/46/04/523554604.db2.gz LOQRUELIVAWFRH-UHFFFAOYSA-N 1 0 410.484 4.420 50 0 HIAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000045994790 524230557 /nfs/dbraw/zinc/23/05/57/524230557.db2.gz QKASZGVTASJFFC-UHFFFAOYSA-N 1 0 424.545 4.129 50 0 HIAARO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)c1C ZINC000025499694 524553963 /nfs/dbraw/zinc/55/39/63/524553963.db2.gz SFVXZMMLKYIBKL-GOSISDBHSA-N 1 0 409.357 4.172 50 0 HIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000032067602 524556523 /nfs/dbraw/zinc/55/65/23/524556523.db2.gz MXMGXOOOBVNMRS-UHFFFAOYSA-N 1 0 417.956 4.049 50 0 HIAARO COc1ccccc1[C@@H](C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C)N1CCCC1 ZINC000032740419 524734343 /nfs/dbraw/zinc/73/43/43/524734343.db2.gz MPRVLMPRXMURMB-XMMPIXPASA-N 1 0 404.558 4.424 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccccc2OC(F)F)CC1 ZINC000045411942 525136451 /nfs/dbraw/zinc/13/64/51/525136451.db2.gz HFGRVBPXRQZOAR-UHFFFAOYSA-N 1 0 403.473 4.060 50 0 HIAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899648 525495773 /nfs/dbraw/zinc/49/57/73/525495773.db2.gz UMGKXKDMRMOBMO-QUCCMNQESA-N 1 0 421.493 4.341 50 0 HIAARO COc1cccc(CCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1OC ZINC000032930071 525882055 /nfs/dbraw/zinc/88/20/55/525882055.db2.gz LMXAWDSXFQBVNY-IBGZPJMESA-N 1 0 410.558 4.185 50 0 HIAARO Cc1noc(-c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc2)n1 ZINC000032908322 526450641 /nfs/dbraw/zinc/45/06/41/526450641.db2.gz ZNONBQSKNASGCV-IBGZPJMESA-N 1 0 410.543 4.310 50 0 HIAARO O=C(C[N@@H+]1CCC[C@@H](COCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000056908426 526749853 /nfs/dbraw/zinc/74/98/53/526749853.db2.gz AMZIYXPRBLHWTB-GOSISDBHSA-N 1 0 417.347 4.316 50 0 HIAARO O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000032922032 526873452 /nfs/dbraw/zinc/87/34/52/526873452.db2.gz RZCXVXVCZIWRRH-JOCHJYFZSA-N 1 0 409.530 4.400 50 0 HIAARO O=C(c1nc2sccn2c1C[NH2+]C1Cc2ccccc2C1)N1CCCCCCC1 ZINC000020599726 526919833 /nfs/dbraw/zinc/91/98/33/526919833.db2.gz PPUQIQVELIGYCQ-UHFFFAOYSA-N 1 0 408.571 4.059 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911475 527526475 /nfs/dbraw/zinc/52/64/75/527526475.db2.gz GWAHWIQVGFUYEP-OAQYLSRUSA-N 1 0 406.505 4.023 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000001078261 536424482 /nfs/dbraw/zinc/42/44/82/536424482.db2.gz GFLVRUURAJEVQZ-UHFFFAOYSA-N 1 0 408.727 4.107 50 0 HIAARO O=C(Nc1ccc(I)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010336988 557271454 /nfs/dbraw/zinc/27/14/54/557271454.db2.gz HRVDIWMDFVAJSK-UHFFFAOYSA-N 1 0 406.267 4.139 50 0 HIAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002432103 557346895 /nfs/dbraw/zinc/34/68/95/557346895.db2.gz DBVVIGKNUZNXOZ-NRFANRHFSA-N 1 0 404.510 4.197 50 0 HIAARO Cc1ccc(OCCC[N@@H+]2CCc3ccccc3C2)c(I)c1 ZINC000002845303 557402529 /nfs/dbraw/zinc/40/25/29/557402529.db2.gz VQIUWMLECSTIKT-UHFFFAOYSA-N 1 0 407.295 4.427 50 0 HIAARO COc1cccc([C@H]2C[N@H+](Cc3ccncc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740292 557443730 /nfs/dbraw/zinc/44/37/30/557443730.db2.gz NQCIRBLFTLMGGH-UKILVPOCSA-N 1 0 423.601 4.446 50 0 HIAARO [NH3+]CCc1c[nH]c2ccc(OC(=O)c3ccccc3C(=O)OCc3ccccc3)cc12 ZINC000004014920 557505318 /nfs/dbraw/zinc/50/53/18/557505318.db2.gz ODMPHEXPFJLGJT-UHFFFAOYSA-N 1 0 414.461 4.245 50 0 HIAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000004177084 557525011 /nfs/dbraw/zinc/52/50/11/557525011.db2.gz IXIFGHGIRITVND-MRXNPFEDSA-N 1 0 409.368 4.072 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000006762191 557719974 /nfs/dbraw/zinc/71/99/74/557719974.db2.gz SBJJZCTXAHQMMQ-XMMPIXPASA-N 1 0 406.570 4.389 50 0 HIAARO COc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1cccnc1 ZINC000007274948 557738672 /nfs/dbraw/zinc/73/86/72/557738672.db2.gz NHOHNVLPADSFON-UHFFFAOYSA-N 1 0 414.303 4.117 50 0 HIAARO CCc1ccc([C@H](CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)[NH+](C)C)cc1 ZINC000022684352 557766876 /nfs/dbraw/zinc/76/68/76/557766876.db2.gz ZHOJYGHLUMBPKS-QHCPKHFHSA-N 1 0 420.553 4.324 50 0 HIAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000002974545 557776063 /nfs/dbraw/zinc/77/60/63/557776063.db2.gz VSPQIXDUUYYARO-JOCHJYFZSA-N 1 0 401.914 4.008 50 0 HIAARO Cc1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022785917 557820358 /nfs/dbraw/zinc/82/03/58/557820358.db2.gz KMRGSEREAMYIHW-VWLOTQADSA-N 1 0 416.565 4.142 50 0 HIAARO c1ccc(COc2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000009249983 557832727 /nfs/dbraw/zinc/83/27/27/557832727.db2.gz BSTYMSJRZUIZJR-UHFFFAOYSA-N 1 0 417.538 4.123 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]CCSc3c[nH]nn3)c(-c3cccc(C)c3)n2)cc1 ZINC000019720799 558259076 /nfs/dbraw/zinc/25/90/76/558259076.db2.gz QSVSPXCQHMAPRA-UHFFFAOYSA-N 1 0 404.543 4.156 50 0 HIAARO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916333 558259353 /nfs/dbraw/zinc/25/93/53/558259353.db2.gz YGUPVROQAOMJIY-INIZCTEOSA-N 1 0 406.357 4.181 50 0 HIAARO O=C(c1cccc(OC2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1)N1CCCC1 ZINC000011662648 558266447 /nfs/dbraw/zinc/26/64/47/558266447.db2.gz DAECFARABJBPLF-QHCPKHFHSA-N 1 0 404.554 4.323 50 0 HIAARO CN(Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011667794 558269523 /nfs/dbraw/zinc/26/95/23/558269523.db2.gz RRUWYLIPENHBIU-QFIPXVFZSA-N 1 0 406.549 4.398 50 0 HIAARO COc1cccc(CN2CC[N@@H+]([C@H](C)CCc3c[nH]c4ccccc34)CCC2=O)c1 ZINC000011783798 558275456 /nfs/dbraw/zinc/27/54/56/558275456.db2.gz SJAYSYNPFYWTAJ-LJQANCHMSA-N 1 0 405.542 4.232 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc5ccccc5[nH]4)C3)C2)c1 ZINC000011812809 558277636 /nfs/dbraw/zinc/27/76/36/558277636.db2.gz UODNSYKWWVFQPT-RUZDIDTESA-N 1 0 421.516 4.444 50 0 HIAARO CC(C)(C)NC(=O)c1cc(Cl)ccc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000011821265 558284445 /nfs/dbraw/zinc/28/44/45/558284445.db2.gz XQEGHVZEWHYJND-UHFFFAOYSA-N 1 0 401.938 4.307 50 0 HIAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCN(c2ccccc2)CC1 ZINC000019812284 558287233 /nfs/dbraw/zinc/28/72/33/558287233.db2.gz KLEQVSXZZXQLHH-UHFFFAOYSA-N 1 0 411.549 4.207 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)cc2)c1 ZINC000011878965 558293285 /nfs/dbraw/zinc/29/32/85/558293285.db2.gz FULXUEOVMWMBQT-FQEVSTJZSA-N 1 0 420.509 4.298 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1 ZINC000011905202 558295728 /nfs/dbraw/zinc/29/57/28/558295728.db2.gz JMJFSVWEOGEPEH-SFHVURJKSA-N 1 0 414.303 4.137 50 0 HIAARO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC000011937769 558301350 /nfs/dbraw/zinc/30/13/50/558301350.db2.gz LMUHDZLSQPGASB-DEOSSOPVSA-N 1 0 411.509 4.414 50 0 HIAARO O=C(NCc1ccsc1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000011938124 558301497 /nfs/dbraw/zinc/30/14/97/558301497.db2.gz QCJYTVLATBEERT-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)c(OC)c1C ZINC000011970515 558304695 /nfs/dbraw/zinc/30/46/95/558304695.db2.gz NAMKRNMTLLAGIK-HXUWFJFHSA-N 1 0 412.505 4.392 50 0 HIAARO Cc1csc(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000012051828 558314343 /nfs/dbraw/zinc/31/43/43/558314343.db2.gz GASNRYPJBIHFCV-NRFANRHFSA-N 1 0 417.619 4.088 50 0 HIAARO CCN1C[C@H](C[NH2+]Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012073303 558318449 /nfs/dbraw/zinc/31/84/49/558318449.db2.gz OBZAWCCGFWFVJZ-FQEVSTJZSA-N 1 0 402.542 4.114 50 0 HIAARO O=C(NC[C@H]1CCC[N@H+](CCCn2cccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012093445 558324783 /nfs/dbraw/zinc/32/47/83/558324783.db2.gz TUNFKGCZDDJPSB-OAQYLSRUSA-N 1 0 402.542 4.082 50 0 HIAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012111927 558326394 /nfs/dbraw/zinc/32/63/94/558326394.db2.gz DVSJXLZGWDZPPC-MRXNPFEDSA-N 1 0 406.933 4.460 50 0 HIAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000020102796 558332428 /nfs/dbraw/zinc/33/24/28/558332428.db2.gz VGLCXZQCOCVTGH-IZZDOVSWSA-N 1 0 417.597 4.065 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000020109744 558335010 /nfs/dbraw/zinc/33/50/10/558335010.db2.gz AZACNPZCGAGACO-QMMLZNLJSA-N 1 0 409.014 4.363 50 0 HIAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)C4CCCCC4)CC3)cc2)cn1 ZINC000012164947 558342258 /nfs/dbraw/zinc/34/22/58/558342258.db2.gz SXXVMEGKBCDQLI-UHFFFAOYSA-N 1 0 424.589 4.002 50 0 HIAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000020207560 558346720 /nfs/dbraw/zinc/34/67/20/558346720.db2.gz PFLZCHURBSPDHB-GOSISDBHSA-N 1 0 408.521 4.335 50 0 HIAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000012193655 558348591 /nfs/dbraw/zinc/34/85/91/558348591.db2.gz HMELATZVBTVQCH-QHCPKHFHSA-N 1 0 404.514 4.046 50 0 HIAARO CCCn1cc(C[NH+]2CCC(Cc3cccc(F)c3)(C(=O)OCC)CC2)c(C)n1 ZINC000012196786 558350031 /nfs/dbraw/zinc/35/00/31/558350031.db2.gz HVYKFOFQFYIXLS-UHFFFAOYSA-N 1 0 401.526 4.129 50 0 HIAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012204549 558352250 /nfs/dbraw/zinc/35/22/50/558352250.db2.gz PZWDABPHMGHSPP-VMPITWQZSA-N 1 0 418.459 4.462 50 0 HIAARO Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2cnccn2)cc1C[NH+](C)C ZINC000012205118 558352605 /nfs/dbraw/zinc/35/26/05/558352605.db2.gz HNBOUPXQWYVQTF-UHFFFAOYSA-N 1 0 410.905 4.185 50 0 HIAARO Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000020295755 558354532 /nfs/dbraw/zinc/35/45/32/558354532.db2.gz IXJIZTJXPYRIDY-QFIPXVFZSA-N 1 0 406.961 4.452 50 0 HIAARO Cc1ccc(C)c(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)c1 ZINC000012244309 558361066 /nfs/dbraw/zinc/36/10/66/558361066.db2.gz OQXSTLOOCBVVHK-UGKGYDQZSA-N 1 0 420.582 4.194 50 0 HIAARO FC(F)(F)c1ccccc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020449303 558364541 /nfs/dbraw/zinc/36/45/41/558364541.db2.gz AYORWNBJHCSFHE-NRFANRHFSA-N 1 0 403.492 4.492 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)cc1 ZINC000012299961 558369874 /nfs/dbraw/zinc/36/98/74/558369874.db2.gz ZVVOCDNYLDQLJP-LJQANCHMSA-N 1 0 405.498 4.189 50 0 HIAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1 ZINC000012320680 558382498 /nfs/dbraw/zinc/38/24/98/558382498.db2.gz JPUOHIKYTGJYGZ-UHFFFAOYSA-N 1 0 403.530 4.077 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)Cc1ccccc1F ZINC000012387640 558396372 /nfs/dbraw/zinc/39/63/72/558396372.db2.gz MVYOOXGQETVQID-UHFFFAOYSA-N 1 0 402.941 4.435 50 0 HIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012439864 558411340 /nfs/dbraw/zinc/41/13/40/558411340.db2.gz FOWCHVLUWQUTGX-UHFFFAOYSA-N 1 0 409.526 4.236 50 0 HIAARO Cc1cccn2c(C[NH2+]CCc3ccccc3Cl)c(C(=O)N3CCCCC3)nc12 ZINC000020777040 558412177 /nfs/dbraw/zinc/41/21/77/558412177.db2.gz TZHRCVBSOLQHCH-UHFFFAOYSA-N 1 0 410.949 4.255 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1CO ZINC000012465013 558420162 /nfs/dbraw/zinc/42/01/62/558420162.db2.gz KWHKUJDDKIUUDJ-NRFANRHFSA-N 1 0 411.542 4.460 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919142 558423434 /nfs/dbraw/zinc/42/34/34/558423434.db2.gz PSWSZLNEMPJBJV-NRFANRHFSA-N 1 0 418.585 4.272 50 0 HIAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cnn(C)c3C)CC2)c1 ZINC000012481143 558423487 /nfs/dbraw/zinc/42/34/87/558423487.db2.gz MRFVJNOXLGCDKH-UHFFFAOYSA-N 1 0 418.541 4.255 50 0 HIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(c2nnc(SC[C@H]3CCCO3)n2C)CC1 ZINC000012571226 558429042 /nfs/dbraw/zinc/42/90/42/558429042.db2.gz QXZRPGKHDQJXEN-BKBDBRRMSA-N 1 0 412.603 4.369 50 0 HIAARO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000021702693 558446036 /nfs/dbraw/zinc/44/60/36/558446036.db2.gz HYWBGLHMOCPVLO-PMACEKPBSA-N 1 0 409.574 4.149 50 0 HIAARO Cc1ccc(OCc2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cs2)cc1 ZINC000021836488 558451453 /nfs/dbraw/zinc/45/14/53/558451453.db2.gz AQAXOBNTZJBMJC-UHFFFAOYSA-N 1 0 422.554 4.035 50 0 HIAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2ccc(Br)cc2s1 ZINC000004359660 558456774 /nfs/dbraw/zinc/45/67/74/558456774.db2.gz PENRCLWAKGETBX-UHFFFAOYSA-N 1 0 408.321 4.250 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](C2Cc3ccccc3C2)CC1)c1cccc(F)c1 ZINC000012751428 558459111 /nfs/dbraw/zinc/45/91/11/558459111.db2.gz QCHMWINITRHZIA-UHFFFAOYSA-N 1 0 404.489 4.079 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]Cc3cnn(C)c3C)c(-c3cccc(F)c3)n2)cc1 ZINC000012752986 558459255 /nfs/dbraw/zinc/45/92/55/558459255.db2.gz WLENYWLWNAQXKF-UHFFFAOYSA-N 1 0 405.477 4.019 50 0 HIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000013282094 558528938 /nfs/dbraw/zinc/52/89/38/558528938.db2.gz XXULBLUIXKHKKE-FQEVSTJZSA-N 1 0 411.494 4.047 50 0 HIAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000023144520 558538074 /nfs/dbraw/zinc/53/80/74/558538074.db2.gz JVLZDTIQEXJJHJ-INIZCTEOSA-N 1 0 402.454 4.326 50 0 HIAARO O=C(c1nc2ccccn2c1C[NH+]1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC000013596498 558547406 /nfs/dbraw/zinc/54/74/06/558547406.db2.gz ZUYOTAQRTRANRR-UHFFFAOYSA-N 1 0 402.542 4.025 50 0 HIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000013596730 558547424 /nfs/dbraw/zinc/54/74/24/558547424.db2.gz IKTSDOJSFXENIG-UHFFFAOYSA-N 1 0 403.526 4.408 50 0 HIAARO Cc1cc(C)n(-c2cccc(C[NH2+][C@@H]3CCCN(C4Cc5ccccc5C4)C3)c2)n1 ZINC000023359890 558551659 /nfs/dbraw/zinc/55/16/59/558551659.db2.gz GRHKPRXSFJLDPM-XMMPIXPASA-N 1 0 400.570 4.211 50 0 HIAARO CN(Cc1cccs1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000023581960 558562860 /nfs/dbraw/zinc/56/28/60/558562860.db2.gz HMXSEQVVMYUTOT-UHFFFAOYSA-N 1 0 421.566 4.459 50 0 HIAARO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccc(Cl)cc1 ZINC000013727466 558584909 /nfs/dbraw/zinc/58/49/09/558584909.db2.gz WDSNYLGMMMKERD-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccccc1Cl ZINC000013727468 558584941 /nfs/dbraw/zinc/58/49/41/558584941.db2.gz VFENECRPSNZOMF-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO CCOc1cc(C[NH2+]Cc2cccs2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013855795 558598178 /nfs/dbraw/zinc/59/81/78/558598178.db2.gz DYNQWTQBAGASDM-UHFFFAOYSA-N 1 0 407.499 4.205 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014183458 558629216 /nfs/dbraw/zinc/62/92/16/558629216.db2.gz MKIHNSKIKGENFH-UHFFFAOYSA-N 1 0 409.555 4.037 50 0 HIAARO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014197729 558634411 /nfs/dbraw/zinc/63/44/11/558634411.db2.gz PMQPEYJIQPKKDN-UHFFFAOYSA-N 1 0 405.539 4.209 50 0 HIAARO COc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764581 558649187 /nfs/dbraw/zinc/64/91/87/558649187.db2.gz NBIHFXFSUINSAU-ZEQKJWHPSA-N 1 0 420.553 4.015 50 0 HIAARO CCOc1c(Cl)cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000014250236 558649676 /nfs/dbraw/zinc/64/96/76/558649676.db2.gz BBKUPYMIVYDIAM-UHFFFAOYSA-N 1 0 402.922 4.273 50 0 HIAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+]([C@H]1CCc3ccccc3C1)CC2 ZINC000014532409 558656628 /nfs/dbraw/zinc/65/66/28/558656628.db2.gz OVBHYVRFRCUNKD-QFIPXVFZSA-N 1 0 411.590 4.097 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2c(C)nn(CC(C)C)c2Cl)[NH+]2CCCC2)cc1 ZINC000014701036 558663866 /nfs/dbraw/zinc/66/38/66/558663866.db2.gz YEDVFXMVNGFWNM-IBGZPJMESA-N 1 0 418.969 4.076 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)nc2ccccc21)[NH+]1CCCC1 ZINC000027571041 558675304 /nfs/dbraw/zinc/67/53/04/558675304.db2.gz DDMBEAPZUDZNRC-HXUWFJFHSA-N 1 0 409.917 4.464 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCCC2)cc1 ZINC000027580488 558675730 /nfs/dbraw/zinc/67/57/30/558675730.db2.gz AKMMLLPXYFWNDE-QFIPXVFZSA-N 1 0 416.949 4.461 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027583176 558676295 /nfs/dbraw/zinc/67/62/95/558676295.db2.gz ARFKOGYYBXTZNN-DEOSSOPVSA-N 1 0 410.558 4.424 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027747700 558681692 /nfs/dbraw/zinc/68/16/92/558681692.db2.gz GSTAXMZVRAZYIN-HSZRJFAPSA-N 1 0 410.558 4.325 50 0 HIAARO C[NH+]1CCN([C@@H](CNC(=O)c2cccc3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000027793236 558682494 /nfs/dbraw/zinc/68/24/94/558682494.db2.gz SOFONKKUPINAKC-QHCPKHFHSA-N 1 0 407.945 4.212 50 0 HIAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCCO1 ZINC000014972527 558688161 /nfs/dbraw/zinc/68/81/61/558688161.db2.gz ILXLHNJEVVYJAK-QFIPXVFZSA-N 1 0 419.525 4.328 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2ccc(O)c(OC)c2)cc1 ZINC000014975935 558689251 /nfs/dbraw/zinc/68/92/51/558689251.db2.gz WMZRIUBVDLGIFN-FQEVSTJZSA-N 1 0 407.514 4.398 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C2CC2)on1 ZINC000014976916 558689434 /nfs/dbraw/zinc/68/94/34/558689434.db2.gz AMPLBBKCGGULFK-KRWDZBQOSA-N 1 0 401.938 4.232 50 0 HIAARO Cc1ccccc1CN1CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3)no2)CCC1=O ZINC000014997408 558696627 /nfs/dbraw/zinc/69/66/27/558696627.db2.gz GVKPNTXJUXLEKB-NRFANRHFSA-N 1 0 404.514 4.058 50 0 HIAARO CCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)o1 ZINC000015065041 558708077 /nfs/dbraw/zinc/70/80/77/558708077.db2.gz PQVZZTPHSPXKBF-UHFFFAOYSA-N 1 0 419.525 4.210 50 0 HIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015065517 558708378 /nfs/dbraw/zinc/70/83/78/558708378.db2.gz CNUABROAFJAPBN-SFHVURJKSA-N 1 0 411.933 4.273 50 0 HIAARO C[N@H+](C[C@H](O)COc1cccc(CNCc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071659 558713301 /nfs/dbraw/zinc/71/33/01/558713301.db2.gz PGBQUNUGLIJDOY-FQEVSTJZSA-N 1 0 418.528 4.259 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000015073483 558714284 /nfs/dbraw/zinc/71/42/84/558714284.db2.gz FZIZKFCXPPHUIK-UHFFFAOYSA-N 1 0 424.463 4.099 50 0 HIAARO COCCNC(=O)c1ccc(OC2CC[NH+](C3CCCCCC3)CC2)c(Cl)c1 ZINC000015074742 558715278 /nfs/dbraw/zinc/71/52/78/558715278.db2.gz XDYYTKMBFZVCJD-UHFFFAOYSA-N 1 0 408.970 4.282 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1OC ZINC000030900207 558744464 /nfs/dbraw/zinc/74/44/64/558744464.db2.gz UCIDCTXSFOGWQM-UHFFFAOYSA-N 1 0 420.351 4.141 50 0 HIAARO CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)s2)c1 ZINC000072301617 558751945 /nfs/dbraw/zinc/75/19/45/558751945.db2.gz FLZJUBUOACYFDY-KRWDZBQOSA-N 1 0 413.587 4.192 50 0 HIAARO CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000011084041 558754016 /nfs/dbraw/zinc/75/40/16/558754016.db2.gz WRECMHSYIMMJPU-UHFFFAOYSA-N 1 0 402.542 4.190 50 0 HIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCC2)o1 ZINC000015860171 558757873 /nfs/dbraw/zinc/75/78/73/558757873.db2.gz MRAWUTVKFBHCIA-GOSISDBHSA-N 1 0 421.335 4.073 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCC(C)CC3)no2)cc1 ZINC000015860528 558758425 /nfs/dbraw/zinc/75/84/25/558758425.db2.gz LWUUKLTUFSUKTI-NRFANRHFSA-N 1 0 423.513 4.455 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258010 558762908 /nfs/dbraw/zinc/76/29/08/558762908.db2.gz KJKOYQZCANBJJW-UHFFFAOYSA-N 1 0 401.514 4.103 50 0 HIAARO C[NH+](C)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000004585329 558776005 /nfs/dbraw/zinc/77/60/05/558776005.db2.gz FKKZQSXQNWADSR-UHFFFAOYSA-N 1 0 403.935 4.313 50 0 HIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000016339218 558786868 /nfs/dbraw/zinc/78/68/68/558786868.db2.gz CJDIPKKPJXKBCL-FQEVSTJZSA-N 1 0 417.347 4.253 50 0 HIAARO O[C@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000016764214 558806299 /nfs/dbraw/zinc/80/62/99/558806299.db2.gz IWXIDXVXNXUSHK-FQEVSTJZSA-N 1 0 404.303 4.239 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1)NCc1ccccc1F ZINC000019228548 558853171 /nfs/dbraw/zinc/85/31/71/558853171.db2.gz PHVRCUWRYUBLOS-HXUWFJFHSA-N 1 0 420.532 4.320 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCc1cccc(F)c1 ZINC000019229260 558853507 /nfs/dbraw/zinc/85/35/07/558853507.db2.gz VXQDKWLDEPDSDF-UHFFFAOYSA-N 1 0 408.521 4.130 50 0 HIAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000019229563 558853600 /nfs/dbraw/zinc/85/36/00/558853600.db2.gz SMKZQBADLVOVJW-MHZLTWQESA-N 1 0 420.645 4.499 50 0 HIAARO CSc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000055225453 558876524 /nfs/dbraw/zinc/87/65/24/558876524.db2.gz YULFFNALFQOCKB-NRFANRHFSA-N 1 0 410.587 4.227 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252569 558877624 /nfs/dbraw/zinc/87/76/24/558877624.db2.gz REJRHQZAWJHBQQ-FQEVSTJZSA-N 1 0 400.538 4.229 50 0 HIAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2ccccc2)sc2c1CCCCC2 ZINC000055439967 558881349 /nfs/dbraw/zinc/88/13/49/558881349.db2.gz DPILAFSUGRBIOW-OAHLLOKOSA-N 1 0 400.544 4.483 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(C)c(C)c4)c(C)c32)CC1 ZINC000033048431 558885831 /nfs/dbraw/zinc/88/58/31/558885831.db2.gz LUAIEKYJHNJYKM-UHFFFAOYSA-N 1 0 423.586 4.401 50 0 HIAARO CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CC[NH+](CC)CC ZINC000004623967 558887595 /nfs/dbraw/zinc/88/75/95/558887595.db2.gz PSGHTOAIUOXCNS-UHFFFAOYSA-N 1 0 416.591 4.145 50 0 HIAARO Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000058210517 558912162 /nfs/dbraw/zinc/91/21/62/558912162.db2.gz GPHHBBXCGVUBQF-KRWDZBQOSA-N 1 0 414.481 4.072 50 0 HIAARO O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058381695 558923099 /nfs/dbraw/zinc/92/30/99/558923099.db2.gz UQCMLBGWPKXULB-FQEVSTJZSA-N 1 0 411.977 4.195 50 0 HIAARO O=c1cc(CN2CCC([NH+]3CCCCC3)CC2)c2ccc(Br)cc2o1 ZINC000058413681 558925241 /nfs/dbraw/zinc/92/52/41/558925241.db2.gz HDLJKVMFPFLIEJ-UHFFFAOYSA-N 1 0 405.336 4.006 50 0 HIAARO Cc1ccc(-c2cc(Nc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)ncn2)cc1 ZINC000033261245 558928388 /nfs/dbraw/zinc/92/83/88/558928388.db2.gz ARYXLOBNFVQDBG-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)cc1 ZINC000065362924 558973991 /nfs/dbraw/zinc/97/39/91/558973991.db2.gz KLVGGNXYKOZNNB-UHFFFAOYSA-N 1 0 408.550 4.192 50 0 HIAARO Cn1c(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCC[C@H](O)C2)cc2ccccc21 ZINC000065435679 558977580 /nfs/dbraw/zinc/97/75/80/558977580.db2.gz STAHSHDVPQIMSY-NRFANRHFSA-N 1 0 400.526 4.166 50 0 HIAARO COCC[N@@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccc(OC)c(F)c2)C1 ZINC000065506950 558978222 /nfs/dbraw/zinc/97/82/22/558978222.db2.gz YXHQXXRKWTZXPP-GOSISDBHSA-N 1 0 409.505 4.333 50 0 HIAARO C[N@@H+]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429334 558979078 /nfs/dbraw/zinc/97/90/78/558979078.db2.gz OXBVMEWAHYXXPO-UHFFFAOYSA-N 1 0 400.526 4.482 50 0 HIAARO O=C1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)CCN1 ZINC000072469074 558983291 /nfs/dbraw/zinc/98/32/91/558983291.db2.gz WWQNFWRFCXPNDX-UHFFFAOYSA-N 1 0 405.929 4.366 50 0 HIAARO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000067613040 558989086 /nfs/dbraw/zinc/98/90/86/558989086.db2.gz OULPYHXCUHTWAJ-UHFFFAOYSA-N 1 0 422.504 4.055 50 0 HIAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](CNC(=O)c4ccc(F)cc4)C3)c2)n1 ZINC000076915969 558998067 /nfs/dbraw/zinc/99/80/67/558998067.db2.gz SSJIGCIYPKPPOK-OAQYLSRUSA-N 1 0 420.532 4.270 50 0 HIAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000095502271 559082600 /nfs/dbraw/zinc/08/26/00/559082600.db2.gz MPDCGAGCPVFPCS-OAQYLSRUSA-N 1 0 403.526 4.368 50 0 HIAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000095502270 559082640 /nfs/dbraw/zinc/08/26/40/559082640.db2.gz MPDCGAGCPVFPCS-NRFANRHFSA-N 1 0 403.526 4.368 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@@H]2CC23CC3)CC1 ZINC000095518766 559084964 /nfs/dbraw/zinc/08/49/64/559084964.db2.gz KHUKTMWZYIKXGW-DEOSSOPVSA-N 1 0 403.570 4.431 50 0 HIAARO COc1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000096317092 559109744 /nfs/dbraw/zinc/10/97/44/559109744.db2.gz XRVSUJYXGYNEOF-UHFFFAOYSA-N 1 0 415.537 4.041 50 0 HIAARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000037553932 559176287 /nfs/dbraw/zinc/17/62/87/559176287.db2.gz QNMORJPEYWCIQG-UHFFFAOYSA-N 1 0 418.516 4.234 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000113401000 559180734 /nfs/dbraw/zinc/18/07/34/559180734.db2.gz UMCGXGQCSYOOLO-UHFFFAOYSA-N 1 0 414.509 4.221 50 0 HIAARO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198650 559189866 /nfs/dbraw/zinc/18/98/66/559189866.db2.gz FJWSWFYQJWQWGW-SODSZRCFSA-N 1 0 403.570 4.453 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000004863079 559193307 /nfs/dbraw/zinc/19/33/07/559193307.db2.gz OBUYOBUCXVACGO-HNNXBMFYSA-N 1 0 418.360 4.476 50 0 HIAARO CC[NH+](CC)CCNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901502 559199876 /nfs/dbraw/zinc/19/98/76/559199876.db2.gz TUBJXKBDAVRNIU-UHFFFAOYSA-N 1 0 405.995 4.317 50 0 HIAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004918835 559204621 /nfs/dbraw/zinc/20/46/21/559204621.db2.gz NFPXKEWYGWHNLX-QHCPKHFHSA-N 1 0 400.563 4.007 50 0 HIAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004918826 559204663 /nfs/dbraw/zinc/20/46/63/559204663.db2.gz NFPXKEWYGWHNLX-HSZRJFAPSA-N 1 0 400.563 4.007 50 0 HIAARO CCCC[N@H+](CCCNC(=O)/C=C1\Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000004931818 559209792 /nfs/dbraw/zinc/20/97/92/559209792.db2.gz SJYVXWKJSCBKKL-XLNRJJMWSA-N 1 0 423.582 4.423 50 0 HIAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939193 559211688 /nfs/dbraw/zinc/21/16/88/559211688.db2.gz ZDJMLRLONVLBBO-UHFFFAOYSA-N 1 0 413.587 4.478 50 0 HIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)sc3c2c1 ZINC000004939373 559211820 /nfs/dbraw/zinc/21/18/20/559211820.db2.gz MEBPZAHNEDCGEF-HZPDHXFCSA-N 1 0 412.555 4.414 50 0 HIAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000005115345 559247316 /nfs/dbraw/zinc/24/73/16/559247316.db2.gz ICTXAJBCWQUVRB-UHFFFAOYSA-N 1 0 410.362 4.329 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1ccc(OC)cc1)c1nc2c(cccc2OC)s1 ZINC000005121961 559248579 /nfs/dbraw/zinc/24/85/79/559248579.db2.gz OELUJWHVUZSVIP-UHFFFAOYSA-N 1 0 413.543 4.302 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005122071 559248612 /nfs/dbraw/zinc/24/86/12/559248612.db2.gz QWPJXXVXFQOBBR-UHFFFAOYSA-N 1 0 417.556 4.118 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(F)c2)N1Cc1cccc(OC(F)(F)F)c1 ZINC000011783564 559259203 /nfs/dbraw/zinc/25/92/03/559259203.db2.gz UDEVEXCDJJEGGI-GOSISDBHSA-N 1 0 410.411 4.395 50 0 HIAARO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033889650 559289037 /nfs/dbraw/zinc/28/90/37/559289037.db2.gz XYHSURUPEXRGRV-UOAUAQBLSA-N 1 0 406.998 4.054 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)nc21 ZINC000005256913 560550865 /nfs/dbraw/zinc/55/08/65/560550865.db2.gz YUHPWGMBTKQUNE-UHFFFAOYSA-N 1 0 403.935 4.096 50 0 HIAARO CC[NH+](CC)CCCn1cnc2c(c1=N)[C@@H](c1ccc(C)cc1)c1ccc(O)cc1O2 ZINC000005348897 560571122 /nfs/dbraw/zinc/57/11/22/560571122.db2.gz YRMPAPVGMUVPGA-QFIPXVFZSA-N 1 0 418.541 4.394 50 0 HIAARO Cc1ccc(Cl)cc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1ccco1 ZINC000101214246 560790002 /nfs/dbraw/zinc/79/00/02/560790002.db2.gz OWVKBIFKILQQBD-UHFFFAOYSA-N 1 0 421.010 4.078 50 0 HIAARO Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCC[NH+](C(C)C)C(C)C)C2=O)cc1 ZINC000102305272 560809204 /nfs/dbraw/zinc/80/92/04/560809204.db2.gz JOQKQTFMDLSOKI-XQNSMLJCSA-N 1 0 405.542 4.231 50 0 HIAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984405 560859177 /nfs/dbraw/zinc/85/91/77/560859177.db2.gz HJZYRRJFNFLEPM-XZOQPEGZSA-N 1 0 418.512 4.425 50 0 HIAARO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052500 560895012 /nfs/dbraw/zinc/89/50/12/560895012.db2.gz ZEBNWDZUHSRAOK-QZTJIDSGSA-N 1 0 415.603 4.423 50 0 HIAARO CCOc1cc(C[NH2+]CCOCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435672 568416303 /nfs/dbraw/zinc/41/63/03/568416303.db2.gz UQCKKQWJXAFZCT-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO COC(=O)CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000048369006 568442280 /nfs/dbraw/zinc/44/22/80/568442280.db2.gz IQRYEIOUCYLLKS-UHFFFAOYSA-N 1 0 406.832 4.105 50 0 HIAARO COc1cccc(C(=O)N(CC[NH+](C)C)c2nc3cc(C)c(C)cc3s2)c1OC ZINC000005152631 568454481 /nfs/dbraw/zinc/45/44/81/568454481.db2.gz YZJCEBWGSQMHEN-UHFFFAOYSA-N 1 0 413.543 4.139 50 0 HIAARO OCCN1CC[NH+](CC/C=C2/c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022588286 568487190 /nfs/dbraw/zinc/48/71/90/568487190.db2.gz JLEXAIZTZXJDTI-MPUCSWFWSA-N 1 0 415.002 4.377 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261318 568512996 /nfs/dbraw/zinc/51/29/96/568512996.db2.gz DKAJDNWWKUQMNB-UHFFFAOYSA-N 1 0 407.493 4.098 50 0 HIAARO COc1ccccc1/C=C1/CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccccc1OC ZINC000038163299 568569943 /nfs/dbraw/zinc/56/99/43/568569943.db2.gz SRWZYMHWNVOURR-VOJYKXCQSA-N 1 0 400.482 4.485 50 0 HIAARO CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2C[NH2+]Cc2cccs2)CC1 ZINC000014980580 568581221 /nfs/dbraw/zinc/58/12/21/568581221.db2.gz OBLBLCZFSDSCFX-UHFFFAOYSA-N 1 0 424.570 4.173 50 0 HIAARO CCc1ccc(NC(=S)N(CCCN2CC[NH+](CC)CC2)Cc2ccco2)cc1 ZINC000020107736 568588122 /nfs/dbraw/zinc/58/81/22/568588122.db2.gz ZYCQCRJXEGOMLV-UHFFFAOYSA-N 1 0 414.619 4.069 50 0 HIAARO C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000095365126 568602111 /nfs/dbraw/zinc/60/21/11/568602111.db2.gz UOSYTTUNZRQZDV-IBGZPJMESA-N 1 0 420.326 4.071 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(O)cc1 ZINC000095459852 568620070 /nfs/dbraw/zinc/62/00/70/568620070.db2.gz YHMVWKHKFFSNCZ-JOCHJYFZSA-N 1 0 420.557 4.161 50 0 HIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000095461570 568620889 /nfs/dbraw/zinc/62/08/89/568620889.db2.gz JTRPZPKVTGCZQP-APWZRJJASA-N 1 0 416.484 4.372 50 0 HIAARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000095467070 568624667 /nfs/dbraw/zinc/62/46/67/568624667.db2.gz BIDAMNRREQSATP-CQSZACIVSA-N 1 0 418.925 4.379 50 0 HIAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000225479157 568641581 /nfs/dbraw/zinc/64/15/81/568641581.db2.gz GOSQBDSMOJFWJP-IBGZPJMESA-N 1 0 415.603 4.037 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2cccc3c2SCCC3=O)CC1 ZINC000021103201 568666611 /nfs/dbraw/zinc/66/66/11/568666611.db2.gz JANCOHPYUYHXMT-UHFFFAOYSA-N 1 0 408.567 4.316 50 0 HIAARO Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c(C)c1 ZINC000021172006 568676417 /nfs/dbraw/zinc/67/64/17/568676417.db2.gz FUEHVSINHQWRCQ-FQEVSTJZSA-N 1 0 404.558 4.434 50 0 HIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000096003171 568681879 /nfs/dbraw/zinc/68/18/79/568681879.db2.gz USTKVMYEDJNJNR-YADHBBJMSA-N 1 0 423.557 4.231 50 0 HIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000096003168 568681882 /nfs/dbraw/zinc/68/18/82/568681882.db2.gz USTKVMYEDJNJNR-FCHUYYIVSA-N 1 0 423.557 4.231 50 0 HIAARO CCSc1ccccc1N1CC[NH+](CC[C@H](O)c2ccc(OC)c(OC)c2)CC1 ZINC000096026829 568686824 /nfs/dbraw/zinc/68/68/24/568686824.db2.gz HTSCLWIPBMDHLH-FQEVSTJZSA-N 1 0 416.587 4.062 50 0 HIAARO O=C(Cc1cnc(-c2ccccc2F)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012407129 568711310 /nfs/dbraw/zinc/71/13/10/568711310.db2.gz GKWYOZQHCXSRED-UHFFFAOYSA-N 1 0 409.530 4.273 50 0 HIAARO COCCC[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000247898199 568746187 /nfs/dbraw/zinc/74/61/87/568746187.db2.gz VMBZZFPWUZMLOP-UHFFFAOYSA-N 1 0 405.329 4.426 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000248163859 568747843 /nfs/dbraw/zinc/74/78/43/568747843.db2.gz NASLKRAWQLVIIA-QGZVFWFLSA-N 1 0 405.329 4.161 50 0 HIAARO CCOCCC[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248289708 568748251 /nfs/dbraw/zinc/74/82/51/568748251.db2.gz KBJXTONOFTZYCF-UHFFFAOYSA-N 1 0 402.901 4.302 50 0 HIAARO CC1=C(C(=O)Nc2ccc(Cl)cc2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868297 568755832 /nfs/dbraw/zinc/75/58/32/568755832.db2.gz XESAMUUCNFPQEO-UHFFFAOYSA-N 1 0 410.901 4.187 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757504 568783131 /nfs/dbraw/zinc/78/31/31/568783131.db2.gz CFBVYNNDKVJNOH-ZNMIVQPWSA-N 1 0 406.933 4.069 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491655 568820222 /nfs/dbraw/zinc/82/02/22/568820222.db2.gz BIESIXOYFYFWOF-OAQYLSRUSA-N 1 0 409.965 4.221 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000057380646 568830472 /nfs/dbraw/zinc/83/04/72/568830472.db2.gz RBLGVXLVTTYAOD-RBUKOAKNSA-N 1 0 403.526 4.251 50 0 HIAARO O=C(NC1CC[NH+](Cn2c3ccccc3nc2SC(F)F)CC1)c1ccccc1 ZINC000012525417 568842702 /nfs/dbraw/zinc/84/27/02/568842702.db2.gz ARUAYXJWAWERNF-UHFFFAOYSA-N 1 0 416.497 4.203 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000057488149 568843484 /nfs/dbraw/zinc/84/34/84/568843484.db2.gz KKYXKVSFRCMMRQ-JTSKRJEESA-N 1 0 403.482 4.317 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000057488154 568843516 /nfs/dbraw/zinc/84/35/16/568843516.db2.gz KKYXKVSFRCMMRQ-HTAPYJJXSA-N 1 0 403.482 4.317 50 0 HIAARO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057542948 568852618 /nfs/dbraw/zinc/85/26/18/568852618.db2.gz AUOGHDIZOYEQSU-UHFFFAOYSA-N 1 0 412.578 4.463 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@@H](C)c2nc3cc(C)ccc3[nH]2)c1 ZINC000299755860 568872735 /nfs/dbraw/zinc/87/27/35/568872735.db2.gz DTZVPNPOJCTEJM-HKUYNNGSSA-N 1 0 406.530 4.112 50 0 HIAARO CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000003336504 568882836 /nfs/dbraw/zinc/88/28/36/568882836.db2.gz PSNJGFLDOSHKPU-PKTZIBPZSA-N 1 0 423.601 4.158 50 0 HIAARO COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000504781953 568899037 /nfs/dbraw/zinc/89/90/37/568899037.db2.gz MYLQMGNWRSZRBE-ZKMPZPQNSA-N 1 0 424.541 4.011 50 0 HIAARO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C[NH2+]C(C)(C)CC ZINC000012745135 568931023 /nfs/dbraw/zinc/93/10/23/568931023.db2.gz OIHKXQYBXPWYQR-UHFFFAOYSA-N 1 0 404.532 4.317 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000007990062 568966657 /nfs/dbraw/zinc/96/66/57/568966657.db2.gz WJMIEHQWRNIPFV-FQEVSTJZSA-N 1 0 420.912 4.210 50 0 HIAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@H+](Cc3ccco3)[C@@H](C)CC)c21 ZINC000015727454 568978386 /nfs/dbraw/zinc/97/83/86/568978386.db2.gz YVXTYUNEAPOEEK-AWEZNQCLSA-N 1 0 414.506 4.322 50 0 HIAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000015731264 568981911 /nfs/dbraw/zinc/98/19/11/568981911.db2.gz PAOVRQUOJVUFTN-UHFFFAOYSA-N 1 0 419.573 4.276 50 0 HIAARO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000008199999 568982202 /nfs/dbraw/zinc/98/22/02/568982202.db2.gz FBLJQRRQYDRCHU-LBPRGKRZSA-N 1 0 402.741 4.227 50 0 HIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000008229577 568983379 /nfs/dbraw/zinc/98/33/79/568983379.db2.gz JWLTZBTTXZODPX-QHCPKHFHSA-N 1 0 412.493 4.457 50 0 HIAARO CCOC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000008310747 568988773 /nfs/dbraw/zinc/98/87/73/568988773.db2.gz IDZRWPPIZOSDDF-UHFFFAOYSA-N 1 0 419.525 4.323 50 0 HIAARO O[C@@H](COc1ccc(Cl)cc1Cl)Cn1cc[n+](Cc2ccccc2Cl)c1 ZINC000012848693 569010298 /nfs/dbraw/zinc/01/02/98/569010298.db2.gz BANQTZLERWYOFU-MRXNPFEDSA-N 1 0 412.724 4.224 50 0 HIAARO CCOc1cc(CN(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F ZINC000026454593 569031884 /nfs/dbraw/zinc/03/18/84/569031884.db2.gz RIAHNEGSYMPMJL-AWEZNQCLSA-N 1 0 410.436 4.135 50 0 HIAARO COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCC([NH+]2CCCCC2)CC1 ZINC000035447425 569037375 /nfs/dbraw/zinc/03/73/75/569037375.db2.gz ANSITIKPQCFKTC-UHFFFAOYSA-N 1 0 403.910 4.236 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2cnn(-c3cccc(C)c3)c2C)[NH+]2CCCC2)c1 ZINC000013003994 569049443 /nfs/dbraw/zinc/04/94/43/569049443.db2.gz OHHCZORQXMHSBB-XMMPIXPASA-N 1 0 418.541 4.065 50 0 HIAARO C[NH+](C)CC(C)(C)CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000102305117 569050229 /nfs/dbraw/zinc/05/02/29/569050229.db2.gz MSLLABUIJHJACD-QGOAFFKASA-N 1 0 411.933 4.045 50 0 HIAARO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2C(=O)OC(C)(C)C)CCCC1 ZINC000241590484 569054816 /nfs/dbraw/zinc/05/48/16/569054816.db2.gz PFFSEWZJZWHYGJ-PWRODBHTSA-N 1 0 424.626 4.368 50 0 HIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)C1CC1 ZINC000035840506 569062346 /nfs/dbraw/zinc/06/23/46/569062346.db2.gz PTETVIUBFVCMPW-DEOSSOPVSA-N 1 0 408.517 4.388 50 0 HIAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC[NH+](C)C)occ3C(C)(C)C ZINC000006660944 569085138 /nfs/dbraw/zinc/08/51/38/569085138.db2.gz OWTDYFPYQWXICK-UHFFFAOYSA-N 1 0 412.530 4.146 50 0 HIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036096140 569089708 /nfs/dbraw/zinc/08/97/08/569089708.db2.gz AJBCWJOBJFYYIJ-NRFANRHFSA-N 1 0 401.547 4.300 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036095756 569090061 /nfs/dbraw/zinc/09/00/61/569090061.db2.gz QSMPTBAAZGPIAG-JOCHJYFZSA-N 1 0 407.510 4.146 50 0 HIAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@@H](O)Cc3ccccc3)n2)cc1 ZINC000036147364 569098523 /nfs/dbraw/zinc/09/85/23/569098523.db2.gz DEDDODFMWLIOAP-QFIPXVFZSA-N 1 0 417.509 4.286 50 0 HIAARO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036344116 569142517 /nfs/dbraw/zinc/14/25/17/569142517.db2.gz SNMOGFPLMNUZEW-DEOSSOPVSA-N 1 0 405.542 4.476 50 0 HIAARO CCOc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344075 569142535 /nfs/dbraw/zinc/14/25/35/569142535.db2.gz CVHWVXIHKCHFGT-XMMPIXPASA-N 1 0 405.542 4.495 50 0 HIAARO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036344117 569142563 /nfs/dbraw/zinc/14/25/63/569142563.db2.gz SNMOGFPLMNUZEW-XMMPIXPASA-N 1 0 405.542 4.476 50 0 HIAARO CC(C)C[NH+]1CCN(C(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCCCC2)CC1 ZINC000065027503 569156638 /nfs/dbraw/zinc/15/66/38/569156638.db2.gz WDRMTBYHRQCHFC-UHFFFAOYSA-N 1 0 413.606 4.283 50 0 HIAARO CCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCCCCC4)cs3)CC2)cc1 ZINC000065200671 569193858 /nfs/dbraw/zinc/19/38/58/569193858.db2.gz UASRGKFXFWDXKP-UHFFFAOYSA-N 1 0 412.603 4.044 50 0 HIAARO Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065230284 569200615 /nfs/dbraw/zinc/20/06/15/569200615.db2.gz PZQVBTPBZOIERW-UHFFFAOYSA-N 1 0 415.603 4.118 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000007263639 569230774 /nfs/dbraw/zinc/23/07/74/569230774.db2.gz KQSWZAPADZILSV-QFIPXVFZSA-N 1 0 422.500 4.436 50 0 HIAARO O=C(NC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1)c1ccccc1F ZINC000065552807 569235258 /nfs/dbraw/zinc/23/52/58/569235258.db2.gz BXHZAOCFFKDLCF-UHFFFAOYSA-N 1 0 410.411 4.161 50 0 HIAARO CCn1nc(C)cc1C(=O)N(CCC[NH+](C)C)c1nc2ccc(Cl)cc2s1 ZINC000013699433 569257303 /nfs/dbraw/zinc/25/73/03/569257303.db2.gz QOVVTNOZHMHFJX-UHFFFAOYSA-N 1 0 405.955 4.073 50 0 HIAARO Cc1nc(-c2cccc(C(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)no1 ZINC000089718489 569263098 /nfs/dbraw/zinc/26/30/98/569263098.db2.gz AGCINDKGGXKNOT-PXNSSMCTSA-N 1 0 404.514 4.076 50 0 HIAARO O=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016850240 569265777 /nfs/dbraw/zinc/26/57/77/569265777.db2.gz UIAARDMPVKYGAR-UHFFFAOYSA-N 1 0 424.545 4.349 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000004058230 569279593 /nfs/dbraw/zinc/27/95/93/569279593.db2.gz GMHDMQBFGWPQNB-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO COc1ccccc1OCCC(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000252517782 569292260 /nfs/dbraw/zinc/29/22/60/569292260.db2.gz RCHNPYXQXLBOJO-FZWXVRBQSA-N 1 0 410.558 4.079 50 0 HIAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000037554530 569306343 /nfs/dbraw/zinc/30/63/43/569306343.db2.gz HQZUDLFVNMCQOH-UHFFFAOYSA-N 1 0 406.574 4.475 50 0 HIAARO CC[NH+](CC)CCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002219127 569312123 /nfs/dbraw/zinc/31/21/23/569312123.db2.gz PTYKIECYKWRJAP-UHFFFAOYSA-N 1 0 411.550 4.499 50 0 HIAARO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253398124 569365379 /nfs/dbraw/zinc/36/53/79/569365379.db2.gz BYGRKFHIDXVJAJ-QLBRKBSLSA-N 1 0 410.602 4.425 50 0 HIAARO Cc1noc(C)c1COc1ccccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000027594675 569375641 /nfs/dbraw/zinc/37/56/41/569375641.db2.gz QIJGYQLKEYWSAQ-NRFANRHFSA-N 1 0 411.477 4.042 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F ZINC000002408906 569396460 /nfs/dbraw/zinc/39/64/60/569396460.db2.gz CRKJBAKUSFQXCY-OAQYLSRUSA-N 1 0 408.473 4.209 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000002420012 569397755 /nfs/dbraw/zinc/39/77/55/569397755.db2.gz ZHSXRFPRBWIRBY-OAQYLSRUSA-N 1 0 408.473 4.209 50 0 HIAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007941539 569401802 /nfs/dbraw/zinc/40/18/02/569401802.db2.gz CGFSUFMFQMKODT-UHFFFAOYSA-N 1 0 422.504 4.111 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1OC ZINC000019732618 569429435 /nfs/dbraw/zinc/42/94/35/569429435.db2.gz GLUOBVSCVUBJOQ-IBGZPJMESA-N 1 0 417.619 4.423 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(CC[NH+](C)C)C3=O ZINC000008549527 571077913 /nfs/dbraw/zinc/07/79/13/571077913.db2.gz DSJWBGGUSVZWPY-HXUWFJFHSA-N 1 0 410.901 4.170 50 0 HIAARO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[N@@H+](C)C1CCN(C)CC1 ZINC000008717247 571105410 /nfs/dbraw/zinc/10/54/10/571105410.db2.gz TZSALOZOWPFONE-UHFFFAOYSA-N 1 0 405.542 4.354 50 0 HIAARO CSc1nc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccnc3)cc2s1 ZINC000069350754 571221603 /nfs/dbraw/zinc/22/16/03/571221603.db2.gz XNKYNRAUINQDQJ-UHFFFAOYSA-N 1 0 401.561 4.009 50 0 HIAARO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245276330 571222143 /nfs/dbraw/zinc/22/21/43/571222143.db2.gz SUXNLXCDPSSYAD-NHCUHLMSSA-N 1 0 406.979 4.452 50 0 HIAARO C[C@@H]1CCCN(c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)C1 ZINC000245327983 571225321 /nfs/dbraw/zinc/22/53/21/571225321.db2.gz MHNOAWVWPPNNEH-WOJBJXKFSA-N 1 0 408.590 4.465 50 0 HIAARO Cc1noc(C)c1COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009460135 571260433 /nfs/dbraw/zinc/26/04/33/571260433.db2.gz CTDZHDFWNJAGGT-OAQYLSRUSA-N 1 0 409.486 4.030 50 0 HIAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C)cc1OC ZINC000009942262 571291128 /nfs/dbraw/zinc/29/11/28/571291128.db2.gz FIOKCOBZRAUQIX-UHFFFAOYSA-N 1 0 422.529 4.219 50 0 HIAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C)c1 ZINC000009942293 571291176 /nfs/dbraw/zinc/29/11/76/571291176.db2.gz QCDXVKWOPFNWLT-UHFFFAOYSA-N 1 0 406.530 4.275 50 0 HIAARO COc1cccc(OC)c1C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010330557 571300551 /nfs/dbraw/zinc/30/05/51/571300551.db2.gz GMEBUEYAHGAWNG-OAQYLSRUSA-N 1 0 404.510 4.424 50 0 HIAARO Cc1sc2nc(-c3cccs3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC000012817380 721918555 /nfs/dbraw/zinc/91/85/55/721918555.db2.gz HUHQKBKKPFFKKO-INIZCTEOSA-N 1 0 414.600 4.338 50 0 HIAARO CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NCc2ccco2)cc1 ZINC000003372436 845014342 /nfs/dbraw/zinc/01/43/42/845014342.db2.gz PDNXZPAAYCFCPQ-UHFFFAOYSA-O 1 0 414.938 4.288 50 0 HIAARO C[NH+]1CCN(c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)CC1 ZINC000005028917 845077732 /nfs/dbraw/zinc/07/77/32/845077732.db2.gz CBPXEWLTLBGFHU-UHFFFAOYSA-N 1 0 409.331 4.325 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1Cl ZINC000011661389 845823110 /nfs/dbraw/zinc/82/31/10/845823110.db2.gz CGTIOFLRJCELMF-HNNXBMFYSA-N 1 0 406.910 4.065 50 0 HIAARO CN(C(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1)[C@H]1CCOC1 ZINC000011816576 845836464 /nfs/dbraw/zinc/83/64/64/845836464.db2.gz FDHLAAMMGUWWQC-KRWDZBQOSA-N 1 0 408.970 4.090 50 0 HIAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000011946800 845842926 /nfs/dbraw/zinc/84/29/26/845842926.db2.gz NNBOWLVYAZHNNP-UHFFFAOYSA-N 1 0 411.542 4.447 50 0 HIAARO CCCn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c(C)n1 ZINC000011950121 845843118 /nfs/dbraw/zinc/84/31/18/845843118.db2.gz SWIXBWMPWDOCQB-HSZRJFAPSA-N 1 0 402.533 4.368 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000012054505 845851287 /nfs/dbraw/zinc/85/12/87/845851287.db2.gz IBJQXCQONZFOEA-UHFFFAOYSA-N 1 0 400.544 4.036 50 0 HIAARO COc1ccc(NC(=O)c2cc(C[NH2+]Cc3ccccc3)cc(NC(C)=O)c2)cc1 ZINC000012100387 845854318 /nfs/dbraw/zinc/85/43/18/845854318.db2.gz SMJXIMQXZWJKGX-UHFFFAOYSA-N 1 0 403.482 4.196 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc4ccccc4c3)CC2)O1)c1ccco1 ZINC000012159149 845857141 /nfs/dbraw/zinc/85/71/41/845857141.db2.gz OROFLRWDOXNHHC-JOCHJYFZSA-N 1 0 404.510 4.376 50 0 HIAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012210699 845859790 /nfs/dbraw/zinc/85/97/90/845859790.db2.gz JAGOQPOBORLHKX-JOCHJYFZSA-N 1 0 417.553 4.138 50 0 HIAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012716203 845885239 /nfs/dbraw/zinc/88/52/39/845885239.db2.gz ACEBDVMGZIEHJD-NRFANRHFSA-N 1 0 413.525 4.419 50 0 HIAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014531560 845956614 /nfs/dbraw/zinc/95/66/14/845956614.db2.gz YFIWTWAIMSIIBB-FCHUYYIVSA-N 1 0 424.560 4.444 50 0 HIAARO CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cc1 ZINC000014745939 845976507 /nfs/dbraw/zinc/97/65/07/845976507.db2.gz VETKLZIKPCHORG-UHFFFAOYSA-N 1 0 417.619 4.462 50 0 HIAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC000014878791 845989514 /nfs/dbraw/zinc/98/95/14/845989514.db2.gz KXMNLYGUFMTDFZ-XMMPIXPASA-N 1 0 418.581 4.153 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000014882627 845989683 /nfs/dbraw/zinc/98/96/83/845989683.db2.gz WMMSTZBOIXIDCH-QGZVFWFLSA-N 1 0 413.521 4.249 50 0 HIAARO COc1cccc2c1OCCC[N@@H+]([C@H]1CCC(=O)N(Cc3cccc(C)c3)CC1)C2 ZINC000014993084 845996913 /nfs/dbraw/zinc/99/69/13/845996913.db2.gz MXAFASFPWHEKOP-QFIPXVFZSA-N 1 0 408.542 4.169 50 0 HIAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C1CC[NH+](C)CC1)CC2 ZINC000016672215 846196432 /nfs/dbraw/zinc/19/64/32/846196432.db2.gz FKPOPDKBWPCXCZ-HSZRJFAPSA-N 1 0 400.950 4.399 50 0 HIAARO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000019334601 846362953 /nfs/dbraw/zinc/36/29/53/846362953.db2.gz NSXDJHIHWXUXJL-VWLOTQADSA-N 1 0 420.601 4.121 50 0 HIAARO CC(=O)Nc1ccc2nc(CN3CCC[C@@H]([N@@H+]4CCc5ccccc5C4)C3)ccc2c1 ZINC000019853034 846374088 /nfs/dbraw/zinc/37/40/88/846374088.db2.gz FYXMZDNHWMCUHD-RUZDIDTESA-N 1 0 414.553 4.216 50 0 HIAARO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3cccc4cccnc43)C1)CC2 ZINC000020542339 846385111 /nfs/dbraw/zinc/38/51/11/846385111.db2.gz WEZNTJKRKHADMQ-HSZRJFAPSA-N 1 0 417.553 4.275 50 0 HIAARO C[N@H+](C1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000020914608 846395053 /nfs/dbraw/zinc/39/50/53/846395053.db2.gz SVQNZGNDCLMEGY-SANMLTNESA-N 1 0 406.618 4.075 50 0 HIAARO COc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989074 /nfs/dbraw/zinc/98/90/74/849989074.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 1 0 402.966 4.441 50 0 HIAARO CC1CCN(C(=O)c2ccccc2OC[C@H]2CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000169775428 853662703 /nfs/dbraw/zinc/66/27/03/853662703.db2.gz DTYKLFYEIKOQDI-NRFANRHFSA-N 1 0 407.558 4.245 50 0 HIAARO CC(C)CC(=O)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776690 853663560 /nfs/dbraw/zinc/66/35/60/853663560.db2.gz QJJONYPOAOLWLA-QFIPXVFZSA-N 1 0 402.554 4.376 50 0 HIAARO Cc1cc(C)n(CC(=O)N2CCC([N@@H+]3CC4(CCCCC4)[C@H]3c3ccccc3)CC2)n1 ZINC000169791400 853664881 /nfs/dbraw/zinc/66/48/81/853664881.db2.gz CJQXAHXNDCAIIH-RUZDIDTESA-N 1 0 420.601 4.498 50 0 HIAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc(CCOCc4ccccc4)no3)C2)cc1F ZINC000575317029 948644532 /nfs/dbraw/zinc/64/45/32/948644532.db2.gz OMFAIBGZTKZADR-LJQANCHMSA-N 1 0 413.468 4.487 50 0 HIAARO Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000003553054 132266784 /nfs/dbraw/zinc/26/67/84/132266784.db2.gz VSUYQHBQFRQNLP-UHFFFAOYSA-N 1 0 408.329 4.071 50 0 HIAARO FC(F)(F)c1ccccc1CN1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004109117 132271262 /nfs/dbraw/zinc/27/12/62/132271262.db2.gz LFGXKMLGEYQBOF-UHFFFAOYSA-N 1 0 403.492 4.492 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000005200846 132303864 /nfs/dbraw/zinc/30/38/64/132303864.db2.gz MHTDCHHVIAEMLL-UHFFFAOYSA-N 1 0 411.855 4.292 50 0 HIAARO O=C(NC1CCCC1)c1ccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000011782468 132350432 /nfs/dbraw/zinc/35/04/32/132350432.db2.gz MXJPWVCVIIELKP-UHFFFAOYSA-N 1 0 403.570 4.386 50 0 HIAARO CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000040729970 519777499 /nfs/dbraw/zinc/77/74/99/519777499.db2.gz YCNGDGMBNZKAND-ZDUSSCGKSA-N 1 0 407.146 4.267 50 0 HIAARO CCOc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1ccccc1 ZINC000040720967 520711480 /nfs/dbraw/zinc/71/14/80/520711480.db2.gz KMOVHLGRVVSTAG-UHFFFAOYSA-N 1 0 408.336 4.289 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2F)cc(Cl)c1OCC(=O)N(C)C ZINC000025363111 520731232 /nfs/dbraw/zinc/73/12/32/520731232.db2.gz NWYREVSKBSFXJJ-CQSZACIVSA-N 1 0 408.901 4.196 50 0 HIAARO CCC(CC)[C@@H](CNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1)[NH+]1CCCC1 ZINC000044142159 521602724 /nfs/dbraw/zinc/60/27/24/521602724.db2.gz LIHUDUBOMKKXBQ-OAQYLSRUSA-N 1 0 414.594 4.253 50 0 HIAARO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000032930989 521910130 /nfs/dbraw/zinc/91/01/30/521910130.db2.gz QLFGSALNDCACIV-MRXNPFEDSA-N 1 0 406.452 4.017 50 0 HIAARO COc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc(Cl)c1OC(C)C ZINC000032848478 522074431 /nfs/dbraw/zinc/07/44/31/522074431.db2.gz AXTSLGPDHROUST-UHFFFAOYSA-N 1 0 416.949 4.484 50 0 HIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1cccc(C)c1 ZINC000040733216 522438896 /nfs/dbraw/zinc/43/88/96/522438896.db2.gz OTLKDXKRVJPMMJ-UHFFFAOYSA-N 1 0 408.336 4.206 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1C ZINC000040742485 522446792 /nfs/dbraw/zinc/44/67/92/522446792.db2.gz XWNZUTHRTQXPND-UHFFFAOYSA-N 1 0 416.949 4.338 50 0 HIAARO COc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000040720992 522448188 /nfs/dbraw/zinc/44/81/88/522448188.db2.gz UJHICBRXNCLWKQ-UHFFFAOYSA-N 1 0 412.299 4.038 50 0 HIAARO COCC[NH2+]Cc1cc(Br)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040734266 523948294 /nfs/dbraw/zinc/94/82/94/523948294.db2.gz KASYQKMILGQCHX-UHFFFAOYSA-N 1 0 414.727 4.426 50 0 HIAARO COc1ccc(CC[NH2+]Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000040739117 523975508 /nfs/dbraw/zinc/97/55/08/523975508.db2.gz XHBDMGBGZSEPNU-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)[NH+]2CCCC2)cc1 ZINC000032623078 524048859 /nfs/dbraw/zinc/04/88/59/524048859.db2.gz FRUBQIJOZHANBL-QHCPKHFHSA-N 1 0 419.525 4.480 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2csc(C(C)=O)c2)C1 ZINC000020543127 524408814 /nfs/dbraw/zinc/40/88/14/524408814.db2.gz FXXKJGNKAPFMBU-LJQANCHMSA-N 1 0 400.588 4.346 50 0 HIAARO COc1ccccc1CC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040733150 524422223 /nfs/dbraw/zinc/42/22/23/524422223.db2.gz ARJYUSLINHVFCA-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000045756534 525137583 /nfs/dbraw/zinc/13/75/83/525137583.db2.gz CKXRTKACHUDUOI-UHFFFAOYSA-N 1 0 419.569 4.264 50 0 HIAARO Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3)o2)cc1 ZINC000032841713 525843585 /nfs/dbraw/zinc/84/35/85/525843585.db2.gz KUKAESPRZHYZMO-UHFFFAOYSA-N 1 0 404.514 4.318 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 ZINC000043991311 526157355 /nfs/dbraw/zinc/15/73/55/526157355.db2.gz XETKQVRXCVHKNT-UHFFFAOYSA-N 1 0 412.584 4.055 50 0 HIAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4c(N4CCCCCC4)n3)CC2)cc1 ZINC000041149354 526470168 /nfs/dbraw/zinc/47/01/68/526470168.db2.gz ONMLMFDTCQPZGZ-UHFFFAOYSA-N 1 0 401.558 4.332 50 0 HIAARO O=C(CCc1cccnc1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000020601235 526618252 /nfs/dbraw/zinc/61/82/52/526618252.db2.gz DHJQZSUZMIZLGX-DEOSSOPVSA-N 1 0 420.601 4.483 50 0 HIAARO O=C(Nc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)c1ccc(F)cc1 ZINC000032913848 527329377 /nfs/dbraw/zinc/32/93/77/527329377.db2.gz WYLRIBBPDNRVOD-HSZRJFAPSA-N 1 0 417.484 4.082 50 0 HIAARO CC[NH+]1CCN(c2ccccc2NC(=O)CSCc2ccc(Cl)s2)CC1 ZINC000012552745 535754753 /nfs/dbraw/zinc/75/47/53/535754753.db2.gz XJWYNLMKUOMCNF-UHFFFAOYSA-N 1 0 410.008 4.415 50 0 HIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000008157011 536937520 /nfs/dbraw/zinc/93/75/20/536937520.db2.gz AUHAVCHHSNLZKI-XMMPIXPASA-N 1 0 423.557 4.088 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cc(OC)c(OC)c(OC)c1 ZINC000001249883 557251472 /nfs/dbraw/zinc/25/14/72/557251472.db2.gz AGECSJDGZZTQDK-UHFFFAOYSA-N 1 0 412.534 4.016 50 0 HIAARO COc1ccc(CC[N@H+](C)CCCOc2nsc(-c3ccccc3)n2)cc1OC ZINC000001545352 557271776 /nfs/dbraw/zinc/27/17/76/557271776.db2.gz RHJGWXNLFGHPHA-UHFFFAOYSA-N 1 0 413.543 4.166 50 0 in-vivo HIAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002432105 557347010 /nfs/dbraw/zinc/34/70/10/557347010.db2.gz DBVVIGKNUZNXOZ-OAQYLSRUSA-N 1 0 404.510 4.197 50 0 HIAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000002734536 557373614 /nfs/dbraw/zinc/37/36/14/557373614.db2.gz OFOHOYJTDCSGDL-LJQANCHMSA-N 1 0 401.348 4.320 50 0 HIAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(CC)Cc1ccoc1 ZINC000034836763 557467870 /nfs/dbraw/zinc/46/78/70/557467870.db2.gz UEEMCXQWDADRNS-UHFFFAOYSA-N 1 0 421.589 4.110 50 0 HIAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(CC)Cc1ccco1 ZINC000034836711 557467923 /nfs/dbraw/zinc/46/79/23/557467923.db2.gz YNBBBZPZULMCBM-UHFFFAOYSA-N 1 0 421.589 4.110 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000004811961 557600740 /nfs/dbraw/zinc/60/07/40/557600740.db2.gz YIAPSGUJWRWQJF-UHFFFAOYSA-N 1 0 419.356 4.454 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCCC1 ZINC000022680664 557767434 /nfs/dbraw/zinc/76/74/34/557767434.db2.gz RTNIDHRLRPIIIC-GOSISDBHSA-N 1 0 421.310 4.164 50 0 HIAARO CCn1c2ccccc2c2cc(CN3CCC[C@@H]([NH+]4CCC(CO)CC4)C3)ccc21 ZINC000022851414 557839191 /nfs/dbraw/zinc/83/91/91/557839191.db2.gz RQMMNYBHVMGHRJ-JOCHJYFZSA-N 1 0 405.586 4.483 50 0 HIAARO COCc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)o1 ZINC000011662545 558266146 /nfs/dbraw/zinc/26/61/46/558266146.db2.gz IAVFMXFNGDNZPB-UHFFFAOYSA-N 1 0 411.527 4.400 50 0 HIAARO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)no1 ZINC000011662754 558266487 /nfs/dbraw/zinc/26/64/87/558266487.db2.gz MWNIOYOIDADZJL-LJQANCHMSA-N 1 0 401.510 4.196 50 0 HIAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3c(C)[nH]c4ccccc43)C2)cc1 ZINC000011753493 558272267 /nfs/dbraw/zinc/27/22/67/558272267.db2.gz XMMTYZXHJCCNOT-HXUWFJFHSA-N 1 0 405.542 4.056 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+]2CCC(CO)CC2)cc1F ZINC000011772027 558274590 /nfs/dbraw/zinc/27/45/90/558274590.db2.gz COUWGGOXSRZMIL-UHFFFAOYSA-N 1 0 409.505 4.200 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccccc2OC(F)(F)F)c1 ZINC000011784208 558275649 /nfs/dbraw/zinc/27/56/49/558275649.db2.gz QPSNPGRYXOGQKQ-SFHVURJKSA-N 1 0 422.447 4.265 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000011813175 558278048 /nfs/dbraw/zinc/27/80/48/558278048.db2.gz OPGNGCLNQNMVIO-OAQYLSRUSA-N 1 0 424.541 4.364 50 0 HIAARO Cc1c([C@@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1F ZINC000011821380 558284483 /nfs/dbraw/zinc/28/44/83/558284483.db2.gz WBSNAPFTWCMSEO-MRXNPFEDSA-N 1 0 411.500 4.169 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](CCCC(F)(F)F)C2)c(OC)c1 ZINC000011841586 558287127 /nfs/dbraw/zinc/28/71/27/558287127.db2.gz PQSILZUCPRVMEF-MRXNPFEDSA-N 1 0 416.484 4.155 50 0 HIAARO COc1cc(OC)cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c1 ZINC000011874369 558291919 /nfs/dbraw/zinc/29/19/19/558291919.db2.gz KVWBQTLNUIUYOL-VWLOTQADSA-N 1 0 408.542 4.141 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCCC3)no2)cc1 ZINC000011905242 558295842 /nfs/dbraw/zinc/29/58/42/558295842.db2.gz RARPOVYJMRWLBA-FQEVSTJZSA-N 1 0 409.486 4.290 50 0 HIAARO Cc1ccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000011911665 558296945 /nfs/dbraw/zinc/29/69/45/558296945.db2.gz AEFVHFFDWSSSPY-RXVVDRJESA-N 1 0 408.571 4.131 50 0 HIAARO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000011945776 558302172 /nfs/dbraw/zinc/30/21/72/558302172.db2.gz ZSKCFYXKWINUOR-OAQYLSRUSA-N 1 0 410.583 4.008 50 0 HIAARO CCCCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000019909476 558306389 /nfs/dbraw/zinc/30/63/89/558306389.db2.gz PAGKUNUUPGTLNG-UHFFFAOYSA-N 1 0 402.988 4.106 50 0 HIAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019940117 558314105 /nfs/dbraw/zinc/31/41/05/558314105.db2.gz RWRFCOMBTMHJRV-FQEVSTJZSA-N 1 0 403.448 4.351 50 0 HIAARO COC(=O)C1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000012053526 558314925 /nfs/dbraw/zinc/31/49/25/558314925.db2.gz PJXHFBPQFSOMKV-UHFFFAOYSA-N 1 0 407.489 4.372 50 0 HIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012055971 558315954 /nfs/dbraw/zinc/31/59/54/558315954.db2.gz JHXXUHUANQWNOC-CQSZACIVSA-N 1 0 420.893 4.340 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2n(CCCOc2ccccc2Cl)c1=N ZINC000020069493 558330590 /nfs/dbraw/zinc/33/05/90/558330590.db2.gz HKERHAHBEQVXQL-UHFFFAOYSA-N 1 0 400.954 4.387 50 0 HIAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000020102899 558332373 /nfs/dbraw/zinc/33/23/73/558332373.db2.gz KFOBZCBWHGWUGA-UHFFFAOYSA-N 1 0 405.586 4.173 50 0 HIAARO Cc1nc(C)c(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012194136 558348812 /nfs/dbraw/zinc/34/88/12/558348812.db2.gz QUAHAKDFMSVKNB-IBGZPJMESA-N 1 0 420.022 4.369 50 0 HIAARO FC(F)(F)Oc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000012282090 558365424 /nfs/dbraw/zinc/36/54/24/558365424.db2.gz ZHVQKCNVRRYWBB-UHFFFAOYSA-N 1 0 416.447 4.020 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000012301335 558370874 /nfs/dbraw/zinc/37/08/74/558370874.db2.gz GPTXZNINWQPNDH-LOSJGSFVSA-N 1 0 406.570 4.212 50 0 HIAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000012303757 558372990 /nfs/dbraw/zinc/37/29/90/558372990.db2.gz RNWXKQJMVLUZJO-NRFANRHFSA-N 1 0 403.526 4.368 50 0 HIAARO CC[C@@H]([NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21)c1ccncc1 ZINC000012305318 558374555 /nfs/dbraw/zinc/37/45/55/558374555.db2.gz WLLIPKVFGRAZPV-OAQYLSRUSA-N 1 0 413.525 4.242 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]Cc3[nH]nc4c3CCC4)c(-c3ccc(F)cc3)n2)cc1 ZINC000012306442 558375278 /nfs/dbraw/zinc/37/52/78/558375278.db2.gz PGSJNYCMOOIDQY-UHFFFAOYSA-N 1 0 401.489 4.488 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cscn2)CC1 ZINC000012307053 558375532 /nfs/dbraw/zinc/37/55/32/558375532.db2.gz AVOBGPDECDEVSP-UHFFFAOYSA-N 1 0 420.582 4.401 50 0 HIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3cccc(F)c3n2)CC1 ZINC000012307754 558376143 /nfs/dbraw/zinc/37/61/43/558376143.db2.gz SLYNAXHOEUTOQE-UHFFFAOYSA-N 1 0 409.509 4.392 50 0 HIAARO CC(=O)Nc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012316084 558379290 /nfs/dbraw/zinc/37/92/90/558379290.db2.gz JPOFMAPEOQXQBZ-UHFFFAOYSA-N 1 0 420.475 4.481 50 0 HIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cnn(-c4cccc(F)c4)c3)c2C)cc1 ZINC000012429923 558404764 /nfs/dbraw/zinc/40/47/64/558404764.db2.gz NMUCWBFMENDUEH-INIZCTEOSA-N 1 0 405.477 4.365 50 0 HIAARO O=C(c1nc2sccn2c1C[NH2+]CC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCCCCC1 ZINC000012431658 558406159 /nfs/dbraw/zinc/40/61/59/558406159.db2.gz PPRUUKUQYTWGKA-CEXWTWQISA-N 1 0 412.603 4.494 50 0 HIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012441829 558412300 /nfs/dbraw/zinc/41/23/00/558412300.db2.gz AIUFAJBJLXMSFE-FQEVSTJZSA-N 1 0 402.542 4.038 50 0 HIAARO CCn1ccnc1CN(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012446693 558414345 /nfs/dbraw/zinc/41/43/45/558414345.db2.gz QLZITJNDTBHYIJ-XMMPIXPASA-N 1 0 410.606 4.105 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)Cc1cccnc1 ZINC000012447909 558415254 /nfs/dbraw/zinc/41/52/54/558415254.db2.gz FPYQRBFFOJFDFR-UHFFFAOYSA-N 1 0 419.491 4.056 50 0 HIAARO CCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 ZINC000012448271 558415394 /nfs/dbraw/zinc/41/53/94/558415394.db2.gz REAPEZXGVWOYJV-UHFFFAOYSA-N 1 0 417.513 4.077 50 0 HIAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCSc2nnnn2C)cc1 ZINC000020875209 558418844 /nfs/dbraw/zinc/41/88/44/558418844.db2.gz PNNDVOQQJWAXSB-UHFFFAOYSA-N 1 0 417.966 4.023 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1Cl ZINC000012475456 558422568 /nfs/dbraw/zinc/42/25/68/558422568.db2.gz UJDSDTADWYWSLA-QGZVFWFLSA-N 1 0 404.942 4.066 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1cccc(C(F)(F)F)c1 ZINC000012475279 558422611 /nfs/dbraw/zinc/42/26/11/558422611.db2.gz KENNJYJLVFGBOM-MRXNPFEDSA-N 1 0 402.460 4.315 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000004337844 558423453 /nfs/dbraw/zinc/42/34/53/558423453.db2.gz YBEOMFXSUFUEJZ-LJQANCHMSA-N 1 0 414.864 4.082 50 0 HIAARO Cc1cccc(-n2cc(C[N@@H+](C)CCc3cnn(C)c3)c(-c3cccc(F)c3)n2)c1 ZINC000020993724 558426478 /nfs/dbraw/zinc/42/64/78/558426478.db2.gz RPTOQGNPVSJRDC-UHFFFAOYSA-N 1 0 403.505 4.395 50 0 HIAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000012580892 558432330 /nfs/dbraw/zinc/43/23/30/558432330.db2.gz LYIOHHDANUQNQT-IBGZPJMESA-N 1 0 414.596 4.233 50 0 HIAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(OC)cc3F)C2)c1 ZINC000012588938 558435055 /nfs/dbraw/zinc/43/50/55/558435055.db2.gz LOFDCCKPAWZEAR-GOSISDBHSA-N 1 0 414.521 4.152 50 0 HIAARO COCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012593995 558436832 /nfs/dbraw/zinc/43/68/32/558436832.db2.gz QXMKKUHRBBNMOG-GOSISDBHSA-N 1 0 400.519 4.374 50 0 HIAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2Cl)CC1 ZINC000012612724 558438977 /nfs/dbraw/zinc/43/89/77/558438977.db2.gz XUBDKVBURLKLQC-QGZVFWFLSA-N 1 0 422.997 4.074 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000021663462 558445228 /nfs/dbraw/zinc/44/52/28/558445228.db2.gz JPUFXGJUUWNSTK-UHFFFAOYSA-N 1 0 413.543 4.089 50 0 HIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cn(CC(=O)OC)c2ccc(OC)cc12 ZINC000021720725 558446624 /nfs/dbraw/zinc/44/66/24/558446624.db2.gz RIMAKPFPAYULGB-HXUWFJFHSA-N 1 0 411.502 4.019 50 0 HIAARO C[NH+](C)CCN(C(=O)c1nc2ccccc2s1)c1nc2ccc(F)cc2s1 ZINC000004359156 558448949 /nfs/dbraw/zinc/44/89/49/558448949.db2.gz CMTKAILOSVZTJZ-UHFFFAOYSA-N 1 0 400.504 4.254 50 0 HIAARO CCOc1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc1CO ZINC000012711601 558452626 /nfs/dbraw/zinc/45/26/26/558452626.db2.gz VEUPSVIUFRUMNQ-OAQYLSRUSA-N 1 0 414.565 4.103 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2s1 ZINC000005239786 558453202 /nfs/dbraw/zinc/45/32/02/558453202.db2.gz OIKSVAUORGRHPN-UHFFFAOYSA-N 1 0 421.522 4.391 50 0 HIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000022109110 558463781 /nfs/dbraw/zinc/46/37/81/558463781.db2.gz LFWJRSXFOXGDCG-UHFFFAOYSA-N 1 0 424.357 4.250 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccc(C)c(OC)c2)cc1 ZINC000012835191 558477785 /nfs/dbraw/zinc/47/77/85/558477785.db2.gz VAQPHFOFBDWURO-UHFFFAOYSA-N 1 0 410.558 4.039 50 0 HIAARO CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)CC1 ZINC000012973615 558490246 /nfs/dbraw/zinc/49/02/46/558490246.db2.gz YEDUSVSTYLRJCM-UHFFFAOYSA-N 1 0 416.978 4.322 50 0 HIAARO COc1ccc(-c2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cc1 ZINC000022786024 558511094 /nfs/dbraw/zinc/51/10/94/558511094.db2.gz IBUYEYGTSAKQSH-UHFFFAOYSA-N 1 0 414.509 4.216 50 0 HIAARO CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cs2)cc1 ZINC000022992002 558529510 /nfs/dbraw/zinc/52/95/10/558529510.db2.gz CYZVWMNYXDGZPH-UHFFFAOYSA-N 1 0 421.570 4.333 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000013725902 558584339 /nfs/dbraw/zinc/58/43/39/558584339.db2.gz WHTWBLFAIXASRE-IBGZPJMESA-N 1 0 412.574 4.490 50 0 HIAARO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000034697782 558584454 /nfs/dbraw/zinc/58/44/54/558584454.db2.gz PYCUIRZDWKZISE-ZCYQVOJMSA-N 1 0 406.570 4.274 50 0 HIAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1cccc(C(F)(F)F)c1 ZINC000013769338 558591495 /nfs/dbraw/zinc/59/14/95/558591495.db2.gz PIZGGCYZQVYACI-UHFFFAOYSA-O 1 0 404.387 4.185 50 0 HIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000024445257 558597807 /nfs/dbraw/zinc/59/78/07/558597807.db2.gz OMFUDWZZGKQESF-UHFFFAOYSA-N 1 0 416.493 4.172 50 0 HIAARO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000024674701 558607180 /nfs/dbraw/zinc/60/71/80/558607180.db2.gz ZBWFCFLHTKHUKH-IBGZPJMESA-N 1 0 407.558 4.408 50 0 HIAARO Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(c3cc[nH+]cc3)CC1)c2-n1cccc1 ZINC000024762905 558611076 /nfs/dbraw/zinc/61/10/76/558611076.db2.gz SQEYGNXUGOVHCF-UHFFFAOYSA-N 1 0 417.538 4.061 50 0 HIAARO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000014528287 558655625 /nfs/dbraw/zinc/65/56/25/558655625.db2.gz HOEINLFUMHMZNI-UHFFFAOYSA-N 1 0 414.933 4.284 50 0 HIAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC000014537543 558658733 /nfs/dbraw/zinc/65/87/33/558658733.db2.gz HSLCPRAAJUIJPL-HNNXBMFYSA-N 1 0 421.010 4.281 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccc(F)c1 ZINC000014880573 558675886 /nfs/dbraw/zinc/67/58/86/558675886.db2.gz MSOWIBRZDWEQLQ-GOSISDBHSA-N 1 0 414.521 4.265 50 0 HIAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014889099 558677975 /nfs/dbraw/zinc/67/79/75/558677975.db2.gz OTIGQFVRELXAFA-QFIPXVFZSA-N 1 0 418.537 4.402 50 0 HIAARO CC[NH+](CC)CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000014948703 558680412 /nfs/dbraw/zinc/68/04/12/558680412.db2.gz DUIKBAUYYJMXMF-FQEVSTJZSA-N 1 0 411.521 4.012 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027747975 558681654 /nfs/dbraw/zinc/68/16/54/558681654.db2.gz RNVSLSYSNRHDAV-JTSKRJEESA-N 1 0 416.949 4.378 50 0 HIAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)c1 ZINC000014960483 558683936 /nfs/dbraw/zinc/68/39/36/558683936.db2.gz DLZGZROJEPHKFW-HXUWFJFHSA-N 1 0 408.542 4.206 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687441 /nfs/dbraw/zinc/68/74/41/558687441.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 1 0 412.574 4.099 50 0 HIAARO Cc1ccoc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014978664 558690131 /nfs/dbraw/zinc/69/01/31/558690131.db2.gz CEGQWRZONBJXDE-DEOSSOPVSA-N 1 0 422.569 4.089 50 0 HIAARO Cc1ccoc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014978667 558690161 /nfs/dbraw/zinc/69/01/61/558690161.db2.gz CEGQWRZONBJXDE-XMMPIXPASA-N 1 0 422.569 4.089 50 0 HIAARO COc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028288717 558695564 /nfs/dbraw/zinc/69/55/64/558695564.db2.gz OVCZRMBIIQYWTC-OAQYLSRUSA-N 1 0 410.558 4.325 50 0 HIAARO CCN1CC[NH+](C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCCC2)CC1 ZINC000028293544 558698485 /nfs/dbraw/zinc/69/84/85/558698485.db2.gz HFBLFFRCIZERBV-UHFFFAOYSA-N 1 0 419.613 4.275 50 0 HIAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)s1 ZINC000015064203 558707005 /nfs/dbraw/zinc/70/70/05/558707005.db2.gz MKIOHFPOSUFDJP-UHFFFAOYSA-N 1 0 408.527 4.490 50 0 HIAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000015065905 558708887 /nfs/dbraw/zinc/70/88/87/558708887.db2.gz URMIJFLANRKXHR-DEOSSOPVSA-N 1 0 413.514 4.015 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000015066663 558709612 /nfs/dbraw/zinc/70/96/12/558709612.db2.gz AUNAAJAULZZUED-NSCUHMNNSA-N 1 0 424.516 4.283 50 0 HIAARO O=C1CC[N@@H+](Cc2ccc3ccccc3c2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000015067798 558710732 /nfs/dbraw/zinc/71/07/32/558710732.db2.gz LAKWDKFFSUDTFO-UHFFFAOYSA-N 1 0 422.912 4.456 50 0 HIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000015068516 558710912 /nfs/dbraw/zinc/71/09/12/558710912.db2.gz YBBSGYAHDKRDAX-UHFFFAOYSA-N 1 0 424.541 4.042 50 0 HIAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3ccc(C)s3)CC2)cc1 ZINC000015069122 558711754 /nfs/dbraw/zinc/71/17/54/558711754.db2.gz FXSNYZUZFRCDDS-UHFFFAOYSA-N 1 0 410.543 4.351 50 0 HIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CCn2cccn2)C2CCCC2)CC1 ZINC000015074736 558715251 /nfs/dbraw/zinc/71/52/51/558715251.db2.gz MMRKJMSDGXRWCK-UHFFFAOYSA-N 1 0 422.617 4.308 50 0 HIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2cccc(OC)c2)C1 ZINC000015079954 558718455 /nfs/dbraw/zinc/71/84/55/558718455.db2.gz DXQVHKXSVBDLDS-FQEVSTJZSA-N 1 0 410.558 4.403 50 0 HIAARO CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2nncn2C)cc1 ZINC000072294578 558742926 /nfs/dbraw/zinc/74/29/26/558742926.db2.gz NXFWGENXFRGQRL-UHFFFAOYSA-N 1 0 418.570 4.112 50 0 HIAARO CCOc1ccc2oc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)c(C)c2c1 ZINC000016103278 558771837 /nfs/dbraw/zinc/77/18/37/558771837.db2.gz GYJFXBYGZCLABD-UHFFFAOYSA-N 1 0 422.529 4.324 50 0 HIAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)CSc3ccc(C)cc3)sc2c1 ZINC000004585254 558775660 /nfs/dbraw/zinc/77/56/60/558775660.db2.gz KPAZGCIFVDGZRB-UHFFFAOYSA-N 1 0 415.584 4.300 50 0 HIAARO O[C@@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000016764211 558806290 /nfs/dbraw/zinc/80/62/90/558806290.db2.gz IWXIDXVXNXUSHK-HXUWFJFHSA-N 1 0 404.303 4.239 50 0 HIAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000017012282 558811621 /nfs/dbraw/zinc/81/16/21/558811621.db2.gz HZQGUANHNWNJCE-UHFFFAOYSA-N 1 0 421.589 4.035 50 0 HIAARO C[N@H+](CCCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)Cc1ccccc1 ZINC000033072242 558866704 /nfs/dbraw/zinc/86/67/04/558866704.db2.gz JRNHGGVVEFZMOH-UHFFFAOYSA-N 1 0 409.440 4.497 50 0 HIAARO O=C(/C=C/c1cccc(Cl)c1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055165895 558874684 /nfs/dbraw/zinc/87/46/84/558874684.db2.gz AJJRGMUGVUHDRC-HRBBJJPOSA-N 1 0 409.961 4.166 50 0 HIAARO O=C(CCc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055200421 558875976 /nfs/dbraw/zinc/87/59/76/558875976.db2.gz QOUNPZXFOYTDOG-HSZRJFAPSA-N 1 0 411.977 4.086 50 0 HIAARO O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055370150 558880390 /nfs/dbraw/zinc/88/03/90/558880390.db2.gz KDYZICINLLUPSL-OAQYLSRUSA-N 1 0 417.475 4.132 50 0 HIAARO COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cc(OC)ccc1OC ZINC000004678796 558890086 /nfs/dbraw/zinc/89/00/86/558890086.db2.gz QDLKHDRFYGBGIO-UHFFFAOYSA-N 1 0 401.894 4.479 50 0 HIAARO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000058158704 558904035 /nfs/dbraw/zinc/90/40/35/558904035.db2.gz PIVGVKNFBWVSKN-MRXNPFEDSA-N 1 0 421.472 4.376 50 0 HIAARO CCC(CC)[C@H](CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000058203452 558911876 /nfs/dbraw/zinc/91/18/76/558911876.db2.gz VEGQMDIGUADHKZ-YYDVJCTNSA-N 1 0 416.610 4.322 50 0 HIAARO CCN(CCC(F)(F)F)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000058209940 558912119 /nfs/dbraw/zinc/91/21/19/558912119.db2.gz TWHJATKTJMBGHN-QGZVFWFLSA-N 1 0 401.473 4.206 50 0 HIAARO Cn1cc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266028 558915620 /nfs/dbraw/zinc/91/56/20/558915620.db2.gz HEXSWHMYDFGHMM-DQEYMECFSA-N 1 0 401.554 4.376 50 0 HIAARO C[C@](O)(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000058297882 558917567 /nfs/dbraw/zinc/91/75/67/558917567.db2.gz ITMCSRBCSUKRDP-NRFANRHFSA-N 1 0 421.463 4.199 50 0 HIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1sc2ncccc2c1-n1cccc1 ZINC000033059861 558954028 /nfs/dbraw/zinc/95/40/28/558954028.db2.gz QHRPNVBASOHMGM-UHFFFAOYSA-N 1 0 416.550 4.265 50 0 HIAARO Cc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065365242 558976147 /nfs/dbraw/zinc/97/61/47/558976147.db2.gz VKCBWSDZQPEPMW-UHFFFAOYSA-N 1 0 407.562 4.109 50 0 HIAARO Cc1[nH+]c(CN2CCC3(CN(C[C@@H](C)c4ccccc4)C(=O)O3)CC2)c2ccccn12 ZINC000072468276 558983339 /nfs/dbraw/zinc/98/33/39/558983339.db2.gz MICLWQKGXVSNAZ-LJQANCHMSA-N 1 0 418.541 4.233 50 0 HIAARO CC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072474571 558983669 /nfs/dbraw/zinc/98/36/69/558983669.db2.gz AKBZTVDYZBMISL-UHFFFAOYSA-N 1 0 400.526 4.482 50 0 HIAARO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000067612733 558988953 /nfs/dbraw/zinc/98/89/53/558988953.db2.gz UVOYMYZCDXAYLL-UHFFFAOYSA-N 1 0 410.543 4.059 50 0 HIAARO [NH3+]CCCCCC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067739648 558992098 /nfs/dbraw/zinc/99/20/98/558992098.db2.gz RKXNPVRTCAYGSV-UHFFFAOYSA-N 1 0 403.526 4.259 50 0 HIAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](CNC(=O)c4ccc(F)cc4)C3)c2)n1 ZINC000076915971 558997976 /nfs/dbraw/zinc/99/79/76/558997976.db2.gz SSJIGCIYPKPPOK-NRFANRHFSA-N 1 0 420.532 4.270 50 0 HIAARO O=C(C[NH2+]Cc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000004750079 559047455 /nfs/dbraw/zinc/04/74/55/559047455.db2.gz KNZNGCCTCAIBMC-UHFFFAOYSA-N 1 0 405.445 4.481 50 0 HIAARO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 ZINC000023211955 559059033 /nfs/dbraw/zinc/05/90/33/559059033.db2.gz DKXNGNIJSJXXBI-OAQYLSRUSA-N 1 0 402.966 4.136 50 0 HIAARO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000011351230 559060641 /nfs/dbraw/zinc/06/06/41/559060641.db2.gz FLPSQNSGCCMFAO-UHFFFAOYSA-N 1 0 405.523 4.357 50 0 HIAARO COc1ccc(C[C@@](O)(c2ccc(OC)cc2)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000095918112 559089016 /nfs/dbraw/zinc/08/90/16/559089016.db2.gz XTXLAJQCOUOATO-AREMUKBSSA-N 1 0 421.537 4.123 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014233145 559161116 /nfs/dbraw/zinc/16/11/16/559161116.db2.gz HSCPIRDUHGPZLV-AWEZNQCLSA-N 1 0 408.329 4.016 50 0 HIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)sc3c2c1 ZINC000004939371 559211789 /nfs/dbraw/zinc/21/17/89/559211789.db2.gz MEBPZAHNEDCGEF-IYBDPMFKSA-N 1 0 412.555 4.414 50 0 HIAARO Cn1c2ccccc2c2sc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2c1=O ZINC000005022396 559229565 /nfs/dbraw/zinc/22/95/65/559229565.db2.gz ZCNIHAAXEJQLPY-UHFFFAOYSA-N 1 0 419.550 4.005 50 0 HIAARO CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000005056249 559237659 /nfs/dbraw/zinc/23/76/59/559237659.db2.gz LNSOMTUGVCWUAB-SFHVURJKSA-N 1 0 419.953 4.058 50 0 HIAARO COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](C(C)C)CC2)c1 ZINC000005092068 559243903 /nfs/dbraw/zinc/24/39/03/559243903.db2.gz MYQZDOWJGANELZ-JOCHJYFZSA-N 1 0 421.541 4.448 50 0 HIAARO CCCC[N@H+](C)CCCNC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000005107408 559246149 /nfs/dbraw/zinc/24/61/49/559246149.db2.gz VFDMKELLDNUZQA-UHFFFAOYSA-N 1 0 416.635 4.368 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132214 559249540 /nfs/dbraw/zinc/24/95/40/559249540.db2.gz WOKXFRBYWKPJME-INIZCTEOSA-N 1 0 409.555 4.398 50 0 HIAARO CC[NH+](CC)CCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000005151977 559253993 /nfs/dbraw/zinc/25/39/93/559253993.db2.gz CRZGIBBJIJHGEQ-UHFFFAOYSA-N 1 0 421.589 4.045 50 0 HIAARO O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000426433664 559271407 /nfs/dbraw/zinc/27/14/07/559271407.db2.gz OFPFMWSBJZQBKX-JOCHJYFZSA-N 1 0 405.970 4.339 50 0 HIAARO O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426536588 559274603 /nfs/dbraw/zinc/27/46/03/559274603.db2.gz YSBCQSHPPJFRAO-SANMLTNESA-N 1 0 414.553 4.248 50 0 HIAARO Brc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000061880694 560562043 /nfs/dbraw/zinc/56/20/43/560562043.db2.gz QRUDHXHXFQKWSY-UHFFFAOYSA-N 1 0 422.330 4.196 50 0 HIAARO Cc1ccc2nc(-c3ccc(NC(=O)CNCC(C)(C)C[NH+](C)C)cc3)sc2c1 ZINC000002636214 560586614 /nfs/dbraw/zinc/58/66/14/560586614.db2.gz VFBFRPGRAVJZOD-UHFFFAOYSA-N 1 0 410.587 4.388 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000017911475 560730512 /nfs/dbraw/zinc/73/05/12/560730512.db2.gz UOBNKSZDCUSFJZ-IBGZPJMESA-N 1 0 403.320 4.025 50 0 HIAARO C[NH+]1CCN(CCCN(Cc2cccs2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214015 560790017 /nfs/dbraw/zinc/79/00/17/560790017.db2.gz RINDZZJUJBECOH-UHFFFAOYSA-N 1 0 423.051 4.238 50 0 HIAARO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc2ccccc2oc1=O ZINC000012111448 560889216 /nfs/dbraw/zinc/88/92/16/560889216.db2.gz QCDHBNFKMRNJAW-FQEVSTJZSA-N 1 0 410.901 4.403 50 0 HIAARO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000108126528 560897915 /nfs/dbraw/zinc/89/79/15/560897915.db2.gz YEPVQVVGAUDJFL-VJBMBRPKSA-N 1 0 412.574 4.267 50 0 HIAARO CCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697491 568415517 /nfs/dbraw/zinc/41/55/17/568415517.db2.gz XADVNVSMIIGJQM-VWLOTQADSA-N 1 0 417.553 4.321 50 0 HIAARO COc1ccc(CNCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1OC ZINC000047778185 568431223 /nfs/dbraw/zinc/43/12/23/568431223.db2.gz ZXLRCTJXPOCDSK-RTBURBONSA-N 1 0 412.574 4.480 50 0 HIAARO COc1ccc(C[NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936014 568454309 /nfs/dbraw/zinc/45/43/09/568454309.db2.gz PNUUMSFMETUGDF-NVQXNPDNSA-N 1 0 421.537 4.269 50 0 HIAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000626975 568456116 /nfs/dbraw/zinc/45/61/16/568456116.db2.gz BEFRDBPWQPNWGZ-IBGZPJMESA-N 1 0 410.341 4.025 50 0 HIAARO CCc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](CC)CC2)cc1 ZINC000006877624 568462965 /nfs/dbraw/zinc/46/29/65/568462965.db2.gz KVQWYPCGLFXJFD-UHFFFAOYSA-N 1 0 409.530 4.496 50 0 HIAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC000012301499 568464117 /nfs/dbraw/zinc/46/41/17/568464117.db2.gz AESCVERGFSTHKI-UHFFFAOYSA-N 1 0 402.542 4.040 50 0 HIAARO COc1ccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000000755090 568472411 /nfs/dbraw/zinc/47/24/11/568472411.db2.gz UZAYNMUIRDQVAJ-NLMIPJBGSA-N 1 0 400.482 4.485 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CC4=CCCCC4)C3)C2)c1OC ZINC000014980957 568581547 /nfs/dbraw/zinc/58/15/47/568581547.db2.gz KSHGIPCEWZZJPB-RUZDIDTESA-N 1 0 412.574 4.409 50 0 HIAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020154010 568590878 /nfs/dbraw/zinc/59/08/78/568590878.db2.gz MHYGPMUVAJEIKS-UHFFFAOYSA-N 1 0 420.479 4.035 50 0 HIAARO O=S(=O)(CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000095347335 568599879 /nfs/dbraw/zinc/59/98/79/568599879.db2.gz SKUXVYIFNLMWGE-UHFFFAOYSA-N 1 0 423.582 4.179 50 0 HIAARO Cc1ccc(SC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020385270 568603108 /nfs/dbraw/zinc/60/31/08/568603108.db2.gz CVFMZQLOMDBYOD-IBGZPJMESA-N 1 0 410.505 4.289 50 0 HIAARO COc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440527 568607560 /nfs/dbraw/zinc/60/75/60/568607560.db2.gz XXRNUFCYZXIVJM-KAYWLYCHSA-N 1 0 417.549 4.242 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccncc1 ZINC000095462613 568621498 /nfs/dbraw/zinc/62/14/98/568621498.db2.gz BSMDTOCIKMVARC-AVRDEDQJSA-N 1 0 408.527 4.401 50 0 HIAARO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000095467038 568624519 /nfs/dbraw/zinc/62/45/19/568624519.db2.gz ZSCQSRHFJMMKOX-AWEZNQCLSA-N 1 0 409.456 4.085 50 0 HIAARO COCCC[NH2+]Cc1cnc(C)c2oc(C(=O)c3ccc(Br)cc3)cc21 ZINC000095476051 568630316 /nfs/dbraw/zinc/63/03/16/568630316.db2.gz ZBIMQNFGEDHWTM-UHFFFAOYSA-N 1 0 417.303 4.256 50 0 HIAARO COc1ccc(CCC[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1OC ZINC000225406998 568634689 /nfs/dbraw/zinc/63/46/89/568634689.db2.gz PZIPJLSFLWYVGB-FQEVSTJZSA-N 1 0 412.530 4.280 50 0 HIAARO CC1CC[NH+](Cc2cccc(CNC(=O)c3cnn(C)c3Cc3ccccc3)c2)CC1 ZINC000225547666 568649953 /nfs/dbraw/zinc/64/99/53/568649953.db2.gz PGHQAIBWOYADEL-UHFFFAOYSA-N 1 0 416.569 4.173 50 0 HIAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000021175426 568676925 /nfs/dbraw/zinc/67/69/25/568676925.db2.gz NXXXZUNAABPZSL-KRWDZBQOSA-N 1 0 402.336 4.401 50 0 HIAARO COCC[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4cc5c(cc43)CCC5)cc21 ZINC000096116509 568696019 /nfs/dbraw/zinc/69/60/19/568696019.db2.gz GGTROHSQCSTNLQ-UHFFFAOYSA-N 1 0 404.466 4.134 50 0 HIAARO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000229969369 568716406 /nfs/dbraw/zinc/71/64/06/568716406.db2.gz XZXUWSJDBXYPAI-POGFHVCPSA-N 1 0 417.553 4.289 50 0 HIAARO COc1ccc(-c2noc(NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)cc1 ZINC000021630502 568724947 /nfs/dbraw/zinc/72/49/47/568724947.db2.gz XTJDEKNWQQZCAF-IBGZPJMESA-N 1 0 421.545 4.066 50 0 HIAARO CC(C)[N@H+](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000239722552 568729758 /nfs/dbraw/zinc/72/97/58/568729758.db2.gz CDIIEGNIWFSKFO-KRWDZBQOSA-N 1 0 405.539 4.092 50 0 HIAARO COc1ccc(-c2nnc(-c3cccnc3NCC[N@H+](C)C3CCCCC3)o2)cc1 ZINC000096339080 568736676 /nfs/dbraw/zinc/73/66/76/568736676.db2.gz TVXYHQPKBXYHOU-UHFFFAOYSA-N 1 0 407.518 4.484 50 0 HIAARO CCCn1cc(-c2ccncc2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096386204 568742629 /nfs/dbraw/zinc/74/26/29/568742629.db2.gz LSNBNVUJBQBMNK-UHFFFAOYSA-N 1 0 402.542 4.355 50 0 HIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)CC1 ZINC000096386171 568742686 /nfs/dbraw/zinc/74/26/86/568742686.db2.gz BLIQPWRHKSOFII-UHFFFAOYSA-N 1 0 416.569 4.465 50 0 HIAARO Fc1ccc(Cn2cc(C[NH2+]CCCN3CCOCC3)c3ccccc32)c(Cl)c1 ZINC000247490853 568745467 /nfs/dbraw/zinc/74/54/67/568745467.db2.gz BJSNSXOGJYJMSK-UHFFFAOYSA-N 1 0 415.940 4.294 50 0 HIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccnc(Cl)c1 ZINC000025385589 568766268 /nfs/dbraw/zinc/76/62/68/568766268.db2.gz DCUWTTMYQWNHST-UHFFFAOYSA-N 1 0 406.917 4.310 50 0 HIAARO O=C1c2cccc3cccc(c32)C(=O)N1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000028048449 568778568 /nfs/dbraw/zinc/77/85/68/568778568.db2.gz BPJOHFBKDQPLFK-UHFFFAOYSA-N 1 0 413.521 4.038 50 0 HIAARO CC[NH+](CC)CCCNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491704 568820154 /nfs/dbraw/zinc/82/01/54/568820154.db2.gz DSYXORKMJDSPSG-UHFFFAOYSA-N 1 0 411.981 4.468 50 0 HIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(OCc2ccncc2)cc1 ZINC000029754999 568828867 /nfs/dbraw/zinc/82/88/67/568828867.db2.gz IHJRUDHZHCWJSL-NRFANRHFSA-N 1 0 407.539 4.289 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000057380647 568830406 /nfs/dbraw/zinc/83/04/06/568830406.db2.gz RBLGVXLVTTYAOD-OALUTQOASA-N 1 0 403.526 4.251 50 0 HIAARO CCN1c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2Sc2ccccc2C1=O ZINC000003061168 568852800 /nfs/dbraw/zinc/85/28/00/568852800.db2.gz FKCFYPUZVBMDED-UHFFFAOYSA-N 1 0 423.582 4.424 50 0 HIAARO Cn1ccnc1[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012604477 568870754 /nfs/dbraw/zinc/87/07/54/568870754.db2.gz ZNXIAFPARHKGBB-JOCHJYFZSA-N 1 0 406.505 4.065 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@H](C)c2nc3cc(C)ccc3[nH]2)c1 ZINC000299755863 568872715 /nfs/dbraw/zinc/87/27/15/568872715.db2.gz DTZVPNPOJCTEJM-IEBWSBKVSA-N 1 0 406.530 4.112 50 0 HIAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH+]3CCCC3)ccc2oc1-c1ccccc1 ZINC000003293346 568874132 /nfs/dbraw/zinc/87/41/32/568874132.db2.gz HBKLGWGZJNHKCX-SFHVURJKSA-N 1 0 409.482 4.112 50 0 HIAARO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000003336503 568882845 /nfs/dbraw/zinc/88/28/45/568882845.db2.gz PSNJGFLDOSHKPU-XZOQPEGZSA-N 1 0 423.601 4.158 50 0 HIAARO [NH2+]=C1c2ccccc2CN1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000012658240 568907055 /nfs/dbraw/zinc/90/70/55/568907055.db2.gz YPAMUBQZPBDGHJ-UHFFFAOYSA-N 1 0 413.506 4.341 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000003534473 568913479 /nfs/dbraw/zinc/91/34/79/568913479.db2.gz PLEAOWQHDZYLCN-OAHLLOKOSA-N 1 0 409.349 4.086 50 0 HIAARO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000012749524 568937334 /nfs/dbraw/zinc/93/73/34/568937334.db2.gz YJCBBCMNQMELPL-ZDUSSCGKSA-N 1 0 424.364 4.298 50 0 HIAARO Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1C ZINC000012756242 568943151 /nfs/dbraw/zinc/94/31/51/568943151.db2.gz CLVGGEUWQXLGOJ-JOCHJYFZSA-N 1 0 403.526 4.282 50 0 HIAARO Fc1ccc(Oc2ccnc(N3CCC([NH2+]CCOc4ccccc4)CC3)n2)cc1 ZINC000084556857 568950976 /nfs/dbraw/zinc/95/09/76/568950976.db2.gz IHFMTROTWIDVCO-UHFFFAOYSA-N 1 0 408.477 4.045 50 0 HIAARO CCCN(CC[NH+](C)C)C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000084755200 568958257 /nfs/dbraw/zinc/95/82/57/568958257.db2.gz OIKYJAZVRWVTSC-UHFFFAOYSA-N 1 0 409.324 4.035 50 0 HIAARO CCOCc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802752 568960338 /nfs/dbraw/zinc/96/03/38/568960338.db2.gz GDMLVVKVVASSBM-PZJWPPBQSA-N 1 0 410.558 4.262 50 0 HIAARO CCOCc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802757 568960373 /nfs/dbraw/zinc/96/03/73/568960373.db2.gz GDMLVVKVVASSBM-TZIWHRDSSA-N 1 0 410.558 4.262 50 0 HIAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000007987941 568965565 /nfs/dbraw/zinc/96/55/65/568965565.db2.gz JRKLQUNXDPZLEE-HSZRJFAPSA-N 1 0 405.542 4.307 50 0 HIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1OC ZINC000015680985 568967383 /nfs/dbraw/zinc/96/73/83/568967383.db2.gz CBSCGKMQXIHBDY-UHFFFAOYSA-N 1 0 422.529 4.386 50 0 HIAARO CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000006051427 568987984 /nfs/dbraw/zinc/98/79/84/568987984.db2.gz AQEULXLJDLNFGC-QWRGUYRKSA-N 1 0 407.725 4.249 50 0 HIAARO O=C(Nc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1)c1cccs1 ZINC000008343165 568993773 /nfs/dbraw/zinc/99/37/73/568993773.db2.gz YRDMNVOYQKBFLA-SFHVURJKSA-N 1 0 409.511 4.160 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1Cl ZINC000575621505 569039042 /nfs/dbraw/zinc/03/90/42/569039042.db2.gz OZZTYDMUNMIARK-GOSISDBHSA-N 1 0 415.946 4.221 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000006432719 569050670 /nfs/dbraw/zinc/05/06/70/569050670.db2.gz RUWKXXRTACIBSK-UHFFFAOYSA-N 1 0 407.436 4.029 50 0 HIAARO Cc1coc2cc3oc(=O)c(CC(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)c(C)c3cc12 ZINC000006623794 569075314 /nfs/dbraw/zinc/07/53/14/569075314.db2.gz FMOLNLJYJAPEDR-UHFFFAOYSA-N 1 0 410.514 4.124 50 0 biogenic HIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)c1 ZINC000036031955 569081151 /nfs/dbraw/zinc/08/11/51/569081151.db2.gz SMJFJQIWZAJRBF-QFIPXVFZSA-N 1 0 423.509 4.205 50 0 HIAARO COc1cccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000036074977 569086855 /nfs/dbraw/zinc/08/68/55/569086855.db2.gz BXUXYUFSYQWFMW-KKSFZXQISA-N 1 0 402.922 4.069 50 0 HIAARO COc1cccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000036074979 569086981 /nfs/dbraw/zinc/08/69/81/569086981.db2.gz BXUXYUFSYQWFMW-HRAATJIYSA-N 1 0 402.922 4.069 50 0 HIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095326 569089933 /nfs/dbraw/zinc/08/99/33/569089933.db2.gz HPAFVNDHUOKFBS-QHCPKHFHSA-N 1 0 421.537 4.454 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064761572 569091611 /nfs/dbraw/zinc/09/16/11/569091611.db2.gz HVMFJPCMRCJISF-UHFFFAOYSA-N 1 0 411.937 4.046 50 0 HIAARO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000064820215 569102504 /nfs/dbraw/zinc/10/25/04/569102504.db2.gz SJVDEBQOOUIFEV-LLVKDONJSA-N 1 0 412.353 4.078 50 0 HIAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC(C)C ZINC000036208288 569109840 /nfs/dbraw/zinc/10/98/40/569109840.db2.gz LZVMLXRYDDYAAL-HXUWFJFHSA-N 1 0 403.567 4.043 50 0 HIAARO Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c12 ZINC000006772756 569118078 /nfs/dbraw/zinc/11/80/78/569118078.db2.gz VHDLKTXVSLGZAX-UHFFFAOYSA-N 1 0 417.557 4.128 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000169681303 569127369 /nfs/dbraw/zinc/12/73/69/569127369.db2.gz MNSBERTVXDNUAV-BJKOFHAPSA-N 1 0 410.558 4.386 50 0 HIAARO C[N@H+](CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)Cc1ccccc1 ZINC000064968142 569137885 /nfs/dbraw/zinc/13/78/85/569137885.db2.gz OMSFCOONZUABRW-UHFFFAOYSA-N 1 0 413.521 4.475 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036341308 569141797 /nfs/dbraw/zinc/14/17/97/569141797.db2.gz NSGXJPKMGLXRMG-HSZRJFAPSA-N 1 0 409.505 4.244 50 0 HIAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C)CC2)[C@H](c2ccc(C)cc2)C1 ZINC000036343655 569142352 /nfs/dbraw/zinc/14/23/52/569142352.db2.gz QJWPODTUHUUOTC-QHCPKHFHSA-N 1 0 405.542 4.413 50 0 HIAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[NH+](CC)CC)cc3)ccc21 ZINC000065026825 569155834 /nfs/dbraw/zinc/15/58/34/569155834.db2.gz SOSSKPBDPVMMLF-UHFFFAOYSA-N 1 0 407.558 4.114 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000006871139 569161968 /nfs/dbraw/zinc/16/19/68/569161968.db2.gz MNSBERTVXDNUAV-RPWUZVMVSA-N 1 0 410.558 4.386 50 0 HIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006923477 569182575 /nfs/dbraw/zinc/18/25/75/569182575.db2.gz USMHDRNUVIJNFF-QHCPKHFHSA-N 1 0 412.493 4.457 50 0 HIAARO COc1ccc(C(OC[C@@H](O)C[NH2+]CCc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000006940223 569185573 /nfs/dbraw/zinc/18/55/73/569185573.db2.gz GRILGNVIUNFCMS-QHCPKHFHSA-N 1 0 421.537 4.003 50 0 HIAARO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4cccc(F)c4)cn3)C2)cc1 ZINC000065256972 569208584 /nfs/dbraw/zinc/20/85/84/569208584.db2.gz IFLOSXKKRDJUHY-QFIPXVFZSA-N 1 0 404.489 4.150 50 0 HIAARO Cc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1-c1ccccc1C ZINC000007097833 569219635 /nfs/dbraw/zinc/21/96/35/569219635.db2.gz RWGNALZMVXWRSY-UHFFFAOYSA-N 1 0 421.570 4.211 50 0 HIAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2cc(C)cc(C)c2)CC1 ZINC000007106045 569220179 /nfs/dbraw/zinc/22/01/79/569220179.db2.gz REPNCVJUILKXSQ-UHFFFAOYSA-N 1 0 401.938 4.116 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000170599317 569242707 /nfs/dbraw/zinc/24/27/07/569242707.db2.gz NBISRCSIMOAJRK-HSZRJFAPSA-N 1 0 420.532 4.269 50 0 HIAARO CCn1nccc1C(=O)N(CC[NH+](CC)CC)c1nc2c(ccc(Cl)c2C)s1 ZINC000013698773 569257330 /nfs/dbraw/zinc/25/73/30/569257330.db2.gz LULICPZARAMYIN-UHFFFAOYSA-N 1 0 419.982 4.463 50 0 HIAARO CC(C)[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCCC[C@@H]1O ZINC000089869657 569267579 /nfs/dbraw/zinc/26/75/79/569267579.db2.gz IXSQVEZGBODXMZ-NEPJUHHUSA-N 1 0 400.342 4.075 50 0 HIAARO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089941473 569269248 /nfs/dbraw/zinc/26/92/48/569269248.db2.gz WEGCQYBKVQMRNY-NQIIRXRSSA-N 1 0 407.558 4.035 50 0 HIAARO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993729 569270895 /nfs/dbraw/zinc/27/08/95/569270895.db2.gz GJQDGZIWGKJUKK-XMMPIXPASA-N 1 0 403.526 4.127 50 0 HIAARO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)CC3 ZINC000002121607 569285646 /nfs/dbraw/zinc/28/56/46/569285646.db2.gz FEZIEIUVILFKEF-UHFFFAOYSA-N 1 0 417.553 4.016 50 0 biogenic HIAARO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1cccnc1 ZINC000252552550 569294334 /nfs/dbraw/zinc/29/43/34/569294334.db2.gz UWGHQFZQZXVTHR-ACRUOGEOSA-N 1 0 419.491 4.248 50 0 HIAARO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000253427365 569368483 /nfs/dbraw/zinc/36/84/83/569368483.db2.gz FJKSQLYGGBXSHJ-LJQANCHMSA-N 1 0 423.557 4.064 50 0 HIAARO COc1ccc(C(C)=O)cc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055555 569380742 /nfs/dbraw/zinc/38/07/42/569380742.db2.gz MLNMKZPTLVFYRG-UHFFFAOYSA-N 1 0 418.331 4.456 50 0 HIAARO COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(Cl)c(F)c2)CC1 ZINC000012308862 569381010 /nfs/dbraw/zinc/38/10/10/569381010.db2.gz HTIUCVRDCVBNPJ-UHFFFAOYSA-N 1 0 405.945 4.235 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002421210 569398049 /nfs/dbraw/zinc/39/80/49/569398049.db2.gz YPIKGTCZXJEJSO-NRFANRHFSA-N 1 0 408.473 4.209 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002421211 569398105 /nfs/dbraw/zinc/39/81/05/569398105.db2.gz YPIKGTCZXJEJSO-OAQYLSRUSA-N 1 0 408.473 4.209 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000019881299 569432997 /nfs/dbraw/zinc/43/29/97/569432997.db2.gz VTZVLLJQXUYARX-AWZALFRUSA-N 1 0 423.944 4.250 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000008867682 571129295 /nfs/dbraw/zinc/12/92/95/571129295.db2.gz AZVKYBWIURTDEG-OAQYLSRUSA-N 1 0 402.922 4.071 50 0 HIAARO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCCCC3)cc2O)cc1OC ZINC000009059719 571217304 /nfs/dbraw/zinc/21/73/04/571217304.db2.gz HJPKZJDMOMZIBB-UHFFFAOYSA-N 1 0 423.513 4.331 50 0 HIAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1NC(=O)c1ccco1 ZINC000009460156 571260451 /nfs/dbraw/zinc/26/04/51/571260451.db2.gz BJVGYVLAJWLVCT-UHFFFAOYSA-N 1 0 417.509 4.366 50 0 HIAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1cccc2ccccc21 ZINC000009515977 571265026 /nfs/dbraw/zinc/26/50/26/571265026.db2.gz HHNOKQVZRWFKKD-HXUWFJFHSA-N 1 0 421.585 4.132 50 0 HIAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cc(OC)c1 ZINC000009559366 571268277 /nfs/dbraw/zinc/26/82/77/571268277.db2.gz YCVIVLPDKRMBME-UHFFFAOYSA-N 1 0 411.546 4.354 50 0 HIAARO CCOC(=O)c1noc2nc(C)nc(Nc3ccc(C[NH+]4CCC(C)CC4)cc3)c12 ZINC000009687095 571280076 /nfs/dbraw/zinc/28/00/76/571280076.db2.gz GHQXKNPDVAIVFA-UHFFFAOYSA-N 1 0 409.490 4.078 50 0 HIAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010330527 571300493 /nfs/dbraw/zinc/30/04/93/571300493.db2.gz GDYMJTNUQPYGHM-DEOSSOPVSA-N 1 0 404.510 4.424 50 0 HIAARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334176 571300788 /nfs/dbraw/zinc/30/07/88/571300788.db2.gz KEQBWCPEHHHNDF-HSZRJFAPSA-N 1 0 415.537 4.348 50 0 HIAARO CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000008037635 845466111 /nfs/dbraw/zinc/46/61/11/845466111.db2.gz OXKWTCHMBPRQJR-BUHFOSPRSA-N 1 0 400.526 4.105 50 0 HIAARO COc1cccc(C[NH2+][C@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)c1OC ZINC000011871407 845839010 /nfs/dbraw/zinc/83/90/10/845839010.db2.gz XLZLNNKUGHYIAU-IBGZPJMESA-N 1 0 424.520 4.243 50 0 HIAARO O=C(Nc1cccc(F)c1)[C@@H]1CC12CC[NH+](Cc1cccn1-c1cccnc1)CC2 ZINC000011973600 845844491 /nfs/dbraw/zinc/84/44/91/845844491.db2.gz MTSNKAAOOALOMV-QFIPXVFZSA-N 1 0 404.489 4.252 50 0 HIAARO COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1ccccn1)CC2 ZINC000012076804 845852136 /nfs/dbraw/zinc/85/21/36/845852136.db2.gz MZXDCNNDUJFAIG-UHFFFAOYSA-N 1 0 401.510 4.220 50 0 HIAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000012099027 845853343 /nfs/dbraw/zinc/85/33/43/845853343.db2.gz AYCNRZCSADROKE-OAQYLSRUSA-N 1 0 412.961 4.310 50 0 HIAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH+](Cc1ccncc1)CC2 ZINC000012163623 845856964 /nfs/dbraw/zinc/85/69/64/845856964.db2.gz LTDQZFRCAAFXFJ-IBGZPJMESA-N 1 0 403.448 4.019 50 0 HIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1 ZINC000012317227 845867272 /nfs/dbraw/zinc/86/72/72/845867272.db2.gz XINYPMBVQHFPJH-DEOSSOPVSA-N 1 0 409.505 4.042 50 0 HIAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)NCc2cccs2)c1 ZINC000012436123 845871362 /nfs/dbraw/zinc/87/13/62/845871362.db2.gz UHBROUOIOMYVPS-UHFFFAOYSA-N 1 0 421.566 4.425 50 0 HIAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4[nH]c5ccccc5c4C)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012456900 845872351 /nfs/dbraw/zinc/87/23/51/845872351.db2.gz UZHGRRNLFOZMGU-CZZAQMAHSA-N 1 0 415.537 4.423 50 0 HIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1)c1ccc2c(c1)OCO2 ZINC000012473059 845873391 /nfs/dbraw/zinc/87/33/91/845873391.db2.gz FEUPKKMVFXAYHF-SFHVURJKSA-N 1 0 418.493 4.317 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)CC(F)(F)F)CC1 ZINC000012597260 845878106 /nfs/dbraw/zinc/87/81/06/845878106.db2.gz VSQBIFMBOCFBPY-UHFFFAOYSA-N 1 0 400.485 4.344 50 0 HIAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](C2CCSCC2)CC1 ZINC000012762679 845890599 /nfs/dbraw/zinc/89/05/99/845890599.db2.gz ZXJSVTVWGGTUGT-UHFFFAOYSA-N 1 0 415.563 4.068 50 0 HIAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014533640 845957131 /nfs/dbraw/zinc/95/71/31/845957131.db2.gz YKVWTRCACFPZIG-UHFFFAOYSA-N 1 0 410.562 4.221 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2csc(C)n2)CC1 ZINC000014956678 845994858 /nfs/dbraw/zinc/99/48/58/845994858.db2.gz HVCXFQZYTKRDQN-UHFFFAOYSA-N 1 0 415.603 4.471 50 0 HIAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015075081 846006557 /nfs/dbraw/zinc/00/65/57/846006557.db2.gz NGISLVGCPJVFNI-UHFFFAOYSA-N 1 0 401.510 4.055 50 0 HIAARO COC(=O)Cn1cc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c2ccccc21 ZINC000015074417 846006648 /nfs/dbraw/zinc/00/66/48/846006648.db2.gz YERWZNGDSMWYSZ-KRWDZBQOSA-N 1 0 402.498 4.159 50 0 HIAARO CN(Cc1ccccc1)C1(C[NH2+]Cc2cccn2-c2ncccn2)Cc2ccccc2C1 ZINC000019226313 846360202 /nfs/dbraw/zinc/36/02/02/846360202.db2.gz WXDKGVYRVIOUPF-UHFFFAOYSA-N 1 0 423.564 4.027 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc(OC)c1O ZINC000020205807 846382237 /nfs/dbraw/zinc/38/22/37/846382237.db2.gz YUIKTCLPGHJQAV-IBGZPJMESA-N 1 0 407.514 4.488 50 0 HIAARO COc1ccccc1N1CCC([N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)CC1 ZINC000020600563 846385649 /nfs/dbraw/zinc/38/56/49/846385649.db2.gz QPKPXEYWGIMZQW-XMMPIXPASA-N 1 0 405.586 4.187 50 0 HIAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(Cl)s3)C2)CC1 ZINC000022853463 846630033 /nfs/dbraw/zinc/63/00/33/846630033.db2.gz ANSCVXZOTFEVLQ-KRWDZBQOSA-N 1 0 405.995 4.197 50 0 HIAARO COc1cc(/C=C\C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc(OC)c1OC ZINC000096533462 852549941 /nfs/dbraw/zinc/54/99/41/852549941.db2.gz FJUXLLUMCMFHCZ-KHPPLWFESA-N 1 0 416.562 4.031 50 0 HIAARO CCOc1cc(/C=C\C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000096585378 852551827 /nfs/dbraw/zinc/55/18/27/852551827.db2.gz RUGOOWPJVXVQAJ-ZBTAVZRMSA-N 1 0 414.933 4.151 50 0 HIAARO O=C(c1cccc(F)c1)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777134 853663205 /nfs/dbraw/zinc/66/32/05/853663205.db2.gz MKSCEJGBGGKIQP-UHFFFAOYSA-N 1 0 416.496 4.419 50 0 HIAARO O=C(C1CCC1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776698 853663704 /nfs/dbraw/zinc/66/37/04/853663704.db2.gz BEFZVWFEKMENKX-QFIPXVFZSA-N 1 0 400.538 4.130 50 0 HIAARO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000257174832 854232379 /nfs/dbraw/zinc/23/23/79/854232379.db2.gz LECMXEYRBOPRCZ-OAQYLSRUSA-N 1 0 406.448 4.133 50 0 HIAARO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000257174831 854232596 /nfs/dbraw/zinc/23/25/96/854232596.db2.gz LECMXEYRBOPRCZ-NRFANRHFSA-N 1 0 406.448 4.133 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000257179829 854232742 /nfs/dbraw/zinc/23/27/42/854232742.db2.gz CYUDWFWZSUTQJG-NRFANRHFSA-N 1 0 420.557 4.363 50 0 HIAARO Cc1nnc([C@@H]2CC3(CN2C(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257187123 854234234 /nfs/dbraw/zinc/23/42/34/854234234.db2.gz LJERTJPGNOFWMJ-QFIPXVFZSA-N 1 0 416.525 4.248 50 0 HIAARO CC[C@@H]1C[N@H+](CCC(=O)N2CCCC[C@@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761678 854281191 /nfs/dbraw/zinc/28/11/91/854281191.db2.gz MXWHHJVCLBFHQK-NFBKMPQASA-N 1 0 423.557 4.207 50 0 HIAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CN1Cc1ccccc1Cl ZINC000299794880 854281976 /nfs/dbraw/zinc/28/19/76/854281976.db2.gz KFALFHJLVPNVHR-UNMCSNQZSA-N 1 0 406.014 4.464 50 0 HIAARO CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000464286079 877473568 /nfs/dbraw/zinc/47/35/68/877473568.db2.gz PKVIZDHKPBBXQT-UHFFFAOYSA-N 1 0 402.542 4.190 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1CC1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000575549983 948675992 /nfs/dbraw/zinc/67/59/92/948675992.db2.gz RCGMZEUGJNPZEJ-UHFFFAOYSA-N 1 0 406.530 4.119 50 0 HIAARO O[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000004299576 132274445 /nfs/dbraw/zinc/27/44/45/132274445.db2.gz KULJWIMKNZHLIB-UXHICEINSA-N 1 0 408.571 4.220 50 0 HIAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[NH+]4CCCC4)cc32)cc1 ZINC000004908369 132293213 /nfs/dbraw/zinc/29/32/13/132293213.db2.gz MIFQQHLZTGCWIB-UHFFFAOYSA-N 1 0 409.599 4.323 50 0 HIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000008157010 132328053 /nfs/dbraw/zinc/32/80/53/132328053.db2.gz AUHAVCHHSNLZKI-DEOSSOPVSA-N 1 0 423.557 4.088 50 0 HIAARO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2o1 ZINC000008611383 132331640 /nfs/dbraw/zinc/33/16/40/132331640.db2.gz JUNDPXOSGLHYPT-UHFFFAOYSA-N 1 0 424.520 4.032 50 0 HIAARO COc1ccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000009057982 132335235 /nfs/dbraw/zinc/33/52/35/132335235.db2.gz SGMGTKTYRALOFC-UHFFFAOYSA-N 1 0 411.509 4.023 50 0 HIAARO CC[C@@H](O)C[NH2+]C1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1 ZINC000011784191 132350595 /nfs/dbraw/zinc/35/05/95/132350595.db2.gz RYEJMYRETONZME-RUZDIDTESA-N 1 0 423.601 4.367 50 0 HIAARO CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000242263304 519477357 /nfs/dbraw/zinc/47/73/57/519477357.db2.gz XXWDKQGCKHEQTP-DHIUTWEWSA-N 1 0 424.614 4.287 50 0 HIAARO CC1(C)C[C@@H]([C@H](CC[NH2+]CCN2CCOCC2)Cc2ccccc2Cl)CCO1 ZINC000020590610 520529644 /nfs/dbraw/zinc/52/96/44/520529644.db2.gz PIILXQVIYUAKMK-CTNGQTDRSA-N 1 0 409.014 4.016 50 0 HIAARO CCOC(=O)CCCCCCC(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000043210915 520626507 /nfs/dbraw/zinc/62/65/07/520626507.db2.gz LGSWDULJKNLIPS-UHFFFAOYSA-N 1 0 417.546 4.112 50 0 HIAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)no2)cc1 ZINC000032622502 520804940 /nfs/dbraw/zinc/80/49/40/520804940.db2.gz SIYRDTQKCRKTPG-HXUWFJFHSA-N 1 0 413.905 4.426 50 0 HIAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036246094 520937799 /nfs/dbraw/zinc/93/77/99/520937799.db2.gz UJCSZMHJGIIRKV-NRFANRHFSA-N 1 0 415.578 4.186 50 0 HIAARO CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000032802482 521346784 /nfs/dbraw/zinc/34/67/84/521346784.db2.gz NVFRJHRAPIOKOF-QFIPXVFZSA-N 1 0 401.526 4.449 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C)cc2C)CC1 ZINC000032903173 521699196 /nfs/dbraw/zinc/69/91/96/521699196.db2.gz GNSONPZYKYZTDT-UHFFFAOYSA-N 1 0 421.520 4.022 50 0 HIAARO CC[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032851043 521874474 /nfs/dbraw/zinc/87/44/74/521874474.db2.gz RGNTYRQXUYRHHK-SFHVURJKSA-N 1 0 406.452 4.030 50 0 HIAARO COc1cc(C[NH2+]C2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734441 522441344 /nfs/dbraw/zinc/44/13/44/522441344.db2.gz RCVIFRRVFDYFTD-UHFFFAOYSA-N 1 0 419.319 4.036 50 0 HIAARO CN(Cc1c[nH]nc1-c1cccc(F)c1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020600688 523161888 /nfs/dbraw/zinc/16/18/88/523161888.db2.gz QUHUHXPBWRLIBF-QHCPKHFHSA-N 1 0 404.533 4.279 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000032907662 524094129 /nfs/dbraw/zinc/09/41/29/524094129.db2.gz XGNQPWLSBXVQSI-OAQYLSRUSA-N 1 0 424.932 4.306 50 0 HIAARO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(C)c1Cl ZINC000020347331 525374449 /nfs/dbraw/zinc/37/44/49/525374449.db2.gz UECAQASGIXXHLZ-LJQANCHMSA-N 1 0 409.357 4.172 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cs1 ZINC000032931181 526912152 /nfs/dbraw/zinc/91/21/52/526912152.db2.gz OOEJNYNVWMHCTE-INIZCTEOSA-N 1 0 403.617 4.376 50 0 HIAARO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000027402226 527129817 /nfs/dbraw/zinc/12/98/17/527129817.db2.gz JBHCCDSSELGPAS-FQEVSTJZSA-N 1 0 408.548 4.443 50 0 HIAARO COC[C@@H](C)[NH2+]C1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000011909745 536548985 /nfs/dbraw/zinc/54/89/85/536548985.db2.gz UYZYVQYVRAEGLZ-MRXNPFEDSA-N 1 0 401.938 4.186 50 0 HIAARO COc1ccc(-c2nc(CN3CCN(c4cc(C)[nH+]c(C)c4)CC3)c(C)o2)c(OC)c1 ZINC000012718170 536514281 /nfs/dbraw/zinc/51/42/81/536514281.db2.gz JEGLOKQKSSQXDR-UHFFFAOYSA-N 1 0 422.529 4.001 50 0 HIAARO COc1ccc(Br)cc1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000001164695 557220057 /nfs/dbraw/zinc/22/00/57/557220057.db2.gz AVGRVIJZKLTPNO-UHFFFAOYSA-N 1 0 415.375 4.480 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c3n2CCC3)cc1 ZINC000001781179 557287100 /nfs/dbraw/zinc/28/71/00/557287100.db2.gz OCSYXDGHNWBLSC-AVCGJXAMSA-N 1 0 411.566 4.401 50 0 HIAARO C[NH+](C)CCNC(=O)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712839 557392400 /nfs/dbraw/zinc/39/24/00/557392400.db2.gz QGKBRLTYCFICQC-UHFFFAOYSA-N 1 0 415.946 4.334 50 0 HIAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002773648 557760576 /nfs/dbraw/zinc/76/05/76/557760576.db2.gz PQOZURVUPONIFE-UHFFFAOYSA-N 1 0 412.331 4.346 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc(F)c1 ZINC000022682420 557766808 /nfs/dbraw/zinc/76/68/08/557766808.db2.gz XITNMVDHFWBFNS-IBGZPJMESA-N 1 0 411.502 4.172 50 0 HIAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000002974543 557776074 /nfs/dbraw/zinc/77/60/74/557776074.db2.gz VSPQIXDUUYYARO-QFIPXVFZSA-N 1 0 401.914 4.008 50 0 HIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000008382777 557784711 /nfs/dbraw/zinc/78/47/11/557784711.db2.gz DOMOMRYASJJXGD-MRXNPFEDSA-N 1 0 418.921 4.245 50 0 HIAARO O=C(CCc1ccccc1)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000019740613 558261567 /nfs/dbraw/zinc/26/15/67/558261567.db2.gz GBCZTPOWUUMVRY-RUZDIDTESA-N 1 0 400.522 4.371 50 0 HIAARO O=C(Cc1cc(F)cc(F)c1)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000019745086 558265709 /nfs/dbraw/zinc/26/57/09/558265709.db2.gz IJSLUMKMQTXKRB-XMMPIXPASA-N 1 0 422.475 4.259 50 0 HIAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4F)C3)c2)n1 ZINC000011662314 558266166 /nfs/dbraw/zinc/26/61/66/558266166.db2.gz XLZAPNQYJWIMQQ-RUZDIDTESA-N 1 0 407.533 4.445 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)COc1ccccc1 ZINC000011815081 558278938 /nfs/dbraw/zinc/27/89/38/558278938.db2.gz RSHGSCQBJWTOQA-HXUWFJFHSA-N 1 0 400.950 4.132 50 0 HIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000011817480 558280932 /nfs/dbraw/zinc/28/09/32/558280932.db2.gz PAJQSXJANQWIHX-UHFFFAOYSA-N 1 0 421.522 4.390 50 0 HIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000011838475 558285397 /nfs/dbraw/zinc/28/53/97/558285397.db2.gz PDTJOUAOVXSSKB-UHFFFAOYSA-N 1 0 418.541 4.045 50 0 HIAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)CC4CCCC4)CC3)cc2)cn1 ZINC000011838765 558285662 /nfs/dbraw/zinc/28/56/62/558285662.db2.gz VZRGJKMHFAJFRD-UHFFFAOYSA-N 1 0 424.589 4.002 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](CCCC(F)(F)F)C2)c(OC)c1 ZINC000011841584 558287240 /nfs/dbraw/zinc/28/72/40/558287240.db2.gz PQSILZUCPRVMEF-INIZCTEOSA-N 1 0 416.484 4.155 50 0 HIAARO CN(Cc1ccccc1OCCO)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843125 558288257 /nfs/dbraw/zinc/28/82/57/558288257.db2.gz MSZGFHZFGMOLRF-NRFANRHFSA-N 1 0 416.993 4.098 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843472 558288278 /nfs/dbraw/zinc/28/82/78/558288278.db2.gz OSLNEOGOAPSNCS-OAQYLSRUSA-N 1 0 412.574 4.099 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCCC3)no2)cc1 ZINC000011905240 558295739 /nfs/dbraw/zinc/29/57/39/558295739.db2.gz RARPOVYJMRWLBA-HXUWFJFHSA-N 1 0 409.486 4.290 50 0 HIAARO Cc1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000011909673 558296335 /nfs/dbraw/zinc/29/63/35/558296335.db2.gz POWVMSOBTGIKIS-SFHVURJKSA-N 1 0 400.906 4.048 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1cccnc1 ZINC000011937866 558301228 /nfs/dbraw/zinc/30/12/28/558301228.db2.gz SGEJAKOSFREUFX-FQEVSTJZSA-N 1 0 419.491 4.056 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cccc(OC(F)(F)F)c1 ZINC000012039274 558312611 /nfs/dbraw/zinc/31/26/11/558312611.db2.gz LNQXFJXRGCCQDK-SFHVURJKSA-N 1 0 410.411 4.395 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000012093384 558324818 /nfs/dbraw/zinc/32/48/18/558324818.db2.gz NHZWHJJWQIXQKW-IBGZPJMESA-N 1 0 409.505 4.424 50 0 HIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012094279 558325094 /nfs/dbraw/zinc/32/50/94/558325094.db2.gz DCVMZPXGAFINKE-LJQANCHMSA-N 1 0 400.482 4.469 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(F)c2)N1Cc1ccccc1OC(F)(F)F ZINC000012149576 558338600 /nfs/dbraw/zinc/33/86/00/558338600.db2.gz XLJWEZFCTRKFTB-GOSISDBHSA-N 1 0 410.411 4.395 50 0 HIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCc1cnn(C)c1 ZINC000020234342 558350529 /nfs/dbraw/zinc/35/05/29/558350529.db2.gz AKTVWWBBEYBVSH-UHFFFAOYSA-N 1 0 407.468 4.192 50 0 HIAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000012205668 558352825 /nfs/dbraw/zinc/35/28/25/558352825.db2.gz ZOWCCNPFOBMTBE-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1cccc(OC(F)(F)F)c1 ZINC000012217956 558354516 /nfs/dbraw/zinc/35/45/16/558354516.db2.gz GPROJVBZJZJSCJ-GOSISDBHSA-N 1 0 422.447 4.135 50 0 HIAARO Cc1cccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020322239 558355223 /nfs/dbraw/zinc/35/52/23/558355223.db2.gz FFSCOSGWUPJUSG-VWLOTQADSA-N 1 0 416.565 4.142 50 0 HIAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000012302265 558372150 /nfs/dbraw/zinc/37/21/50/558372150.db2.gz HWIKBYWXWMQJTF-QHCPKHFHSA-N 1 0 422.504 4.186 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)CCc2ccccn2)CC1 ZINC000012308692 558376857 /nfs/dbraw/zinc/37/68/57/558376857.db2.gz IVXRHKZARLELRI-UHFFFAOYSA-N 1 0 423.601 4.420 50 0 HIAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2cccnc2)CC1)N1CCCCC1 ZINC000012318427 558381460 /nfs/dbraw/zinc/38/14/60/558381460.db2.gz YLGQYZRBGOBXNT-UHFFFAOYSA-N 1 0 413.949 4.405 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](CC3CCCCC3)C2)c(OC)c1 ZINC000012385198 558394232 /nfs/dbraw/zinc/39/42/32/558394232.db2.gz OAUZGOVIXFPKCR-HXUWFJFHSA-N 1 0 402.579 4.393 50 0 HIAARO C[C@H]1CN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CCN1C ZINC000012430349 558405277 /nfs/dbraw/zinc/40/52/77/558405277.db2.gz TYTBOWWQOASXJK-KRWDZBQOSA-N 1 0 422.013 4.005 50 0 HIAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012430973 558405678 /nfs/dbraw/zinc/40/56/78/558405678.db2.gz XVPLWLXRYJDXII-FQEVSTJZSA-N 1 0 420.532 4.335 50 0 HIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012441831 558412392 /nfs/dbraw/zinc/41/23/92/558412392.db2.gz AIUFAJBJLXMSFE-HXUWFJFHSA-N 1 0 402.542 4.038 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000020780583 558412556 /nfs/dbraw/zinc/41/25/56/558412556.db2.gz HWSRVXMADSQESV-QHCPKHFHSA-N 1 0 416.569 4.030 50 0 HIAARO Cc1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)oc1C ZINC000012449033 558415785 /nfs/dbraw/zinc/41/57/85/558415785.db2.gz NZPUCYBHEYRKQE-UHFFFAOYSA-N 1 0 419.525 4.265 50 0 HIAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000012449462 558415840 /nfs/dbraw/zinc/41/58/40/558415840.db2.gz SDEAJUZQOSBDRI-UHFFFAOYSA-N 1 0 413.949 4.451 50 0 HIAARO CC(C)C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000012451424 558416040 /nfs/dbraw/zinc/41/60/40/558416040.db2.gz PQVCLWGQNHLPOQ-NRFANRHFSA-N 1 0 414.619 4.433 50 0 HIAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C)c(C)o2)CC1 ZINC000012458695 558418522 /nfs/dbraw/zinc/41/85/22/558418522.db2.gz WWDSKAIVIGHIGQ-UHFFFAOYSA-N 1 0 408.502 4.191 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1Cl ZINC000012475452 558422635 /nfs/dbraw/zinc/42/26/35/558422635.db2.gz UJDSDTADWYWSLA-KRWDZBQOSA-N 1 0 404.942 4.066 50 0 HIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012571095 558429054 /nfs/dbraw/zinc/42/90/54/558429054.db2.gz OIYLVXBOQNCOED-JOCHJYFZSA-N 1 0 415.533 4.404 50 0 HIAARO O=C(c1c[nH]c2ccccc12)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012579474 558432092 /nfs/dbraw/zinc/43/20/92/558432092.db2.gz WVSDRELQRIGMFM-OAQYLSRUSA-N 1 0 409.574 4.444 50 0 HIAARO COc1ccc(CC2(CO)CC[NH+](Cc3cnc(-c4ccccc4C)nc3)CC2)cc1 ZINC000012587909 558434836 /nfs/dbraw/zinc/43/48/36/558434836.db2.gz MZKNEWMEUNFXEE-UHFFFAOYSA-N 1 0 417.553 4.278 50 0 HIAARO CCc1nn2c(nc(CNc3ccccc3C[N@H+](C)C3CCCCC3)cc2=O)s1 ZINC000021698920 558446003 /nfs/dbraw/zinc/44/60/03/558446003.db2.gz OKCJYQJFHYPEGY-UHFFFAOYSA-N 1 0 411.575 4.090 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790436 558448928 /nfs/dbraw/zinc/44/89/28/558448928.db2.gz IBDQOOSAEQQVDI-UHFFFAOYSA-N 1 0 409.843 4.129 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1OC ZINC000012704973 558449480 /nfs/dbraw/zinc/44/94/80/558449480.db2.gz LLYQJPXQJBVJER-NRFANRHFSA-N 1 0 400.563 4.060 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)no2)cc1 ZINC000021807487 558450836 /nfs/dbraw/zinc/45/08/36/558450836.db2.gz TVNZSQSAUASVRX-JOCHJYFZSA-N 1 0 405.498 4.307 50 0 HIAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012712485 558453227 /nfs/dbraw/zinc/45/32/27/558453227.db2.gz MHUJYIJVELJSLS-HSZRJFAPSA-N 1 0 423.576 4.162 50 0 HIAARO COCc1ccc(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)o1 ZINC000012718391 558456005 /nfs/dbraw/zinc/45/60/05/558456005.db2.gz SZBVGLXUGWQGGD-UHFFFAOYSA-N 1 0 404.938 4.388 50 0 HIAARO COc1cc(OC)cc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)c1 ZINC000004359520 558456647 /nfs/dbraw/zinc/45/66/47/558456647.db2.gz LFIUGIQCZYOHGV-UHFFFAOYSA-N 1 0 413.543 4.220 50 0 HIAARO CC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000004359813 558457055 /nfs/dbraw/zinc/45/70/55/558457055.db2.gz OZAFIQBRYPPWNJ-UHFFFAOYSA-N 1 0 417.481 4.376 50 0 HIAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000012746617 558458445 /nfs/dbraw/zinc/45/84/45/558458445.db2.gz AACZDJSOINNBGM-VWLOTQADSA-N 1 0 413.558 4.310 50 0 HIAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCC[NH+](C(C)C)C(C)C)cc12 ZINC000012768343 558462038 /nfs/dbraw/zinc/46/20/38/558462038.db2.gz OTRYEFOZAWZJHP-UHFFFAOYSA-N 1 0 416.566 4.442 50 0 HIAARO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916535 558521695 /nfs/dbraw/zinc/52/16/95/558521695.db2.gz RTSSDJPJULCNGL-MRXNPFEDSA-N 1 0 406.357 4.181 50 0 HIAARO COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C)c1O)[C@H](C)N(C)CC2 ZINC000013410410 558532003 /nfs/dbraw/zinc/53/20/03/558532003.db2.gz PWFLHIQSZMYWPN-CABCVRRESA-N 1 0 412.530 4.300 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000013725906 558584306 /nfs/dbraw/zinc/58/43/06/558584306.db2.gz WHTWBLFAIXASRE-LJQANCHMSA-N 1 0 412.574 4.490 50 0 HIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000024445481 558597835 /nfs/dbraw/zinc/59/78/35/558597835.db2.gz VDOLGALQSBJFMH-UHFFFAOYSA-N 1 0 416.493 4.172 50 0 HIAARO O=C(NCc1ccco1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000013899377 558600952 /nfs/dbraw/zinc/60/09/52/558600952.db2.gz XQXVAKSMTUDYAZ-UHFFFAOYSA-N 1 0 404.510 4.387 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000014086793 558618884 /nfs/dbraw/zinc/61/88/84/558618884.db2.gz PCVIPCVOOOAEAP-HNNXBMFYSA-N 1 0 409.921 4.089 50 0 HIAARO CC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000014197931 558634414 /nfs/dbraw/zinc/63/44/14/558634414.db2.gz NDDXKMATVIVFLM-UHFFFAOYSA-N 1 0 410.539 4.457 50 0 HIAARO COc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764593 558649245 /nfs/dbraw/zinc/64/92/45/558649245.db2.gz NBIHFXFSUINSAU-JYFHCDHNSA-N 1 0 420.553 4.015 50 0 HIAARO COc1cccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)[NH+]2CCCC2)c1 ZINC000014252405 558650625 /nfs/dbraw/zinc/65/06/25/558650625.db2.gz HUCCNFIDGPLDOH-FQEVSTJZSA-N 1 0 407.341 4.498 50 0 HIAARO CCn1c2ccccc2c2cc(C[NH+]3CCC4(CC3)C(=O)N(C)C(=O)N4CC)ccc21 ZINC000014535322 558657975 /nfs/dbraw/zinc/65/79/75/558657975.db2.gz NNAOZSAURMYYSW-UHFFFAOYSA-N 1 0 418.541 4.063 50 0 HIAARO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014539840 558659388 /nfs/dbraw/zinc/65/93/88/558659388.db2.gz KKUKNDWPKJWEND-FCHUYYIVSA-N 1 0 412.549 4.158 50 0 HIAARO C[C@H](CC[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1)c1ccccc1 ZINC000014540535 558659617 /nfs/dbraw/zinc/65/96/17/558659617.db2.gz QCRVHVWFVKOAEZ-HXUWFJFHSA-N 1 0 405.542 4.109 50 0 HIAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccc2n[nH]nc2c1 ZINC000026403534 558660321 /nfs/dbraw/zinc/66/03/21/558660321.db2.gz VRLFLSYVZFKLND-UHFFFAOYSA-N 1 0 411.509 4.151 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027667770 558680022 /nfs/dbraw/zinc/68/00/22/558680022.db2.gz DAUHHWCURQICCN-FQEVSTJZSA-N 1 0 402.922 4.071 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027747958 558681649 /nfs/dbraw/zinc/68/16/49/558681649.db2.gz RNVSLSYSNRHDAV-VGSWGCGISA-N 1 0 416.949 4.378 50 0 HIAARO COc1cccc(CN2CC[N@@H+]([C@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 ZINC000014961787 558684317 /nfs/dbraw/zinc/68/43/17/558684317.db2.gz KFLPMHHUZYJGKF-QGZVFWFLSA-N 1 0 420.475 4.380 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H]3CCCC(C)(C)C3)CC2)c1 ZINC000014972396 558687858 /nfs/dbraw/zinc/68/78/58/558687858.db2.gz JXOAXKOAXNATJZ-SFHVURJKSA-N 1 0 400.563 4.399 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]Cc3c(C)n[nH]c3C)c(-c3cccc(F)c3)n2)cc1 ZINC000014976143 558689210 /nfs/dbraw/zinc/68/92/10/558689210.db2.gz SCTWULAWJJUGCN-UHFFFAOYSA-N 1 0 405.477 4.317 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028013359 558689699 /nfs/dbraw/zinc/68/96/99/558689699.db2.gz KYUSSXPIHFYHDU-IBGZPJMESA-N 1 0 420.475 4.459 50 0 HIAARO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 ZINC000014977274 558689769 /nfs/dbraw/zinc/68/97/69/558689769.db2.gz JLFMYEAXZNPWBK-NFBKMPQASA-N 1 0 401.554 4.370 50 0 HIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1 ZINC000014978182 558690207 /nfs/dbraw/zinc/69/02/07/558690207.db2.gz HXVVWPIBGDADIV-HNNXBMFYSA-N 1 0 410.436 4.087 50 0 HIAARO Fc1cccc(F)c1CN1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014996368 558696341 /nfs/dbraw/zinc/69/63/41/558696341.db2.gz PAMYUFXFTLNVCZ-QGZVFWFLSA-N 1 0 418.557 4.322 50 0 HIAARO Fc1cccc(F)c1CN1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014996371 558696389 /nfs/dbraw/zinc/69/63/89/558696389.db2.gz PAMYUFXFTLNVCZ-KRWDZBQOSA-N 1 0 418.557 4.322 50 0 HIAARO CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292686 558698342 /nfs/dbraw/zinc/69/83/42/558698342.db2.gz AESUFKSKGZYCNG-NRFANRHFSA-N 1 0 404.510 4.312 50 0 HIAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]CCO ZINC000028297155 558699235 /nfs/dbraw/zinc/69/92/35/558699235.db2.gz BQKBZPAAXDMCFT-QFIPXVFZSA-N 1 0 400.522 4.227 50 0 HIAARO Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@H]3CCC[N@H+](CCc4ccccc4)C3)c2)n1 ZINC000015063770 558706368 /nfs/dbraw/zinc/70/63/68/558706368.db2.gz NKUARYVOLNUZFH-VWLOTQADSA-N 1 0 416.569 4.268 50 0 HIAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)c1)C1CC1 ZINC000015070239 558712365 /nfs/dbraw/zinc/71/23/65/558712365.db2.gz KSDPTIAFWXEFOQ-UHFFFAOYSA-N 1 0 406.555 4.403 50 0 HIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)c1cc2ccccc2[nH]1 ZINC000015075972 558716341 /nfs/dbraw/zinc/71/63/41/558716341.db2.gz WSAYSCABLJXUPG-INIZCTEOSA-N 1 0 404.539 4.420 50 0 HIAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087236 558760710 /nfs/dbraw/zinc/76/07/10/558760710.db2.gz SWBPSFDZVGMFOA-HXUWFJFHSA-N 1 0 400.494 4.206 50 0 HIAARO CCCN(C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000072305986 558762506 /nfs/dbraw/zinc/76/25/06/558762506.db2.gz KCTUDDRADGFOCX-FCHUYYIVSA-N 1 0 416.610 4.276 50 0 HIAARO Clc1ccc(-c2cc3c(N4CC[NH+](Cc5ccccc5)CC4)nccn3n2)cc1 ZINC000033266290 558763176 /nfs/dbraw/zinc/76/31/76/558763176.db2.gz SJJNOGGXCGVNHS-UHFFFAOYSA-N 1 0 403.917 4.372 50 0 HIAARO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004279535 558780677 /nfs/dbraw/zinc/78/06/77/558780677.db2.gz RSXFMHFYIPOTDZ-FQEVSTJZSA-N 1 0 404.348 4.144 50 0 HIAARO CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402396 558790170 /nfs/dbraw/zinc/79/01/70/558790170.db2.gz GXXGDGGKWCMWJL-GOSISDBHSA-N 1 0 410.514 4.255 50 0 HIAARO O=C(CSc1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032983792 558804739 /nfs/dbraw/zinc/80/47/39/558804739.db2.gz ILMSSFDTBIJVPM-IBGZPJMESA-N 1 0 419.388 4.495 50 0 HIAARO COC(=O)c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000039557908 558822450 /nfs/dbraw/zinc/82/24/50/558822450.db2.gz ZZLZHMWVQJFKAB-BJKOFHAPSA-N 1 0 420.553 4.234 50 0 HIAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028850 558852590 /nfs/dbraw/zinc/85/25/90/558852590.db2.gz GGQIBSQHYIJBFX-UHFFFAOYSA-N 1 0 421.497 4.392 50 0 HIAARO O[C@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019229385 558853517 /nfs/dbraw/zinc/85/35/17/558853517.db2.gz WVRPUXZKFNELFC-IZZNHLLZSA-N 1 0 405.513 4.372 50 0 HIAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccccc3C(F)(F)F)[N@H+]3CCC[C@@]123 ZINC000055036834 558870203 /nfs/dbraw/zinc/87/02/03/558870203.db2.gz LHMPWEMFMBLEQB-LRQRDZAKSA-N 1 0 401.432 4.038 50 0 HIAARO CSc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055195529 558875597 /nfs/dbraw/zinc/87/55/97/558875597.db2.gz MQUYBLTZAAGZPU-FQEVSTJZSA-N 1 0 410.587 4.227 50 0 HIAARO O=C(NC1CCCCCCC1)[C@H]1c2ccccc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000004686223 558895459 /nfs/dbraw/zinc/89/54/59/558895459.db2.gz VNCAZVNSWLKYTI-HSZRJFAPSA-N 1 0 411.590 4.289 50 0 HIAARO CCN(CCC(F)(F)F)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000058209939 558911959 /nfs/dbraw/zinc/91/19/59/558911959.db2.gz TWHJATKTJMBGHN-KRWDZBQOSA-N 1 0 401.473 4.206 50 0 HIAARO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1NC(=O)OC(C)(C)C ZINC000058265888 558915584 /nfs/dbraw/zinc/91/55/84/558915584.db2.gz VSJUPRDURVCMNW-QGZVFWFLSA-N 1 0 418.538 4.134 50 0 HIAARO Cn1cc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266029 558915663 /nfs/dbraw/zinc/91/56/63/558915663.db2.gz HEXSWHMYDFGHMM-JWQCQUIFSA-N 1 0 401.554 4.376 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260965 558926475 /nfs/dbraw/zinc/92/64/75/558926475.db2.gz FEAGKBFJXZJPOF-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261285 558928303 /nfs/dbraw/zinc/92/83/03/558928303.db2.gz UEJDQANBPPWNPQ-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO COCC[N@@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2ccc(OC)c(F)c2)C1 ZINC000065506946 558978081 /nfs/dbraw/zinc/97/80/81/558978081.db2.gz YXHQXXRKWTZXPP-SFHVURJKSA-N 1 0 409.505 4.333 50 0 HIAARO CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072481421 558984206 /nfs/dbraw/zinc/98/42/06/558984206.db2.gz VYBJVBRECUXBAY-IBGZPJMESA-N 1 0 405.498 4.400 50 0 HIAARO C[C@@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031457 558985344 /nfs/dbraw/zinc/98/53/44/558985344.db2.gz WJFJCKIMYLSMDE-UZLBHIALSA-N 1 0 402.995 4.004 50 0 HIAARO CCOc1c(Br)cc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cc1OC ZINC000096971410 558987000 /nfs/dbraw/zinc/98/70/00/558987000.db2.gz LOKYHGBDLNFBIK-SFHVURJKSA-N 1 0 407.352 4.249 50 0 HIAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268789 558992929 /nfs/dbraw/zinc/99/29/29/558992929.db2.gz CYTJLUMHIVQFFJ-UHFFFAOYSA-N 1 0 405.523 4.454 50 0 HIAARO O[C@@H](COc1ccc(Cl)c2ccccc12)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023109825 559011310 /nfs/dbraw/zinc/01/13/10/559011310.db2.gz IFHBUKSCDKSEJX-LJQANCHMSA-N 1 0 414.908 4.194 50 0 HIAARO O=C(c1ccc(Br)cc1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651557 559057245 /nfs/dbraw/zinc/05/72/45/559057245.db2.gz JDWZLXAWRDRFFI-UHFFFAOYSA-N 1 0 416.315 4.019 50 0 HIAARO Cn1cc([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+](C)C)c2ccccc21 ZINC000023240000 559064775 /nfs/dbraw/zinc/06/47/75/559064775.db2.gz XBQNKQRQYSSNNH-IBGZPJMESA-N 1 0 420.340 4.283 50 0 HIAARO Cn1cc([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+](C)C)c2ccccc21 ZINC000023240002 559064786 /nfs/dbraw/zinc/06/47/86/559064786.db2.gz XBQNKQRQYSSNNH-LJQANCHMSA-N 1 0 420.340 4.283 50 0 HIAARO CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011565884 559110358 /nfs/dbraw/zinc/11/03/58/559110358.db2.gz UJBZWFRODZBQQG-UHFFFAOYSA-N 1 0 410.624 4.495 50 0 HIAARO O=c1c(=O)c(N[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)c1Nc1ccc(C(F)(F)F)cc1 ZINC000101387728 559146735 /nfs/dbraw/zinc/14/67/35/559146735.db2.gz JRSCPJJNZMRAQS-IAGOWNOFSA-N 1 0 421.463 4.254 50 0 HIAARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000037554369 559176340 /nfs/dbraw/zinc/17/63/40/559176340.db2.gz WDALGYZNVWFSTP-UHFFFAOYSA-N 1 0 407.489 4.432 50 0 HIAARO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000023701911 559179338 /nfs/dbraw/zinc/17/93/38/559179338.db2.gz JDJSVWMSCLZVJH-FCHUYYIVSA-N 1 0 406.526 4.131 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]CCCOc2ccccn2)cc1OC ZINC000113396689 559179891 /nfs/dbraw/zinc/17/98/91/559179891.db2.gz XXRUAJIKDUWUQC-UHFFFAOYSA-N 1 0 409.324 4.200 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901494 559199867 /nfs/dbraw/zinc/19/98/67/559199867.db2.gz DMCSEYANCVHVBW-MRXNPFEDSA-N 1 0 418.006 4.460 50 0 HIAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2ccccn2)CC1 ZINC000004924580 559207682 /nfs/dbraw/zinc/20/76/82/559207682.db2.gz CHQFIUOMFIIACX-UHFFFAOYSA-N 1 0 424.932 4.227 50 0 HIAARO Cc1ccc2oc(=O)c3cc(C(=O)N4CCC([NH+]5CCCCC5)CC4)sc3c2c1 ZINC000004939476 559211795 /nfs/dbraw/zinc/21/17/95/559211795.db2.gz FFRNHVBNXOVMDS-UHFFFAOYSA-N 1 0 410.539 4.407 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)nc21 ZINC000005115544 559247290 /nfs/dbraw/zinc/24/72/90/559247290.db2.gz IMCZLNBUBKWDRD-UHFFFAOYSA-N 1 0 409.555 4.392 50 0 HIAARO Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccccc1Cl ZINC000100735063 559260756 /nfs/dbraw/zinc/26/07/56/559260756.db2.gz AMUMQYGPZWXRAT-PZJWPPBQSA-N 1 0 401.853 4.123 50 0 HIAARO O=C(CCSc1ccccc1)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000079013441 560540871 /nfs/dbraw/zinc/54/08/71/560540871.db2.gz NAEFYVQXPMDEBF-UHFFFAOYSA-N 1 0 412.599 4.356 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3cccc(F)c3)nc21 ZINC000005256894 560550759 /nfs/dbraw/zinc/55/07/59/560550759.db2.gz DMGBCPGAMFBNEH-UHFFFAOYSA-N 1 0 407.898 4.306 50 0 HIAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101374500 560793531 /nfs/dbraw/zinc/79/35/31/560793531.db2.gz GRUPLHSCXBTYGU-UHFFFAOYSA-N 1 0 410.558 4.176 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+]([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000103683572 560843874 /nfs/dbraw/zinc/84/38/74/560843874.db2.gz VWIIVWRQISAIDK-CBGDNZLLSA-N 1 0 406.979 4.338 50 0 HIAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983525 560859213 /nfs/dbraw/zinc/85/92/13/560859213.db2.gz JANGWTKBWNVUSY-FGZHOGPDSA-N 1 0 416.949 4.121 50 0 HIAARO COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)ccc1OCc1csc(C)n1 ZINC000022786830 568499671 /nfs/dbraw/zinc/49/96/71/568499671.db2.gz RJFJVZAREDHYSS-SFHVURJKSA-N 1 0 401.532 4.025 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2CC)cc1Br ZINC000022936938 568500741 /nfs/dbraw/zinc/50/07/41/568500741.db2.gz LLHATQDLIYDIRO-ZDUSSCGKSA-N 1 0 420.189 4.184 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000005780561 568559996 /nfs/dbraw/zinc/55/99/96/568559996.db2.gz KDTBIQUPKZHJFR-MRXNPFEDSA-N 1 0 405.976 4.461 50 0 HIAARO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(C)c1Cl ZINC000020347329 568599366 /nfs/dbraw/zinc/59/93/66/568599366.db2.gz UECAQASGIXXHLZ-IBGZPJMESA-N 1 0 409.357 4.172 50 0 HIAARO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)s2)cc1F ZINC000225510194 568644923 /nfs/dbraw/zinc/64/49/23/568644923.db2.gz MJGPIVBLPPCOAW-KRWDZBQOSA-N 1 0 402.539 4.274 50 0 HIAARO COc1ccccc1NC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CC[NH2+]CC1 ZINC000020940895 568652648 /nfs/dbraw/zinc/65/26/48/568652648.db2.gz BHXDRGCBDIEZEA-UHFFFAOYSA-N 1 0 404.514 4.217 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988172 568655201 /nfs/dbraw/zinc/65/52/01/568655201.db2.gz ZIHZCDUNDGWOQR-UHFFFAOYSA-N 1 0 420.557 4.277 50 0 HIAARO COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000021097965 568665367 /nfs/dbraw/zinc/66/53/67/568665367.db2.gz VJZWFTKNDQACDV-QFIPXVFZSA-N 1 0 416.587 4.052 50 0 HIAARO C[NH+](C)CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1cccnc1 ZINC000096007143 568683185 /nfs/dbraw/zinc/68/31/85/568683185.db2.gz QSTDCJYXBOXKAP-UHFFFAOYSA-N 1 0 415.752 4.044 50 0 HIAARO CC1(C(=O)NCc2cccnc2OC2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000096012314 568684744 /nfs/dbraw/zinc/68/47/44/568684744.db2.gz QNLARTYQFRZNLP-UHFFFAOYSA-N 1 0 407.558 4.322 50 0 HIAARO O=C(CCc1conc1-c1cccc(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096386694 568743408 /nfs/dbraw/zinc/74/34/08/568743408.db2.gz IZTNQNHVBVKAIC-UHFFFAOYSA-N 1 0 407.489 4.194 50 0 HIAARO Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)oc2C)n1 ZINC000096397291 568746169 /nfs/dbraw/zinc/74/61/69/568746169.db2.gz PKTCKJCIINBEPS-UHFFFAOYSA-N 1 0 421.545 4.326 50 0 HIAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248118093 568747455 /nfs/dbraw/zinc/74/74/55/568747455.db2.gz TZMQJESTKIALMA-NRFANRHFSA-N 1 0 404.558 4.454 50 0 HIAARO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000056216105 568794507 /nfs/dbraw/zinc/79/45/07/568794507.db2.gz IHEQVCFKVZAIRU-WMZHIEFXSA-N 1 0 407.558 4.155 50 0 HIAARO CCCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057312052 568826532 /nfs/dbraw/zinc/82/65/32/568826532.db2.gz RVKQMDWASUZSIP-UHFFFAOYSA-N 1 0 424.614 4.402 50 0 HIAARO CC(C)[N@H+](CCCNC(=O)/C=C1\Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000003049713 568849975 /nfs/dbraw/zinc/84/99/75/568849975.db2.gz ZEJRLLDAMIWZDS-QNGOZBTKSA-N 1 0 409.555 4.032 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000003056738 568851848 /nfs/dbraw/zinc/85/18/48/568851848.db2.gz AATCGZQFCDXWQX-NKFKGCMQSA-N 1 0 419.525 4.055 50 0 HIAARO CCOC(=O)c1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)cc1 ZINC000003058473 568851915 /nfs/dbraw/zinc/85/19/15/568851915.db2.gz PKPITBLYAOUYFE-UHFFFAOYSA-N 1 0 403.592 4.289 50 0 HIAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000012599253 568869503 /nfs/dbraw/zinc/86/95/03/568869503.db2.gz XFPPWNCZXDMCNT-MRXNPFEDSA-N 1 0 421.472 4.376 50 0 HIAARO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)C3CCCCC3)c2c1 ZINC000003275735 568870990 /nfs/dbraw/zinc/87/09/90/568870990.db2.gz HPNKVRKUMVCRKN-UHFFFAOYSA-N 1 0 411.593 4.216 50 0 HIAARO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CC[C@@H]3CCCc4cccc1c43)CC2 ZINC000003963671 568871668 /nfs/dbraw/zinc/87/16/68/568871668.db2.gz JLFMYEAXZNPWBK-REWPJTCUSA-N 1 0 401.554 4.370 50 0 investigational HIAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000003371944 568890752 /nfs/dbraw/zinc/89/07/52/568890752.db2.gz QJZSESKXUXCTCY-UHFFFAOYSA-N 1 0 409.530 4.273 50 0 HIAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000031338225 568924372 /nfs/dbraw/zinc/92/43/72/568924372.db2.gz UUMCDIVBJJBHDF-UHFFFAOYSA-N 1 0 408.505 4.085 50 0 HIAARO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000670451113 568927142 /nfs/dbraw/zinc/92/71/42/568927142.db2.gz QNGWVXJGTNGWTO-NRFANRHFSA-N 1 0 402.542 4.070 50 0 HIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000004084245 568939768 /nfs/dbraw/zinc/93/97/68/568939768.db2.gz HDAJZIPHBMYKGQ-HLMLHLEXSA-N 1 0 421.581 4.290 50 0 biogenic HIAARO Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(C)c1C ZINC000012771978 568952224 /nfs/dbraw/zinc/95/22/24/568952224.db2.gz IDNOTNXQDNGQPV-UHFFFAOYSA-N 1 0 404.576 4.107 50 0 HIAARO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000084796793 568959836 /nfs/dbraw/zinc/95/98/36/568959836.db2.gz KDMFTCWVQOPSIK-INIZCTEOSA-N 1 0 411.329 4.216 50 0 HIAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000015679806 568966908 /nfs/dbraw/zinc/96/69/08/568966908.db2.gz XWLZFFXRBGBYRM-UHFFFAOYSA-N 1 0 415.509 4.361 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 ZINC000008003135 568967848 /nfs/dbraw/zinc/96/78/48/568967848.db2.gz GXLVOQKMKJVPGF-FQEVSTJZSA-N 1 0 417.435 4.212 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000015681633 568968192 /nfs/dbraw/zinc/96/81/92/568968192.db2.gz CQMCZNNJQLPNMH-UHFFFAOYSA-N 1 0 423.536 4.106 50 0 HIAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682141 568968466 /nfs/dbraw/zinc/96/84/66/568968466.db2.gz UOSQJPKOCIYWEZ-UHFFFAOYSA-N 1 0 419.525 4.363 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2csc(-c3cccs3)n2)[NH+]2CCCC2)cc1 ZINC000008129928 568975077 /nfs/dbraw/zinc/97/50/77/568975077.db2.gz HMYPCBFNURPYPB-SFHVURJKSA-N 1 0 413.568 4.447 50 0 HIAARO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008190500 568981222 /nfs/dbraw/zinc/98/12/22/568981222.db2.gz KPFJLWUMQRXBAC-UHFFFAOYSA-N 1 0 424.932 4.235 50 0 HIAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000015731266 568981939 /nfs/dbraw/zinc/98/19/39/568981939.db2.gz YGRGNKSRTTZUTA-FQEVSTJZSA-N 1 0 419.573 4.274 50 0 HIAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000008272184 568986502 /nfs/dbraw/zinc/98/65/02/568986502.db2.gz OFEGJSMBCMYGPL-HXUWFJFHSA-N 1 0 411.571 4.078 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000008345467 568994439 /nfs/dbraw/zinc/99/44/39/568994439.db2.gz XFYTYUXTEZXNGI-OSPHWJPCSA-N 1 0 406.526 4.380 50 0 HIAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000583652744 569009352 /nfs/dbraw/zinc/00/93/52/569009352.db2.gz MDEUSTZAXWTZGX-ZJSXRUAMSA-N 1 0 411.590 4.230 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000012897955 569020460 /nfs/dbraw/zinc/02/04/60/569020460.db2.gz PJKGIVYSBZHFRM-UHFFFAOYSA-N 1 0 404.558 4.109 50 0 HIAARO Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)sc2nc(C3CC3)nc(C)c12 ZINC000012914761 569022212 /nfs/dbraw/zinc/02/22/12/569022212.db2.gz YUTOANAUQHJSAY-QGZVFWFLSA-N 1 0 412.534 4.357 50 0 HIAARO Cc1sc2ncnc(N[C@@H](C)C(=O)NCc3ccccc3C[NH+]3CCCC3)c2c1C ZINC000012922315 569023209 /nfs/dbraw/zinc/02/32/09/569023209.db2.gz JXCFRWRZNJNHRL-INIZCTEOSA-N 1 0 423.586 4.021 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(F)c1 ZINC000012927110 569023884 /nfs/dbraw/zinc/02/38/84/569023884.db2.gz RNPKQDHRVFBUJJ-IBGZPJMESA-N 1 0 415.896 4.486 50 0 HIAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000016041398 569028186 /nfs/dbraw/zinc/02/81/86/569028186.db2.gz IZIOHWSZNUHKRR-XYJFISCASA-N 1 0 419.780 4.394 50 0 HIAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000016044487 569028241 /nfs/dbraw/zinc/02/82/41/569028241.db2.gz NJKHRSJAFYFJLP-MSOLQXFVSA-N 1 0 412.555 4.314 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(F)cc1)=N2 ZINC000035372489 569033864 /nfs/dbraw/zinc/03/38/64/569033864.db2.gz BCPPBOBXYMTJRV-UHFFFAOYSA-N 1 0 424.545 4.211 50 0 HIAARO COc1ccc(-c2noc(-c3ccc(N4CCC([NH+]5CCCCC5)CC4)nc3)n2)cc1 ZINC000035461213 569038293 /nfs/dbraw/zinc/03/82/93/569038293.db2.gz XERMAROEJTVREE-UHFFFAOYSA-N 1 0 419.529 4.262 50 0 HIAARO C[NH+](C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F ZINC000006734904 569041591 /nfs/dbraw/zinc/04/15/91/569041591.db2.gz NBESRZVVBXBNBL-KRWDZBQOSA-N 1 0 403.448 4.387 50 0 HIAARO Cc1nc(NCCNC(=O)Nc2ccc3ccccc3c2)cc(Nc2ccccn2)n1 ZINC000090608001 569042130 /nfs/dbraw/zinc/04/21/30/569042130.db2.gz AMRNLCDYTWATCM-UHFFFAOYSA-N 1 0 413.485 4.310 50 0 HIAARO COc1ccc(C(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000241588001 569054770 /nfs/dbraw/zinc/05/47/70/569054770.db2.gz OYVSUPJSVYTSGC-JLGINSKQSA-N 1 0 413.558 4.339 50 0 HIAARO CN(C[C@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000089375210 569059102 /nfs/dbraw/zinc/05/91/02/569059102.db2.gz BGETTWAMHRDTQJ-SANMLTNESA-N 1 0 415.581 4.266 50 0 HIAARO Cc1ccc(OCC[NH+]2CCN(c3ncnc4sc5c(c43)C[C@H](C)CC5)CC2)cc1 ZINC000054290460 569070055 /nfs/dbraw/zinc/07/00/55/569070055.db2.gz LOXCEEBVXLLXCA-GOSISDBHSA-N 1 0 422.598 4.326 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc(OC)ccc21 ZINC000064669635 569078850 /nfs/dbraw/zinc/07/88/50/569078850.db2.gz DDBHZDUPJVOJND-UHFFFAOYSA-N 1 0 423.532 4.337 50 0 HIAARO COc1cccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000036074980 569086903 /nfs/dbraw/zinc/08/69/03/569086903.db2.gz BXUXYUFSYQWFMW-IIBYNOLFSA-N 1 0 402.922 4.069 50 0 HIAARO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809611 569133569 /nfs/dbraw/zinc/13/35/69/569133569.db2.gz SUXNLXCDPSSYAD-LEWJYISDSA-N 1 0 406.979 4.452 50 0 HIAARO Cc1ccc(CN2CCN(C(=O)c3cccc4[nH]cc(C[NH+]5CCCC5)c43)CC2)cc1 ZINC000065135805 569184124 /nfs/dbraw/zinc/18/41/24/569184124.db2.gz BJFFZNXJQINBPK-UHFFFAOYSA-N 1 0 416.569 4.030 50 0 HIAARO C[N@H+](CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1)C1CCCCC1 ZINC000006939663 569185433 /nfs/dbraw/zinc/18/54/33/569185433.db2.gz ASNRVQUPJPHFCN-UHFFFAOYSA-N 1 0 405.546 4.047 50 0 HIAARO C[N@H+](CCCNCc1cccn1-c1nnc(N2CCCCC2)s1)C1CCCCC1 ZINC000007002148 569198936 /nfs/dbraw/zinc/19/89/36/569198936.db2.gz DSBIMTGIBQLRFK-UHFFFAOYSA-N 1 0 416.639 4.063 50 0 HIAARO COc1ccc(Cc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)cc1 ZINC000065255055 569207584 /nfs/dbraw/zinc/20/75/84/569207584.db2.gz DHYVBVBICKNGFJ-UHFFFAOYSA-N 1 0 417.513 4.172 50 0 HIAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000065329756 569225002 /nfs/dbraw/zinc/22/50/02/569225002.db2.gz UAYYQHSPOGEEOT-UHFFFAOYSA-N 1 0 422.529 4.192 50 0 HIAARO C[C@@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1)c1ccccc1 ZINC000065551481 569235073 /nfs/dbraw/zinc/23/50/73/569235073.db2.gz HUHDDNBMZOUJIA-NQIIRXRSSA-N 1 0 405.498 4.382 50 0 HIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)cc4)cc3s2)CC1 ZINC000007512472 569244182 /nfs/dbraw/zinc/24/41/82/569244182.db2.gz UYZOVRLEKXIDEG-UHFFFAOYSA-N 1 0 401.919 4.311 50 0 HIAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000089941676 569269293 /nfs/dbraw/zinc/26/92/93/569269293.db2.gz VBHYESBBZOKLMW-BMGDILEWSA-N 1 0 402.926 4.316 50 0 HIAARO O=C(NCC[NH+]1CCCC1)c1cc2sc(Br)cc2n1CC1CCC1 ZINC000037587878 569308224 /nfs/dbraw/zinc/30/82/24/569308224.db2.gz CEIDMWCQVBHZRM-UHFFFAOYSA-N 1 0 410.381 4.091 50 0 HIAARO FC(F)Oc1ccc(C2=C[C@H](c3ccc(OC(F)F)cc3)N3NC=NC3=[NH+]2)cc1 ZINC000138124509 569359433 /nfs/dbraw/zinc/35/94/33/569359433.db2.gz TZDHQMJYENPLEA-MRXNPFEDSA-N 1 0 406.339 4.190 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)c1nc(-c2ccccc2)oc1C)[NH+]1CCCC1 ZINC000027570339 569374139 /nfs/dbraw/zinc/37/41/39/569374139.db2.gz GSMORHCFTYJTMG-FQEVSTJZSA-N 1 0 405.498 4.226 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)CCCNC(=O)c1ccsc1)c1ccccc1Cl ZINC000027579027 569375340 /nfs/dbraw/zinc/37/53/40/569375340.db2.gz SZGAPSRNPVKZMZ-IBGZPJMESA-N 1 0 421.994 4.111 50 0 HIAARO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)o2)cc1C ZINC000027594329 569375614 /nfs/dbraw/zinc/37/56/14/569375614.db2.gz KPJBMSIZFXAPIC-NRFANRHFSA-N 1 0 409.505 4.449 50 0 HIAARO Cc1cc(Br)ccc1OCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000230532946 569383728 /nfs/dbraw/zinc/38/37/28/569383728.db2.gz HJEJZPGDZMVBLW-UHFFFAOYSA-N 1 0 413.356 4.079 50 0 HIAARO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000078869633 569420870 /nfs/dbraw/zinc/42/08/70/569420870.db2.gz ZEBNWDZUHSRAOK-ROUUACIJSA-N 1 0 415.603 4.423 50 0 HIAARO Fc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067665 571134660 /nfs/dbraw/zinc/13/46/60/571134660.db2.gz QFJPLCSOBVFTHL-XMMPIXPASA-N 1 0 423.511 4.034 50 0 HIAARO COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc1 ZINC000008935327 571163634 /nfs/dbraw/zinc/16/36/34/571163634.db2.gz VPLQXKGEULTZKJ-FQEVSTJZSA-N 1 0 407.341 4.498 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1cccs1 ZINC000040104509 571165482 /nfs/dbraw/zinc/16/54/82/571165482.db2.gz ZCMXIPHLQVWJAH-MRXNPFEDSA-N 1 0 414.556 4.486 50 0 HIAARO COc1ccc([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)[NH+](C)C)cc1 ZINC000040121151 571177229 /nfs/dbraw/zinc/17/72/29/571177229.db2.gz ZANIBLZPHQMSEU-NRFANRHFSA-N 1 0 406.486 4.307 50 0 HIAARO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000040151173 571199331 /nfs/dbraw/zinc/19/93/31/571199331.db2.gz WZIUZVXFOICOOI-XXBNENTESA-N 1 0 408.546 4.077 50 0 HIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000069441968 571228044 /nfs/dbraw/zinc/22/80/44/571228044.db2.gz QMWLDDYTINPBJP-FYYLOGMGSA-N 1 0 404.514 4.033 50 0 HIAARO CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000010214568 571297002 /nfs/dbraw/zinc/29/70/02/571297002.db2.gz AIXGBBZVNOKDHN-NRFANRHFSA-N 1 0 407.514 4.146 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCC[NH+](C)C)C3=O ZINC000010233136 571297486 /nfs/dbraw/zinc/29/74/86/571297486.db2.gz DCOOAGWBCIBRKU-OAQYLSRUSA-N 1 0 408.473 4.046 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333818 571300634 /nfs/dbraw/zinc/30/06/34/571300634.db2.gz PBLPBHWJGXWCSI-OAQYLSRUSA-N 1 0 409.917 4.159 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c(C)c1 ZINC000010334231 571300840 /nfs/dbraw/zinc/30/08/40/571300840.db2.gz SYDPWXZXTXBHDI-XMMPIXPASA-N 1 0 415.537 4.348 50 0 HIAARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010334106 571300853 /nfs/dbraw/zinc/30/08/53/571300853.db2.gz ONCKQAIUIWDVDU-DEOSSOPVSA-N 1 0 415.537 4.294 50 0 HIAARO Cn1c2ccccc2c(Br)c1C(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000071803543 571301690 /nfs/dbraw/zinc/30/16/90/571301690.db2.gz OWPPDZPXIBLCEH-UHFFFAOYSA-N 1 0 412.331 4.077 50 0 HIAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)NCc1ccc(F)cc1 ZINC000077191605 571312281 /nfs/dbraw/zinc/31/22/81/571312281.db2.gz FMHZOPIOAHDXGG-UHFFFAOYSA-N 1 0 404.913 4.024 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1)NCc1ccccc1F ZINC000011820615 845837090 /nfs/dbraw/zinc/83/70/90/845837090.db2.gz JGLZTFNAPGOMDW-FQEVSTJZSA-N 1 0 420.532 4.320 50 0 HIAARO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cc2c1OCO2 ZINC000011844217 845837743 /nfs/dbraw/zinc/83/77/43/845837743.db2.gz GZJOBQMCZNJNQS-XMMPIXPASA-N 1 0 412.505 4.051 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000011944480 845842792 /nfs/dbraw/zinc/84/27/92/845842792.db2.gz WBUIALIWMMLRMQ-UHFFFAOYSA-N 1 0 424.585 4.245 50 0 HIAARO Fc1ccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1 ZINC000011982707 845845738 /nfs/dbraw/zinc/84/57/38/845845738.db2.gz PIWSIDGLSKJGQY-GOSISDBHSA-N 1 0 418.557 4.322 50 0 HIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)c1 ZINC000012431034 845870040 /nfs/dbraw/zinc/87/00/40/845870040.db2.gz IMCXVUCDBLNIIV-DEOSSOPVSA-N 1 0 413.945 4.442 50 0 HIAARO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000012456679 845872709 /nfs/dbraw/zinc/87/27/09/845872709.db2.gz PUFRAKIHBHHMNU-UHFFFAOYSA-N 1 0 414.590 4.057 50 0 HIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000012712381 845884785 /nfs/dbraw/zinc/88/47/85/845884785.db2.gz VHRYEAHPBUNYCB-SFHVURJKSA-N 1 0 402.454 4.334 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)COc1ccccc1 ZINC000014960243 845995741 /nfs/dbraw/zinc/99/57/41/845995741.db2.gz CLZRQFPZOCMEOY-UHFFFAOYSA-N 1 0 400.950 4.132 50 0 HIAARO C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](CC(C)(C)C)CC3)c2C1=O ZINC000014988132 845997030 /nfs/dbraw/zinc/99/70/30/845997030.db2.gz LSJWSRYRUDPJGR-INIZCTEOSA-N 1 0 411.571 4.273 50 0 HIAARO CCn1nc(C)c(C[NH2+]C2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)c1C ZINC000014985871 845997169 /nfs/dbraw/zinc/99/71/69/845997169.db2.gz PCLPFRHMDDKROH-UHFFFAOYSA-N 1 0 406.578 4.147 50 0 HIAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)[nH]n1 ZINC000015062032 846005426 /nfs/dbraw/zinc/00/54/26/846005426.db2.gz CLTCWPUAJLXGKF-KRWDZBQOSA-N 1 0 418.532 4.195 50 0 HIAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000019632827 846370235 /nfs/dbraw/zinc/37/02/35/846370235.db2.gz MRKLNHVEJNRXGB-QGZVFWFLSA-N 1 0 418.453 4.044 50 0 HIAARO CC(=O)Nc1ccc2nc(CN3CCC[C@@H]([N@H+](C)CCc4ccccc4)C3)ccc2c1 ZINC000020449475 846383337 /nfs/dbraw/zinc/38/33/37/846383337.db2.gz CZVZVDJRGCGJMB-RUZDIDTESA-N 1 0 416.569 4.332 50 0 HIAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000023619663 846730982 /nfs/dbraw/zinc/73/09/82/846730982.db2.gz XVDIKNRGTXMFQT-HXUWFJFHSA-N 1 0 424.495 4.164 50 0 HIAARO Cc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2cccs2)cc1C ZINC000101214835 852661120 /nfs/dbraw/zinc/66/11/20/852661120.db2.gz RPKPBLGOGRELES-UHFFFAOYSA-N 1 0 416.660 4.201 50 0 HIAARO O=C(Cc1cccnc1)N1CCC([N@@H+]2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000169786988 853664712 /nfs/dbraw/zinc/66/47/12/853664712.db2.gz QJCFNHZDJKUFSN-XMMPIXPASA-N 1 0 404.558 4.018 50 0 HIAARO CC[C@H](CNC(=O)[C@H](C)N1CCN(C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000254872227 854216054 /nfs/dbraw/zinc/21/60/54/854216054.db2.gz MBJNWKTZWUMRAL-YMAYCRAZSA-N 1 0 405.586 4.016 50 0 HIAARO O=C(c1ccccc1)N1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257175946 854232812 /nfs/dbraw/zinc/23/28/12/854232812.db2.gz ACGIJNSUBXLFRT-DEOSSOPVSA-N 1 0 414.553 4.383 50 0 HIAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]C[C@@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000299794860 854281636 /nfs/dbraw/zinc/28/16/36/854281636.db2.gz KWYCDBYTHUVISE-QHCPKHFHSA-N 1 0 407.558 4.293 50 0 HIAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000299797573 854282021 /nfs/dbraw/zinc/28/20/21/854282021.db2.gz OERKDSGDOKQOJH-LJQANCHMSA-N 1 0 406.574 4.470 50 0 HIAARO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](Cc2nc(-c4ccncc4)no2)CCO3)o1 ZINC000575544600 948675981 /nfs/dbraw/zinc/67/59/81/948675981.db2.gz GRHZLLGTBZSAQT-SFHVURJKSA-N 1 0 408.502 4.037 50 0 HIAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)c2noc(C)c2Cc2c(C)noc2C)C1 ZINC000575551859 948676059 /nfs/dbraw/zinc/67/60/59/948676059.db2.gz VPQVAVPRFAPANL-GOSISDBHSA-N 1 0 423.517 4.038 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCN(C(=O)c2ncoc2-c2cccc(C)c2)C1 ZINC000575548041 948676792 /nfs/dbraw/zinc/67/67/92/948676792.db2.gz GDEOEAUJURRSIY-HXUWFJFHSA-N 1 0 420.513 4.136 50 0 HIAARO CC[NH+](CC)CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000004712679 132285560 /nfs/dbraw/zinc/28/55/60/132285560.db2.gz KVPWGBMIKMUZOU-XLNRJJMWSA-N 1 0 423.582 4.015 50 0 HIAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@@H+]1CCCC[C@H]1CC ZINC000004917832 132294230 /nfs/dbraw/zinc/29/42/30/132294230.db2.gz QWPJOAHBUSZMPJ-QGZVFWFLSA-N 1 0 412.530 4.126 50 0 HIAARO COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)ccc2c1 ZINC000007989230 132326698 /nfs/dbraw/zinc/32/66/98/132326698.db2.gz NGLPJENACXREQK-SFHVURJKSA-N 1 0 403.526 4.342 50 0 HIAARO C[C@H](NC(=O)c1ccc(N2CCC([NH2+]Cc3cccnc3)CC2)cc1)c1ccccc1 ZINC000012243230 132357687 /nfs/dbraw/zinc/35/76/87/132357687.db2.gz VVKMEHLBXAHWTQ-FQEVSTJZSA-N 1 0 414.553 4.331 50 0 HIAARO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCc1ccccc1C ZINC000040740228 520714973 /nfs/dbraw/zinc/71/49/73/520714973.db2.gz RZQRQKBGJJXXAT-UHFFFAOYSA-N 1 0 408.336 4.471 50 0 HIAARO COC(=O)c1ccc2c(c1)[N+](C)=C(/C=C/c1ccc(OC)c(OC)c1OC)C2(C)C ZINC000020070261 522182744 /nfs/dbraw/zinc/18/27/44/522182744.db2.gz NOAQGMUHYJDAIT-JLHYYAGUSA-N 1 0 410.490 4.218 50 0 HIAARO CN(C)c1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000044369046 522230986 /nfs/dbraw/zinc/23/09/86/522230986.db2.gz YVMTZWCNFPWLDW-OAHLLOKOSA-N 1 0 400.470 4.257 50 0 HIAARO COc1cc(C[NH2+]CCCO)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040743766 522446483 /nfs/dbraw/zinc/44/64/83/522446483.db2.gz JWGHKERBTSNEMU-UHFFFAOYSA-N 1 0 414.727 4.162 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720570 522446971 /nfs/dbraw/zinc/44/69/71/522446971.db2.gz AANBLCBBSWQACR-UHFFFAOYSA-N 1 0 418.965 4.048 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040733449 522572685 /nfs/dbraw/zinc/57/26/85/522572685.db2.gz HRTQYNMVHKAUCF-KRWDZBQOSA-N 1 0 408.336 4.206 50 0 HIAARO COc1ccc(CC[NH2+]Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040732823 523976375 /nfs/dbraw/zinc/97/63/75/523976375.db2.gz AFGMITFUFTZCDP-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO C[NH+](C)CCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020100472 524057711 /nfs/dbraw/zinc/05/77/11/524057711.db2.gz HMEHEHKHBGGCAF-UHFFFAOYSA-N 1 0 424.618 4.472 50 0 HIAARO COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(OC(F)F)cc2)[NH+]2CCCC2)c1 ZINC000040160155 524095125 /nfs/dbraw/zinc/09/51/25/524095125.db2.gz XTHXIONLWBXZEE-VZOQVYJPSA-N 1 0 416.468 4.263 50 0 HIAARO COc1ccc(Cc2nc3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3o2)cc1 ZINC000040451183 524166923 /nfs/dbraw/zinc/16/69/23/524166923.db2.gz BDPLFYGSBOIPDS-QGZVFWFLSA-N 1 0 407.514 4.031 50 0 HIAARO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029483179 525011416 /nfs/dbraw/zinc/01/14/16/525011416.db2.gz YPTALQKJGLMYFK-GOSISDBHSA-N 1 0 420.294 4.157 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000040160823 525359806 /nfs/dbraw/zinc/35/98/06/525359806.db2.gz NAQWYLQCTBYLHD-SFHVURJKSA-N 1 0 408.329 4.354 50 0 HIAARO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1C ZINC000040161556 525773081 /nfs/dbraw/zinc/77/30/81/525773081.db2.gz DTYPXUBUSGYZBW-VWLOTQADSA-N 1 0 402.494 4.028 50 0 HIAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000020540586 526413890 /nfs/dbraw/zinc/41/38/90/526413890.db2.gz BSQJFRIYCJCYDJ-JOCHJYFZSA-N 1 0 404.533 4.161 50 0 HIAARO O=C(C[N@@H+]1CCC[C@H](COCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000056908429 526757378 /nfs/dbraw/zinc/75/73/78/526757378.db2.gz AMZIYXPRBLHWTB-SFHVURJKSA-N 1 0 417.347 4.316 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cs1 ZINC000032931182 526913119 /nfs/dbraw/zinc/91/31/19/526913119.db2.gz WLCMZRQJLLRIEN-MRXNPFEDSA-N 1 0 403.617 4.233 50 0 HIAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000072405319 527002583 /nfs/dbraw/zinc/00/25/83/527002583.db2.gz SLMIIIZKEFIVAA-UHFFFAOYSA-N 1 0 424.419 4.052 50 0 HIAARO OCC[NH2+]CCCNCc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040720776 527553670 /nfs/dbraw/zinc/55/36/70/527553670.db2.gz NXJHREPXMONWPK-UHFFFAOYSA-N 1 0 416.924 4.273 50 0 HIAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](C4CCSCC4)C3)CC2)c1 ZINC000020295696 527685709 /nfs/dbraw/zinc/68/57/09/527685709.db2.gz ILPKOUBFJPTYDT-HXUWFJFHSA-N 1 0 413.553 4.187 50 0 HIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000004981246 536496504 /nfs/dbraw/zinc/49/65/04/536496504.db2.gz SBLKUDGIULXZDL-MRXNPFEDSA-N 1 0 408.464 4.476 50 0 HIAARO COc1ccccc1[N+]1=C2CCCCCN2C[C@@]1(O)c1ccc(Br)cc1 ZINC000000622762 557019957 /nfs/dbraw/zinc/01/99/57/557019957.db2.gz XAOOOEVVDSNYIF-OAQYLSRUSA-N 1 0 416.339 4.108 50 0 HIAARO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2)c1 ZINC000034668732 557362301 /nfs/dbraw/zinc/36/23/01/557362301.db2.gz LVGDTTPPZURFSP-UHFFFAOYSA-N 1 0 417.528 4.386 50 0 HIAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c1 ZINC000034682579 557384232 /nfs/dbraw/zinc/38/42/32/557384232.db2.gz RCUAHSZFIHIBIE-UHFFFAOYSA-N 1 0 414.521 4.497 50 0 HIAARO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)c1 ZINC000034683435 557386598 /nfs/dbraw/zinc/38/65/98/557386598.db2.gz WTDCOHHSRGKCFC-UHFFFAOYSA-N 1 0 412.530 4.063 50 0 HIAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000002845718 557402768 /nfs/dbraw/zinc/40/27/68/557402768.db2.gz ACGFRFTVPHPBAR-UHFFFAOYSA-N 1 0 405.119 4.417 50 0 HIAARO COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740519 557444034 /nfs/dbraw/zinc/44/40/34/557444034.db2.gz HTQWRLSEVGPVIZ-DENIHFKCSA-N 1 0 418.578 4.234 50 0 HIAARO Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1C ZINC000034912094 557472671 /nfs/dbraw/zinc/47/26/71/557472671.db2.gz BXSQGYVXTJPJQP-UHFFFAOYSA-N 1 0 419.569 4.259 50 0 HIAARO CCc1ccc([C@@H]2CCc3nc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cn3C2)cc1 ZINC000034899375 557481038 /nfs/dbraw/zinc/48/10/38/557481038.db2.gz QTBRRCUHDBOEQI-SIKLNZKXSA-N 1 0 410.606 4.416 50 0 HIAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004657452 557577035 /nfs/dbraw/zinc/57/70/35/557577035.db2.gz XGHDTURFPLBVDB-OAHLLOKOSA-N 1 0 404.938 4.493 50 0 HIAARO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000004670731 557579267 /nfs/dbraw/zinc/57/92/67/557579267.db2.gz RSFJKZMNGBNGFH-UHFFFAOYSA-N 1 0 414.727 4.162 50 0 HIAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCc2ccccc2C1 ZINC000004744885 557591569 /nfs/dbraw/zinc/59/15/69/557591569.db2.gz QCHCENGYNVKSHO-HXUWFJFHSA-N 1 0 413.359 4.246 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1[nH]nc2ccccc21 ZINC000011663755 558267233 /nfs/dbraw/zinc/26/72/33/558267233.db2.gz MKSSYFOBQTUJBI-MRXNPFEDSA-N 1 0 416.447 4.224 50 0 HIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CCCc4ccccc4)CC3)on2)c1 ZINC000011814440 558278871 /nfs/dbraw/zinc/27/88/71/558278871.db2.gz KFNDDWGIEPKIFW-UHFFFAOYSA-N 1 0 406.526 4.352 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000011815287 558279223 /nfs/dbraw/zinc/27/92/23/558279223.db2.gz SBPWWRPJPSACHJ-LJQANCHMSA-N 1 0 415.965 4.160 50 0 HIAARO CCOc1ccccc1CN(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818244 558281602 /nfs/dbraw/zinc/28/16/02/558281602.db2.gz QKLGVGQILWWWGL-QFIPXVFZSA-N 1 0 422.613 4.413 50 0 HIAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccccn2)CC1 ZINC000011821161 558284622 /nfs/dbraw/zinc/28/46/22/558284622.db2.gz RYKRMYDCEBNADS-UHFFFAOYSA-N 1 0 403.530 4.077 50 0 HIAARO CCOC(=O)c1sc(-c2ccc(C)cc2)cc1NC(=S)N1CCC[N@H+](C)CC1 ZINC000019797183 558284757 /nfs/dbraw/zinc/28/47/57/558284757.db2.gz GKCUIAPUURHMNV-UHFFFAOYSA-N 1 0 417.600 4.235 50 0 HIAARO COc1cc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000011873104 558290942 /nfs/dbraw/zinc/29/09/42/558290942.db2.gz HNSYGKDEUUBSFP-UHFFFAOYSA-N 1 0 419.949 4.183 50 0 HIAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(I)c1)[NH2+]CC2 ZINC000019847956 558294914 /nfs/dbraw/zinc/29/49/14/558294914.db2.gz ZNNLLNFVGMVPQG-LJQANCHMSA-N 1 0 423.294 4.324 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1 ZINC000011905203 558295722 /nfs/dbraw/zinc/29/57/22/558295722.db2.gz JMJFSVWEOGEPEH-GOSISDBHSA-N 1 0 414.303 4.137 50 0 HIAARO CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000011905289 558295805 /nfs/dbraw/zinc/29/58/05/558295805.db2.gz REYCWNHAXBCJSO-QFIPXVFZSA-N 1 0 405.498 4.307 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1F ZINC000012040732 558312827 /nfs/dbraw/zinc/31/28/27/558312827.db2.gz NDAFQJCALMFBHF-HNNXBMFYSA-N 1 0 422.859 4.018 50 0 HIAARO CCCCc1c(C)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000019943065 558314205 /nfs/dbraw/zinc/31/42/05/558314205.db2.gz VNTJXMFKMUYECE-UHFFFAOYSA-N 1 0 416.569 4.333 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000012051802 558314366 /nfs/dbraw/zinc/31/43/66/558314366.db2.gz ADSZDSAFGHEMGK-KKSFZXQISA-N 1 0 414.933 4.359 50 0 HIAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccccc2OC)o1 ZINC000020028626 558323067 /nfs/dbraw/zinc/32/30/67/558323067.db2.gz URYLQRVVYNKRAF-UHFFFAOYSA-N 1 0 416.547 4.146 50 0 HIAARO C[N@H+](Cc1ccc(OCCNC(=O)[C@H]2CCCO2)cc1)Cc1cccc2ccccc21 ZINC000012127218 558331424 /nfs/dbraw/zinc/33/14/24/558331424.db2.gz BEXMNQHIFAJUKP-RUZDIDTESA-N 1 0 418.537 4.146 50 0 HIAARO COc1cc(C)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc1C ZINC000012163610 558342265 /nfs/dbraw/zinc/34/22/65/558342265.db2.gz ZFSCKWGLCSZWCA-QHCPKHFHSA-N 1 0 422.569 4.256 50 0 HIAARO Cc1ccoc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012210507 558353820 /nfs/dbraw/zinc/35/38/20/558353820.db2.gz FYFXPPDSFCSODK-QHCPKHFHSA-N 1 0 410.558 4.430 50 0 HIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](CCc4ccccc4)CC3)cc2)n1 ZINC000020388453 558359088 /nfs/dbraw/zinc/35/90/88/558359088.db2.gz QNYCRCBHPZHOSY-UHFFFAOYSA-N 1 0 402.542 4.382 50 0 HIAARO COc1ccccc1CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000012245048 558361520 /nfs/dbraw/zinc/36/15/20/558361520.db2.gz PEHYHGSIJSXURW-FQEVSTJZSA-N 1 0 420.475 4.427 50 0 HIAARO C[C@@H](NC(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1)c1ccccc1 ZINC000020451414 558365732 /nfs/dbraw/zinc/36/57/32/558365732.db2.gz ASMVYMMPTIHPFE-HXUWFJFHSA-N 1 0 421.585 4.115 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2nccn2C)Cc2cccnc2)CC1 ZINC000012301330 558370907 /nfs/dbraw/zinc/37/09/07/558370907.db2.gz UBOJEIIMZPEIOY-UHFFFAOYSA-N 1 0 403.574 4.038 50 0 HIAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N(C)Cc2ccco2)c1 ZINC000012304094 558373332 /nfs/dbraw/zinc/37/33/32/558373332.db2.gz KKRXSXFGGSNWFJ-UHFFFAOYSA-N 1 0 419.525 4.299 50 0 HIAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012303940 558373352 /nfs/dbraw/zinc/37/33/52/558373352.db2.gz YVPAHZZHFUHTJI-HSZRJFAPSA-N 1 0 409.555 4.322 50 0 HIAARO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012307200 558375831 /nfs/dbraw/zinc/37/58/31/558375831.db2.gz PMCQLRMCSZXJJM-HXUWFJFHSA-N 1 0 410.949 4.157 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012373043 558390535 /nfs/dbraw/zinc/39/05/35/558390535.db2.gz UFOGIVCZVRTFGH-OAQYLSRUSA-N 1 0 418.541 4.429 50 0 HIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1F ZINC000012387239 558396098 /nfs/dbraw/zinc/39/60/98/558396098.db2.gz XNZZRXRYLUGBHM-FQEVSTJZSA-N 1 0 407.489 4.423 50 0 HIAARO Cc1ccccc1CNC(=O)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012387725 558396673 /nfs/dbraw/zinc/39/66/73/558396673.db2.gz VEAQBVVXEORGRT-UHFFFAOYSA-N 1 0 415.537 4.363 50 0 HIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020715056 558400847 /nfs/dbraw/zinc/40/08/47/558400847.db2.gz DAGXRJXZTXHGKU-QGZVFWFLSA-N 1 0 400.569 4.133 50 0 HIAARO CSCc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000012431413 558405994 /nfs/dbraw/zinc/40/59/94/558405994.db2.gz ZNFPMPCTUNXFLW-UHFFFAOYSA-N 1 0 404.551 4.308 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCOc3cccnc3)c(-c3cccc(F)c3)n2)cc1 ZINC000012436407 558409029 /nfs/dbraw/zinc/40/90/29/558409029.db2.gz LTXWXTGBUCSMHE-UHFFFAOYSA-N 1 0 418.472 4.251 50 0 HIAARO Cc1ccsc1C(=O)NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000012451285 558416043 /nfs/dbraw/zinc/41/60/43/558416043.db2.gz ANUALIIQBXOCIK-NRFANRHFSA-N 1 0 412.599 4.433 50 0 HIAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)Cc2ccccc2O1 ZINC000020858350 558417578 /nfs/dbraw/zinc/41/75/78/558417578.db2.gz KZJSRGOQQHBOTH-VWLOTQADSA-N 1 0 405.494 4.202 50 0 HIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873813 558418396 /nfs/dbraw/zinc/41/83/96/558418396.db2.gz QBIDMQGIXVRGGU-UHFFFAOYSA-N 1 0 408.336 4.206 50 0 HIAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000020875603 558419079 /nfs/dbraw/zinc/41/90/79/558419079.db2.gz CEVQYOATFGLJCF-UHFFFAOYSA-N 1 0 413.743 4.174 50 0 HIAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cn1 ZINC000012464466 558419923 /nfs/dbraw/zinc/41/99/23/558419923.db2.gz BMMZFIIAGLHTNK-RUZDIDTESA-N 1 0 405.517 4.408 50 0 HIAARO C[C@@H](COc1ccccc1)[NH+]1CCC(Oc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000012472842 558422236 /nfs/dbraw/zinc/42/22/36/558422236.db2.gz NAELFVMSQQKCIW-FQEVSTJZSA-N 1 0 408.542 4.233 50 0 HIAARO Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012472198 558422310 /nfs/dbraw/zinc/42/23/10/558422310.db2.gz XEVMPCBNWQHTJO-UHFFFAOYSA-N 1 0 423.488 4.041 50 0 HIAARO CCCOc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000020930761 558424186 /nfs/dbraw/zinc/42/41/86/558424186.db2.gz DHUCIYRYBIWULO-UHFFFAOYSA-N 1 0 419.554 4.486 50 0 HIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012593989 558436855 /nfs/dbraw/zinc/43/68/55/558436855.db2.gz QXMKKUHRBBNMOG-SFHVURJKSA-N 1 0 400.519 4.374 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCC2)cc1 ZINC000021805425 558450612 /nfs/dbraw/zinc/45/06/12/558450612.db2.gz NCVYYJZKWDATAY-JOCHJYFZSA-N 1 0 405.498 4.226 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCCC2)cc1 ZINC000021805415 558450641 /nfs/dbraw/zinc/45/06/41/558450641.db2.gz KMWZJOMLVZXICI-QFIPXVFZSA-N 1 0 405.498 4.307 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 ZINC000012715735 558455061 /nfs/dbraw/zinc/45/50/61/558455061.db2.gz BNGLFCOREYCGIX-MBSDFSHPSA-N 1 0 424.585 4.423 50 0 HIAARO COc1cc(OC)cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)c1 ZINC000004359682 558456826 /nfs/dbraw/zinc/45/68/26/558456826.db2.gz ZQDLRKMTMJGZLO-UHFFFAOYSA-N 1 0 413.543 4.220 50 0 HIAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000022074114 558462175 /nfs/dbraw/zinc/46/21/75/558462175.db2.gz DRLQXBXEJBQJPO-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC ZINC000022074394 558462265 /nfs/dbraw/zinc/46/22/65/558462265.db2.gz WVRVYKWWWKBHCQ-UHFFFAOYSA-N 1 0 424.335 4.206 50 0 HIAARO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000012794830 558467867 /nfs/dbraw/zinc/46/78/67/558467867.db2.gz RXLORHZFNLLVSZ-LJQANCHMSA-N 1 0 419.569 4.093 50 0 HIAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012836151 558478116 /nfs/dbraw/zinc/47/81/16/558478116.db2.gz WAVPLLIURJVENN-VMPITWQZSA-N 1 0 406.526 4.144 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cccc(F)c1 ZINC000022462818 558490937 /nfs/dbraw/zinc/49/09/37/558490937.db2.gz LDDZLXKEOJUHQL-QHCPKHFHSA-N 1 0 402.473 4.197 50 0 HIAARO COc1ccc(C(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000013148707 558523384 /nfs/dbraw/zinc/52/33/84/558523384.db2.gz OYVSUPJSVYTSGC-VNZMSGEBSA-N 1 0 413.558 4.339 50 0 HIAARO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCN1CCOCC1 ZINC000023469465 558559247 /nfs/dbraw/zinc/55/92/47/558559247.db2.gz ZIUGSWJRNODYRH-UHFFFAOYSA-N 1 0 410.945 4.494 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000023882076 558579836 /nfs/dbraw/zinc/57/98/36/558579836.db2.gz PRVACZDAEYPVRJ-QGZVFWFLSA-N 1 0 416.978 4.296 50 0 HIAARO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731426 558586765 /nfs/dbraw/zinc/58/67/65/558586765.db2.gz XSQDXMRSMROBQD-UHFFFAOYSA-N 1 0 422.500 4.493 50 0 HIAARO COc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000013739040 558589071 /nfs/dbraw/zinc/58/90/71/558589071.db2.gz BIRFNOUSCKMMDJ-OAQYLSRUSA-N 1 0 416.339 4.108 50 0 HIAARO CCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C(C)C)cc1 ZINC000024748026 558609730 /nfs/dbraw/zinc/60/97/30/558609730.db2.gz QJXOCEDCEYAXDW-DEOSSOPVSA-N 1 0 407.558 4.457 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000014067839 558616982 /nfs/dbraw/zinc/61/69/82/558616982.db2.gz PKALMSYQKNFQPB-NRFANRHFSA-N 1 0 406.530 4.017 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1cccs1 ZINC000072245332 558643214 /nfs/dbraw/zinc/64/32/14/558643214.db2.gz LFXUMOIKVMJLPK-MRXNPFEDSA-N 1 0 405.614 4.117 50 0 HIAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC000014537544 558658668 /nfs/dbraw/zinc/65/86/68/558658668.db2.gz HSLCPRAAJUIJPL-OAHLLOKOSA-N 1 0 421.010 4.281 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2scnc2C)CC1 ZINC000014958802 558683112 /nfs/dbraw/zinc/68/31/12/558683112.db2.gz GVHVTNCAWCQUAW-UHFFFAOYSA-N 1 0 415.603 4.471 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)CCc2cnn(C)c2)cc1 ZINC000014968244 558686602 /nfs/dbraw/zinc/68/66/02/558686602.db2.gz IDCAZKLAZYYARU-UHFFFAOYSA-N 1 0 419.504 4.095 50 0 HIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1OC ZINC000014971250 558687292 /nfs/dbraw/zinc/68/72/92/558687292.db2.gz RQPIKXYYWCSHOS-NRFANRHFSA-N 1 0 419.525 4.293 50 0 HIAARO Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+](C)C)cc(=O)c2c1 ZINC000028290086 558696453 /nfs/dbraw/zinc/69/64/53/558696453.db2.gz LLLBRMYEBOYNFV-FQEVSTJZSA-N 1 0 406.526 4.432 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)n1 ZINC000028290529 558696715 /nfs/dbraw/zinc/69/67/15/558696715.db2.gz RJWYGKCXUIMCDW-KRWDZBQOSA-N 1 0 404.967 4.117 50 0 HIAARO COc1cc(C[N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000028746242 558704310 /nfs/dbraw/zinc/70/43/10/558704310.db2.gz NXXNTZYJEOZQGU-UHFFFAOYSA-N 1 0 404.457 4.165 50 0 HIAARO C[C@@H](Cc1ccccn1)[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000015065510 558708351 /nfs/dbraw/zinc/70/83/51/558708351.db2.gz VLCWFWDHUCJPKU-FQEVSTJZSA-N 1 0 407.558 4.182 50 0 HIAARO Cc1c[nH]c(CC[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1 ZINC000015068101 558710562 /nfs/dbraw/zinc/71/05/62/558710562.db2.gz ZDRUDVZPMYRUNE-UHFFFAOYSA-N 1 0 407.468 4.490 50 0 HIAARO O=C(c1ccc(OC2CC[NH+](C3CSCCSC3)CC2)cc1)N1CCCCC1 ZINC000015073499 558714242 /nfs/dbraw/zinc/71/42/42/558714242.db2.gz XZHINUBRNAETLP-UHFFFAOYSA-N 1 0 420.644 4.005 50 0 HIAARO Cc1noc(C)c1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015075134 558715599 /nfs/dbraw/zinc/71/55/99/558715599.db2.gz YVTHDYYZPYTTGI-OAQYLSRUSA-N 1 0 410.562 4.374 50 0 HIAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CCC3)cc1 ZINC000004553406 558720602 /nfs/dbraw/zinc/72/06/02/558720602.db2.gz MXGCHFFZMQZXQR-UHFFFAOYSA-N 1 0 415.559 4.072 50 0 HIAARO Cc1ccc(-c2nc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000030057272 558726969 /nfs/dbraw/zinc/72/69/69/558726969.db2.gz BZESJVQVPAZDGH-UHFFFAOYSA-N 1 0 405.567 4.442 50 0 HIAARO COc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(OC)c1OC ZINC000030910898 558744417 /nfs/dbraw/zinc/74/44/17/558744417.db2.gz CGYSFKDNZXOPLC-SFHVURJKSA-N 1 0 422.928 4.432 50 0 HIAARO CC[NH+]1CCN(Cc2nn(-c3ccc(C)c(Cl)c3)c(N)c2-c2ccccc2)CC1 ZINC000034852262 558785020 /nfs/dbraw/zinc/78/50/20/558785020.db2.gz CKPYEIFCJZYJMQ-UHFFFAOYSA-N 1 0 409.965 4.221 50 0 HIAARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(Br)cc2)cc1 ZINC000016739927 558803165 /nfs/dbraw/zinc/80/31/65/558803165.db2.gz NADVNKMTNXNWRI-NRFANRHFSA-N 1 0 400.340 4.408 50 0 HIAARO CC(=O)c1ccc(C(=O)NCC2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000019225876 558852558 /nfs/dbraw/zinc/85/25/58/558852558.db2.gz PHICIGXVYHUFIN-UHFFFAOYSA-N 1 0 418.562 4.350 50 0 HIAARO CSc1ccccc1NC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055195534 558875618 /nfs/dbraw/zinc/87/56/18/558875618.db2.gz MQUYBLTZAAGZPU-HXUWFJFHSA-N 1 0 410.587 4.227 50 0 HIAARO CC(C)/C=C/C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055199130 558875683 /nfs/dbraw/zinc/87/56/83/558875683.db2.gz KIFSZMVTGPNBBN-NDDJGDGRSA-N 1 0 409.496 4.031 50 0 HIAARO COc1cccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)c1OC ZINC000004678702 558890043 /nfs/dbraw/zinc/89/00/43/558890043.db2.gz ZLHWKCBZVSKYTP-UHFFFAOYSA-N 1 0 402.292 4.479 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)CC1 ZINC000058157236 558903311 /nfs/dbraw/zinc/90/33/11/558903311.db2.gz OHHKVEOSLKNKCA-UHFFFAOYSA-N 1 0 406.505 4.155 50 0 HIAARO Cc1cc(C(=O)Nc2ccc3c(ccn3CC[NH+](C)C)c2)c(C)n1CC(F)(F)F ZINC000058163504 558906502 /nfs/dbraw/zinc/90/65/02/558906502.db2.gz LQQAZGRSOOGGTH-UHFFFAOYSA-N 1 0 406.452 4.436 50 0 HIAARO Cc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000033252802 558921085 /nfs/dbraw/zinc/92/10/85/558921085.db2.gz ZAAICFMVZJMGAS-UHFFFAOYSA-N 1 0 422.960 4.139 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260963 558926459 /nfs/dbraw/zinc/92/64/59/558926459.db2.gz CHVNUVPBHJPAKG-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO COC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019592555 558943463 /nfs/dbraw/zinc/94/34/63/558943463.db2.gz JNDMCCLHOOGDFM-UHFFFAOYSA-N 1 0 400.478 4.284 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@H]2CCO)cc1F ZINC000072463115 558983128 /nfs/dbraw/zinc/98/31/28/558983128.db2.gz FLPQFXLIZIMIOW-FQEVSTJZSA-N 1 0 409.505 4.342 50 0 HIAARO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(CN3CC[NH+](C)CC3)cc12 ZINC000072472791 558983524 /nfs/dbraw/zinc/98/35/24/558983524.db2.gz PKONSFWEJJOVMC-UHFFFAOYSA-N 1 0 411.933 4.320 50 0 HIAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000067604333 558988436 /nfs/dbraw/zinc/98/84/36/558988436.db2.gz DVUAMDQUBWKAFI-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000022421401 558991454 /nfs/dbraw/zinc/99/14/54/558991454.db2.gz BSCGIATXOHEIJM-JOCHJYFZSA-N 1 0 408.542 4.160 50 0 HIAARO CCOc1c(Br)cc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc1OC ZINC000096971411 559015423 /nfs/dbraw/zinc/01/54/23/559015423.db2.gz LOKYHGBDLNFBIK-GOSISDBHSA-N 1 0 407.352 4.249 50 0 HIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091997959 559074925 /nfs/dbraw/zinc/07/49/25/559074925.db2.gz SZTLQEIVYGIYIB-HSZRJFAPSA-N 1 0 404.514 4.129 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(F)(F)F)cc1 ZINC000095099726 559079345 /nfs/dbraw/zinc/07/93/45/559079345.db2.gz XYTSVISJPSYKGQ-OAHLLOKOSA-N 1 0 409.433 4.455 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1OC ZINC000113399111 559180501 /nfs/dbraw/zinc/18/05/01/559180501.db2.gz HDXSJOGBAJFTHB-UHFFFAOYSA-N 1 0 404.308 4.065 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)sc3c2c1 ZINC000004950751 559215762 /nfs/dbraw/zinc/21/57/62/559215762.db2.gz XQFQRXKBLWJNGX-HZPDHXFCSA-N 1 0 411.571 4.149 50 0 HIAARO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCC[NH+]3CCCC3)sc21 ZINC000005025929 559230273 /nfs/dbraw/zinc/23/02/73/559230273.db2.gz GIUZJWUZXLOLKB-UHFFFAOYSA-N 1 0 402.951 4.171 50 0 aggregator HIAARO CCOCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000005043269 559236188 /nfs/dbraw/zinc/23/61/88/559236188.db2.gz FBXIPRKDBASDNK-UHFFFAOYSA-N 1 0 419.953 4.058 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@](O)(c1ccco1)C(F)(F)F ZINC000248117176 559264074 /nfs/dbraw/zinc/26/40/74/559264074.db2.gz SXMWZEAPKSSKDA-IERDGZPVSA-N 1 0 424.463 4.110 50 0 HIAARO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCN(c4ccc(O)cc4)CC3)ccc2c1 ZINC000055359864 559273861 /nfs/dbraw/zinc/27/38/61/559273861.db2.gz QXQBUQJHCQBRHV-UHFFFAOYSA-N 1 0 414.509 4.266 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000046615717 560559579 /nfs/dbraw/zinc/55/95/79/560559579.db2.gz XYRCZVNVNFDVGA-AUSIDOKSSA-N 1 0 419.569 4.268 50 0 HIAARO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)CC2)c1 ZINC000061997530 560565005 /nfs/dbraw/zinc/56/50/05/560565005.db2.gz DUJXNMSRDCOORC-HLMLHLEXSA-N 1 0 422.569 4.052 50 0 HIAARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)CC2)c1 ZINC000061997531 560565020 /nfs/dbraw/zinc/56/50/20/560565020.db2.gz DUJXNMSRDCOORC-MWXBQQNOSA-N 1 0 422.569 4.052 50 0 HIAARO CCOC(=O)C1CC[NH+](Cc2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000005644421 560636172 /nfs/dbraw/zinc/63/61/72/560636172.db2.gz RDUCLUVEYHUSEI-UHFFFAOYSA-N 1 0 400.544 4.392 50 0 HIAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H](CC(C)C)n1cccc1 ZINC000409413792 560723232 /nfs/dbraw/zinc/72/32/32/560723232.db2.gz DDYLPGPVQJKJDT-YTFSRNRJSA-N 1 0 403.611 4.205 50 0 HIAARO Cc1noc(C)c1COc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000005704800 560802742 /nfs/dbraw/zinc/80/27/42/560802742.db2.gz PSJPOLAERIYCAT-OAQYLSRUSA-N 1 0 409.486 4.030 50 0 HIAARO C[NH+]1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccc(C(C)(C)C)cc3)nn12 ZINC000101892667 560804455 /nfs/dbraw/zinc/80/44/55/560804455.db2.gz TUAFDDBEWOZALU-UHFFFAOYSA-N 1 0 415.541 4.074 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@H+]([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000103683575 560843861 /nfs/dbraw/zinc/84/38/61/560843861.db2.gz VWIIVWRQISAIDK-LLGFUMIMSA-N 1 0 406.979 4.338 50 0 HIAARO CCc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000024556217 560845631 /nfs/dbraw/zinc/84/56/31/560845631.db2.gz QEAUOQHBPFSLFR-FQEVSTJZSA-N 1 0 412.534 4.202 50 0 HIAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000106138212 560884881 /nfs/dbraw/zinc/88/48/81/560884881.db2.gz LQYLSUJUDQULDL-FAKFISEUSA-N 1 0 422.573 4.032 50 0 HIAARO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000010435696 568416263 /nfs/dbraw/zinc/41/62/63/568416263.db2.gz ZGNIBVWZSXAZMH-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000048237340 568433124 /nfs/dbraw/zinc/43/31/24/568433124.db2.gz FAIYCZNUXDXWTM-MRXNPFEDSA-N 1 0 416.591 4.221 50 0 HIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000048310174 568436568 /nfs/dbraw/zinc/43/65/68/568436568.db2.gz NIMVNEHCJCOTIC-ROUUACIJSA-N 1 0 412.578 4.094 50 0 HIAARO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000048299420 568437132 /nfs/dbraw/zinc/43/71/32/568437132.db2.gz ILXJGUHJOVVCBY-UHFFFAOYSA-N 1 0 404.986 4.228 50 0 HIAARO COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000006737438 568458824 /nfs/dbraw/zinc/45/88/24/568458824.db2.gz PBZRJMHQHYYJNS-UHFFFAOYSA-N 1 0 410.905 4.254 50 0 HIAARO COc1cc(Br)c(CNC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022771271 568499498 /nfs/dbraw/zinc/49/94/98/568499498.db2.gz YOIOORCYSGOSIS-UHFFFAOYSA-N 1 0 419.363 4.221 50 0 HIAARO CCc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)[NH+](C)C)cc1 ZINC000022870586 568500385 /nfs/dbraw/zinc/50/03/85/568500385.db2.gz MNDRABJFMRWTBO-OAQYLSRUSA-N 1 0 424.976 4.488 50 0 HIAARO Cc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2ccco2)cc1Cl ZINC000020107652 568588099 /nfs/dbraw/zinc/58/80/99/568588099.db2.gz SJZCEWYOQRPVRN-UHFFFAOYSA-N 1 0 421.010 4.078 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N(C)C3CCCCC3)cc12 ZINC000020153679 568590897 /nfs/dbraw/zinc/59/08/97/568590897.db2.gz STMWMHVJBKKWTD-UHFFFAOYSA-N 1 0 411.619 4.256 50 0 HIAARO CCCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095394970 568604379 /nfs/dbraw/zinc/60/43/79/568604379.db2.gz LAJSZAMVVQHYPZ-UHFFFAOYSA-N 1 0 416.949 4.288 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CN(Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(O)cc1 ZINC000095459853 568620041 /nfs/dbraw/zinc/62/00/41/568620041.db2.gz YHMVWKHKFFSNCZ-QFIPXVFZSA-N 1 0 420.557 4.161 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccncc1 ZINC000095462616 568621564 /nfs/dbraw/zinc/62/15/64/568621564.db2.gz BSMDTOCIKMVARC-XMSQKQJNSA-N 1 0 408.527 4.401 50 0 HIAARO C[NH+](C)CCCn1cnc2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc21 ZINC000095475219 568629840 /nfs/dbraw/zinc/62/98/40/568629840.db2.gz PHLHCBJDFJVFQI-UHFFFAOYSA-N 1 0 403.530 4.431 50 0 HIAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)Nc1cccc2ccccc21 ZINC000095478229 568631424 /nfs/dbraw/zinc/63/14/24/568631424.db2.gz RURUEZYWHGOECQ-UHFFFAOYSA-N 1 0 406.482 4.187 50 0 HIAARO Cc1nc2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc2n1CCC[NH+](C)C ZINC000095478636 568631957 /nfs/dbraw/zinc/63/19/57/568631957.db2.gz BKQWVCJSMUSINU-UHFFFAOYSA-N 1 0 403.530 4.349 50 0 HIAARO CC1=C2C[C@@H]3[C@H](CN4CC[NH+](C5CCCCC5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020611812 568637537 /nfs/dbraw/zinc/63/75/37/568637537.db2.gz DAYTVCRITHQGJC-SWXWDQRWSA-N 1 0 400.607 4.395 50 0 HIAARO CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762621 568642697 /nfs/dbraw/zinc/64/26/97/568642697.db2.gz DOFKULVNRMZKAN-UGKGYDQZSA-N 1 0 423.605 4.101 50 0 HIAARO CC(C)C[NH+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)CC(C)C ZINC000020925766 568651343 /nfs/dbraw/zinc/65/13/43/568651343.db2.gz JIOSGAIGSDNKPX-UHFFFAOYSA-N 1 0 419.541 4.118 50 0 HIAARO CCC[NH+](CCC)CCNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000020933728 568652241 /nfs/dbraw/zinc/65/22/41/568652241.db2.gz XETTYOKVRFHPQH-UHFFFAOYSA-N 1 0 407.562 4.132 50 0 HIAARO Cc1cccc(-n2ncc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c2-n2cccc2)c1 ZINC000020980166 568654413 /nfs/dbraw/zinc/65/44/13/568654413.db2.gz RWTSUPFTNFPNON-UHFFFAOYSA-N 1 0 419.573 4.356 50 0 HIAARO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1C(F)(F)F ZINC000225736695 568669678 /nfs/dbraw/zinc/66/96/78/568669678.db2.gz UVQRWHRWFPOSGO-KRWDZBQOSA-N 1 0 408.468 4.050 50 0 HIAARO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNc1cc(C[NH+](C)C)ccn1 ZINC000095992274 568677888 /nfs/dbraw/zinc/67/78/88/568677888.db2.gz NZQVOJUXNYHMGE-UHFFFAOYSA-N 1 0 414.351 4.320 50 0 HIAARO CCC(CC)(C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000096006289 568682570 /nfs/dbraw/zinc/68/25/70/568682570.db2.gz KDUUFKAKKOBAOQ-JOCHJYFZSA-N 1 0 414.977 4.281 50 0 HIAARO Cc1nn2c(ncc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2C)c1-c1cccc(C)c1 ZINC000021537903 568713015 /nfs/dbraw/zinc/71/30/15/568713015.db2.gz BJEXPFVOMMPRCZ-SFHVURJKSA-N 1 0 419.573 4.316 50 0 HIAARO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000229892742 568715732 /nfs/dbraw/zinc/71/57/32/568715732.db2.gz FFYYNQPIBDUSQY-JHMXWDHMSA-N 1 0 420.553 4.170 50 0 HIAARO CCOC(=O)c1nc2ccccc2c(NCC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000021645255 568728112 /nfs/dbraw/zinc/72/81/12/568728112.db2.gz MYYULQPKYUJMEO-UHFFFAOYSA-N 1 0 422.504 4.270 50 0 HIAARO Cc1ccc(CN2c3ccccc3OC[C@@H]2CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000096323073 568731379 /nfs/dbraw/zinc/73/13/79/568731379.db2.gz YICLHKMFRLPSGU-QHCPKHFHSA-N 1 0 421.585 4.145 50 0 HIAARO Fc1ccc(Cn2nc(C[NH2+]C[C@@H]3CCCO3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000247538562 568745389 /nfs/dbraw/zinc/74/53/89/568745389.db2.gz RJFGMOOWCGFVPX-SFHVURJKSA-N 1 0 400.885 4.055 50 0 HIAARO OCCCC[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000247795187 568745687 /nfs/dbraw/zinc/74/56/87/568745687.db2.gz QSXVWQXVUQTYCQ-UHFFFAOYSA-N 1 0 405.329 4.162 50 0 HIAARO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248172896 568747940 /nfs/dbraw/zinc/74/79/40/568747940.db2.gz TXXLXXUGEWCCMM-SFHVURJKSA-N 1 0 406.530 4.477 50 0 HIAARO CC(C)(CO)[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000248172061 568748026 /nfs/dbraw/zinc/74/80/26/568748026.db2.gz SORZJOFWLSEOPY-UHFFFAOYSA-N 1 0 405.329 4.161 50 0 HIAARO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248180532 568748235 /nfs/dbraw/zinc/74/82/35/568748235.db2.gz YJIWVJFFNPGFHR-GOSISDBHSA-N 1 0 406.530 4.477 50 0 HIAARO Clc1cccc(-c2noc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c32)c1 ZINC000021714598 568748915 /nfs/dbraw/zinc/74/89/15/568748915.db2.gz UFYSRKXJCWJLEH-UHFFFAOYSA-N 1 0 405.889 4.260 50 0 HIAARO CC[C@@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907786 568815284 /nfs/dbraw/zinc/81/52/84/568815284.db2.gz KWJAZTNSKVNVEC-NHCUHLMSSA-N 1 0 406.364 4.193 50 0 HIAARO Clc1ccc(Cn2nc(C[NH2+]CCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261491694 568820194 /nfs/dbraw/zinc/82/01/94/568820194.db2.gz CYTUKTYKZGACGL-UHFFFAOYSA-N 1 0 419.916 4.210 50 0 HIAARO CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCC[NH+](CC)CC)ccc32)cc1 ZINC000003022120 568840393 /nfs/dbraw/zinc/84/03/93/568840393.db2.gz YEYIPWIXJJZLJO-UHFFFAOYSA-N 1 0 408.546 4.194 50 0 HIAARO COc1ccc(-c2c(C)oc3cc(OC[C@H](O)C[NH+]4CCCCC4)ccc3c2=O)cc1 ZINC000003227712 568864377 /nfs/dbraw/zinc/86/43/77/568864377.db2.gz SMGPONMGGHRGOD-LJQANCHMSA-N 1 0 423.509 4.003 50 0 HIAARO Cc1nc(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012706063 568917382 /nfs/dbraw/zinc/91/73/82/568917382.db2.gz UKNPLKOWTYTZEC-SFHVURJKSA-N 1 0 405.995 4.061 50 0 HIAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012759965 568944071 /nfs/dbraw/zinc/94/40/71/568944071.db2.gz SPCMYIQJQNQRHL-INIZCTEOSA-N 1 0 413.880 4.447 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3nccc3C)cc2)[NH+]2CCCCC2)cc1 ZINC000008156547 568978003 /nfs/dbraw/zinc/97/80/03/568978003.db2.gz NRAQSDSQGRFDBW-XMMPIXPASA-N 1 0 418.541 4.146 50 0 HIAARO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012811631 568985426 /nfs/dbraw/zinc/98/54/26/568985426.db2.gz MWNIVHXYQLPIAK-UHFFFAOYSA-N 1 0 422.481 4.166 50 0 HIAARO Cc1ccc(-c2cccc(CN3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)c2)o1 ZINC000104325660 569008368 /nfs/dbraw/zinc/00/83/68/569008368.db2.gz SPQMMXOCOFCUMT-XMMPIXPASA-N 1 0 405.542 4.027 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000583652743 569009342 /nfs/dbraw/zinc/00/93/42/569009342.db2.gz MDEUSTZAXWTZGX-URXFXBBRSA-N 1 0 411.590 4.230 50 0 HIAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCCCC4)ccc3c2=O)c1 ZINC000001522234 569016480 /nfs/dbraw/zinc/01/64/80/569016480.db2.gz FLNHCFBECDJGOT-IBGZPJMESA-N 1 0 423.509 4.428 50 0 HIAARO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000012892567 569020268 /nfs/dbraw/zinc/02/02/68/569020268.db2.gz PJCRBDSQOQMWGE-GHTZIAJQSA-N 1 0 410.341 4.179 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccccc1)=N2 ZINC000035372517 569033851 /nfs/dbraw/zinc/03/38/51/569033851.db2.gz PXTHVRGXRQUVLW-UHFFFAOYSA-N 1 0 420.582 4.380 50 0 HIAARO Cc1cccc(NC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c1 ZINC000035598051 569045774 /nfs/dbraw/zinc/04/57/74/569045774.db2.gz NDEAFDCOVYYNFG-UHFFFAOYSA-N 1 0 401.514 4.356 50 0 HIAARO COc1ccc(NC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000035598050 569045812 /nfs/dbraw/zinc/04/58/12/569045812.db2.gz FMGSVWJJTMXKPB-UHFFFAOYSA-N 1 0 417.513 4.056 50 0 HIAARO CC(C)[N@H+](Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1)C[C@H]1CCCCO1 ZINC000241837544 569054855 /nfs/dbraw/zinc/05/48/55/569054855.db2.gz SKYWECYRVLCIIV-SIKLNZKXSA-N 1 0 419.610 4.385 50 0 HIAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000245311906 569055767 /nfs/dbraw/zinc/05/57/67/569055767.db2.gz QPJHFYHVBGKHGY-CAOCKLPOSA-N 1 0 408.542 4.310 50 0 HIAARO COc1cccc(-c2nc(CN3CCN(c4ccccc4)C[C@H]3C)c(C)o2)c1OC ZINC000244673715 569056097 /nfs/dbraw/zinc/05/60/97/569056097.db2.gz HUIPVCIKZONLCS-QGZVFWFLSA-N 1 0 407.514 4.378 50 0 HIAARO CCc1nc(C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769170 569057985 /nfs/dbraw/zinc/05/79/85/569057985.db2.gz WXDUFVIUTVKYOA-UHFFFAOYSA-N 1 0 412.965 4.040 50 0 HIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)c1OC ZINC000036097304 569090346 /nfs/dbraw/zinc/09/03/46/569090346.db2.gz ALYZNTDKURYIGJ-NRFANRHFSA-N 1 0 401.547 4.300 50 0 HIAARO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCC[NH+]1CCCCC1 ZINC000006704572 569094534 /nfs/dbraw/zinc/09/45/34/569094534.db2.gz HTQTZBLQPJBDLX-HXUWFJFHSA-N 1 0 419.525 4.021 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](C)O ZINC000036305554 569129507 /nfs/dbraw/zinc/12/95/07/569129507.db2.gz VLTOPQZICCZKLI-GOSISDBHSA-N 1 0 409.530 4.481 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3OC)C2)c1 ZINC000036341447 569141998 /nfs/dbraw/zinc/14/19/98/569141998.db2.gz UPYXWSPYVHXSIZ-QHCPKHFHSA-N 1 0 421.541 4.113 50 0 HIAARO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036345101 569143054 /nfs/dbraw/zinc/14/30/54/569143054.db2.gz WXSFSPGVSVVUIM-DEOSSOPVSA-N 1 0 405.542 4.413 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025552 569156337 /nfs/dbraw/zinc/15/63/37/569156337.db2.gz FMAZDZJKWFHGLT-UHFFFAOYSA-N 1 0 409.578 4.350 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000006873446 569162486 /nfs/dbraw/zinc/16/24/86/569162486.db2.gz VUELXODBIVAGIH-RPWUZVMVSA-N 1 0 410.558 4.386 50 0 HIAARO CCOC(=O)c1cccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000006877317 569163996 /nfs/dbraw/zinc/16/39/96/569163996.db2.gz FLVPSSNFUUQZCD-UHFFFAOYSA-N 1 0 421.541 4.166 50 0 HIAARO CSc1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000036389943 569165611 /nfs/dbraw/zinc/16/56/11/569165611.db2.gz OVTRDPWFOIPCMU-NRFANRHFSA-N 1 0 418.006 4.171 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000036397281 569169914 /nfs/dbraw/zinc/16/99/14/569169914.db2.gz DPQCPAIGYPDIGJ-CQSZACIVSA-N 1 0 404.967 4.014 50 0 HIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006923478 569182597 /nfs/dbraw/zinc/18/25/97/569182597.db2.gz USMHDRNUVIJNFF-HSZRJFAPSA-N 1 0 412.493 4.457 50 0 HIAARO C=Cc1ccc(C[N@@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)cc1 ZINC000065257944 569209898 /nfs/dbraw/zinc/20/98/98/569209898.db2.gz LPHSSBDWMYPOMS-UHFFFAOYSA-N 1 0 401.514 4.364 50 0 HIAARO CC[N@H+](CCCNC(=O)c1cn2ccnc(-c3ccccc3)c2n1)Cc1ccccc1 ZINC000065274541 569215209 /nfs/dbraw/zinc/21/52/09/569215209.db2.gz GVAUAJFWSJRSEO-UHFFFAOYSA-N 1 0 413.525 4.038 50 0 HIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000007127812 569224302 /nfs/dbraw/zinc/22/43/02/569224302.db2.gz SMIIMHWDHQDPEP-HSZRJFAPSA-N 1 0 419.492 4.044 50 0 HIAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C(C)C)CC1 ZINC000065322158 569224431 /nfs/dbraw/zinc/22/44/31/569224431.db2.gz MQSCBGGPDUHYSM-UHFFFAOYSA-N 1 0 405.546 4.007 50 0 HIAARO Cc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1-c1ccc(C)cc1 ZINC000007228299 569229618 /nfs/dbraw/zinc/22/96/18/569229618.db2.gz BKZDJDCFOQNREI-UHFFFAOYSA-N 1 0 421.570 4.211 50 0 HIAARO C[C@@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1)c1ccccc1 ZINC000065551485 569235065 /nfs/dbraw/zinc/23/50/65/569235065.db2.gz HUHDDNBMZOUJIA-WIYYLYMNSA-N 1 0 405.498 4.382 50 0 HIAARO Cn1ccnc1[C@@](O)(CC[NH2+]CCCCc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000170607113 569244465 /nfs/dbraw/zinc/24/44/65/569244465.db2.gz RXDARHCKOJJVQG-KRWDZBQOSA-N 1 0 424.294 4.479 50 0 HIAARO CCOc1cc(C[NH2+]CCc2nc(C)oc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000089990995 569271174 /nfs/dbraw/zinc/27/11/74/569271174.db2.gz FUTWILJCFYFPKB-UHFFFAOYSA-N 1 0 423.513 4.040 50 0 HIAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000252549235 569294022 /nfs/dbraw/zinc/29/40/22/569294022.db2.gz QXILAMJGDQEMIQ-UHFFFAOYSA-N 1 0 401.498 4.435 50 0 HIAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C[C@@H]1C ZINC000170652447 569295348 /nfs/dbraw/zinc/29/53/48/569295348.db2.gz PTPCKBINVHXRKO-RKSVPRLPSA-N 1 0 413.587 4.331 50 0 HIAARO C[C@H]1C[C@@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000170654899 569295460 /nfs/dbraw/zinc/29/54/60/569295460.db2.gz QEGOEQSOVOAAGH-LPHOPBHVSA-N 1 0 406.448 4.254 50 0 HIAARO CC[NH+](CC)CCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 ZINC000002229846 569317577 /nfs/dbraw/zinc/31/75/77/569317577.db2.gz YJMHNJAFONBEDT-UHFFFAOYSA-N 1 0 414.575 4.122 50 0 HIAARO CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002406330 569396156 /nfs/dbraw/zinc/39/61/56/569396156.db2.gz NKFMFZZSSQJCJO-QFIPXVFZSA-N 1 0 404.510 4.413 50 0 HIAARO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1 ZINC000078950481 569422016 /nfs/dbraw/zinc/42/20/16/569422016.db2.gz IUUFGAXJEPFSBV-SFHVURJKSA-N 1 0 400.592 4.029 50 0 HIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008893258 571142961 /nfs/dbraw/zinc/14/29/61/571142961.db2.gz BSCJGPGNNVCWPP-SFHVURJKSA-N 1 0 423.941 4.213 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000040103819 571164402 /nfs/dbraw/zinc/16/44/02/571164402.db2.gz MKIMHWNMZANAHR-UHFFFAOYSA-N 1 0 406.452 4.087 50 0 HIAARO CC(C)[C@@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)[NH+]1CCC(C)CC1 ZINC000040154277 571201533 /nfs/dbraw/zinc/20/15/33/571201533.db2.gz HLHRWIZLEXEHIF-OAQYLSRUSA-N 1 0 415.509 4.157 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-n2ccnc2C)ccn1)c1ccccc1Cl ZINC000069351577 571221980 /nfs/dbraw/zinc/22/19/80/571221980.db2.gz GYTJQBWYIQOWPO-OAQYLSRUSA-N 1 0 411.937 4.042 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(N2CCCC2)c1)[NH+]1CCCC1 ZINC000069946286 571250720 /nfs/dbraw/zinc/25/07/20/571250720.db2.gz LLDUBTKQLGRYAA-JOCHJYFZSA-N 1 0 408.546 4.254 50 0 HIAARO C[C@@H]1Sc2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2NC1=O ZINC000009591925 571271878 /nfs/dbraw/zinc/27/18/78/571271878.db2.gz FMXCFBITXVJRRI-INIZCTEOSA-N 1 0 401.576 4.038 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000009642658 571276043 /nfs/dbraw/zinc/27/60/43/571276043.db2.gz MYEDFTRSCQAFOE-UHFFFAOYSA-N 1 0 421.566 4.452 50 0 HIAARO CC(=O)c1cccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)c1 ZINC000009728085 571282657 /nfs/dbraw/zinc/28/26/57/571282657.db2.gz XHUVTUZCKALTIW-UHFFFAOYSA-N 1 0 402.498 4.103 50 0 HIAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000071850960 571303501 /nfs/dbraw/zinc/30/35/01/571303501.db2.gz RUJVOXLFRYNZDX-GOSISDBHSA-N 1 0 423.586 4.238 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(Cl)ccc1OC ZINC000014651159 571307555 /nfs/dbraw/zinc/30/75/55/571307555.db2.gz NRKUCJUBUZZNBR-UHFFFAOYSA-N 1 0 400.910 4.292 50 0 HIAARO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cnn(-c4ccccc4Cl)c3)[N@H+]3CCC[C@@]123 ZINC000011708847 845826943 /nfs/dbraw/zinc/82/69/43/845826943.db2.gz ZURSGDLQETVUQS-HYVJGQCMSA-N 1 0 410.949 4.206 50 0 HIAARO Cc1cccc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)c1 ZINC000012447850 845871416 /nfs/dbraw/zinc/87/14/16/845871416.db2.gz XZZPUDOHHIBLPF-UHFFFAOYSA-N 1 0 415.537 4.363 50 0 HIAARO CN(C)c1cccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1 ZINC000012449241 845871656 /nfs/dbraw/zinc/87/16/56/845871656.db2.gz LCWMUXSFTJGOBY-UHFFFAOYSA-N 1 0 413.993 4.433 50 0 HIAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000012467145 845873504 /nfs/dbraw/zinc/87/35/04/845873504.db2.gz DLALNUZXHSWZKB-QFIPXVFZSA-N 1 0 407.913 4.314 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000012716017 845885376 /nfs/dbraw/zinc/88/53/76/845885376.db2.gz XUSAQTJECLCXHC-UHFFFAOYSA-N 1 0 400.544 4.036 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000014986456 845997065 /nfs/dbraw/zinc/99/70/65/845997065.db2.gz QSYIBWRGFDWNKB-VABKMULXSA-N 1 0 424.585 4.326 50 0 HIAARO Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000014986030 845997130 /nfs/dbraw/zinc/99/71/30/845997130.db2.gz HNXXOMZLQAFCIW-VAWYXSNFSA-N 1 0 423.560 4.245 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000015003330 845999178 /nfs/dbraw/zinc/99/91/78/845999178.db2.gz LZICRJOZWCBDRV-SFHVURJKSA-N 1 0 421.463 4.088 50 0 HIAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000015075521 846006930 /nfs/dbraw/zinc/00/69/30/846006930.db2.gz KZFJZMQLSGHSRQ-UHFFFAOYSA-N 1 0 408.542 4.248 50 0 HIAARO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000019334607 846363333 /nfs/dbraw/zinc/36/33/33/846363333.db2.gz NSXDJHIHWXUXJL-RUZDIDTESA-N 1 0 420.601 4.121 50 0 HIAARO O=C1CC[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCN1Cc1cccc(F)c1 ZINC000020149231 846380934 /nfs/dbraw/zinc/38/09/34/846380934.db2.gz DDAWOSSOCPBDOG-OAQYLSRUSA-N 1 0 420.532 4.463 50 0 HIAARO Cc1cc(C(F)(F)F)nc(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)n1 ZINC000020211892 846382906 /nfs/dbraw/zinc/38/29/06/846382906.db2.gz WUYHCEXZLBRVSH-UHFFFAOYSA-N 1 0 401.392 4.272 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338624 846686328 /nfs/dbraw/zinc/68/63/28/846686328.db2.gz SVPXEQJNYSYJGU-QHCPKHFHSA-N 1 0 418.585 4.267 50 0 HIAARO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCCN(CCCc3ccccc3)C2)cn1 ZINC000023359641 846689109 /nfs/dbraw/zinc/68/91/09/846689109.db2.gz DRAFBFQQSZUWJP-QHCPKHFHSA-N 1 0 416.569 4.339 50 0 HIAARO COc1ccc(-c2ncc(CN3CCC[C@H]([N@@H+]4CCc5ccccc5C4)C3)cn2)cc1 ZINC000023361361 846690193 /nfs/dbraw/zinc/69/01/93/846690193.db2.gz SAMFYTMCPRPHKS-DEOSSOPVSA-N 1 0 414.553 4.175 50 0 HIAARO O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000098054777 852651294 /nfs/dbraw/zinc/65/12/94/852651294.db2.gz FSBSGBLKRUJPFI-KSLSASGISA-N 1 0 406.370 4.480 50 0 HIAARO O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229736963 853892450 /nfs/dbraw/zinc/89/24/50/853892450.db2.gz FSBSGBLKRUJPFI-MSNYOWOLSA-N 1 0 406.370 4.480 50 0 HIAARO O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229736968 853892667 /nfs/dbraw/zinc/89/26/67/853892667.db2.gz FSBSGBLKRUJPFI-SGFLJFKBSA-N 1 0 406.370 4.480 50 0 HIAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]C[C@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000299794837 854282069 /nfs/dbraw/zinc/28/20/69/854282069.db2.gz KWYCDBYTHUVISE-HSZRJFAPSA-N 1 0 407.558 4.293 50 0 HIAARO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3-c3nc(-c4ccncc4)no3)C2)o1 ZINC000575314374 948642057 /nfs/dbraw/zinc/64/20/57/948642057.db2.gz JEJWVPWDXRIPSF-IBGZPJMESA-N 1 0 402.454 4.353 50 0 HIAARO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3-c3nc(C4CCOCC4)no3)C2)o1 ZINC000575314287 948642349 /nfs/dbraw/zinc/64/23/49/948642349.db2.gz JGVIHUAKDPICRQ-LJQANCHMSA-N 1 0 409.486 4.185 50 0 HIAARO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1 ZINC000000642589 132229737 /nfs/dbraw/zinc/22/97/37/132229737.db2.gz INAAIJLSXJJHOZ-UHFFFAOYSA-N 1 0 424.508 4.231 50 0 in-vivo HIAARO C[NH+](C)CCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000002233315 132249980 /nfs/dbraw/zinc/24/99/80/132249980.db2.gz DDHSWYMREYWWRL-UHFFFAOYSA-N 1 0 410.591 4.082 50 0 HIAARO COc1cc(CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000002572970 132255563 /nfs/dbraw/zinc/25/55/63/132255563.db2.gz KQCFIVJMXCQTJA-UHFFFAOYSA-N 1 0 424.463 4.096 50 0 HIAARO O[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000004299577 132274393 /nfs/dbraw/zinc/27/43/93/132274393.db2.gz KULJWIMKNZHLIB-PMACEKPBSA-N 1 0 408.571 4.220 50 0 HIAARO Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2N2CC[NH+](C)CC2)s1 ZINC000007989171 132326656 /nfs/dbraw/zinc/32/66/56/132326656.db2.gz AMDZVRXUNIMXKB-UHFFFAOYSA-N 1 0 424.545 4.191 50 0 HIAARO O=C(Nc1cccc(N2CCC([NH2+]CCN3CCCc4ccccc43)CC2)c1)C1CC1 ZINC000012217488 132356849 /nfs/dbraw/zinc/35/68/49/132356849.db2.gz GWKPUHRKNOFFTL-UHFFFAOYSA-N 1 0 418.585 4.046 50 0 HIAARO CC[C@H]1CN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2S1 ZINC000033059348 132501807 /nfs/dbraw/zinc/50/18/07/132501807.db2.gz NVKNLBZDMSLTNW-NRFANRHFSA-N 1 0 409.599 4.158 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1 ZINC000025359026 520730829 /nfs/dbraw/zinc/73/08/29/520730829.db2.gz QCRMOFCXXJIBCG-GOSISDBHSA-N 1 0 405.498 4.349 50 0 HIAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000032716670 521034278 /nfs/dbraw/zinc/03/42/78/521034278.db2.gz PSYFDVKTDPDOMT-SFHVURJKSA-N 1 0 400.544 4.112 50 0 HIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000027420843 521273096 /nfs/dbraw/zinc/27/30/96/521273096.db2.gz WJUDWWRKRSPXNH-XMMPIXPASA-N 1 0 403.526 4.288 50 0 HIAARO CCOc1ccccc1NC(=O)c1sc(=S)n(CCC[NH+](CC)CC)c1N ZINC000032952264 521552296 /nfs/dbraw/zinc/55/22/96/521552296.db2.gz FHJBRCVJEKNXCL-UHFFFAOYSA-N 1 0 408.593 4.244 50 0 HIAARO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC1CCCC1 ZINC000045676562 522102238 /nfs/dbraw/zinc/10/22/38/522102238.db2.gz APXLITDZSQAKDD-UHFFFAOYSA-N 1 0 408.542 4.411 50 0 HIAARO COc1cc(C[NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)cc2c1OCCO2 ZINC000025361790 522462245 /nfs/dbraw/zinc/46/22/45/522462245.db2.gz FTOZAZFPDIGTIZ-GOSISDBHSA-N 1 0 402.560 4.091 50 0 HIAARO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc(Cl)c3)C2)c1 ZINC000032541218 524103525 /nfs/dbraw/zinc/10/35/25/524103525.db2.gz VEZQADMWGXQIGK-PKTZIBPZSA-N 1 0 413.993 4.214 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2cnn(-c3ccc(C)cc3)c2C)[NH+]2CCCC2)c1 ZINC000040052288 524160891 /nfs/dbraw/zinc/16/08/91/524160891.db2.gz QTHVZWYQTNLDQS-DEOSSOPVSA-N 1 0 418.541 4.065 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000040719840 525068709 /nfs/dbraw/zinc/06/87/09/525068709.db2.gz FWZNYUSSMVPGLR-UHFFFAOYSA-N 1 0 412.921 4.042 50 0 HIAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1C ZINC000040744731 525175553 /nfs/dbraw/zinc/17/55/53/525175553.db2.gz LOGGMZJDNAHHMZ-UHFFFAOYSA-N 1 0 419.554 4.133 50 0 HIAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc2ccccc21 ZINC000045301938 525209755 /nfs/dbraw/zinc/20/97/55/525209755.db2.gz ROIFGRRGAUQFGT-UHFFFAOYSA-N 1 0 401.554 4.489 50 0 HIAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000032974913 525839150 /nfs/dbraw/zinc/83/91/50/525839150.db2.gz RWGALOIQHSYVTL-UHFFFAOYSA-N 1 0 416.569 4.382 50 0 HIAARO CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032622745 526064456 /nfs/dbraw/zinc/06/44/56/526064456.db2.gz QSFPDNQEHQDKEI-HXUWFJFHSA-N 1 0 408.523 4.012 50 0 HIAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)c1 ZINC000040720682 526977920 /nfs/dbraw/zinc/97/79/20/526977920.db2.gz QIDDSUBNAHKFTM-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1-c1ccccc1 ZINC000032754898 527209664 /nfs/dbraw/zinc/20/96/64/527209664.db2.gz DIGOYSCNTFAJSU-UHFFFAOYSA-N 1 0 406.551 4.297 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cn2)CC1 ZINC000012613581 536423266 /nfs/dbraw/zinc/42/32/66/536423266.db2.gz QZLSKYGTIHLHOO-HSZRJFAPSA-N 1 0 418.566 4.306 50 0 HIAARO COc1ccc(/C=C\C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012492287 536611247 /nfs/dbraw/zinc/61/12/47/536611247.db2.gz PRHXVLIXWPKXNZ-YHYXMXQVSA-N 1 0 419.447 4.118 50 0 HIAARO O=C(COc1ccc(Br)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000724919 557072743 /nfs/dbraw/zinc/07/27/43/557072743.db2.gz SRAXIHWXKSTFIF-UHFFFAOYSA-N 1 0 403.320 4.453 50 0 HIAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000034683436 557386613 /nfs/dbraw/zinc/38/66/13/557386613.db2.gz MRJLTOWSUXHIMR-UHFFFAOYSA-N 1 0 407.539 4.463 50 0 HIAARO O=C(NCc1ccco1)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711116 557390380 /nfs/dbraw/zinc/39/03/80/557390380.db2.gz TYWRGVINWJOEPF-UXHICEINSA-N 1 0 410.464 4.480 50 0 HIAARO O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711119 557390495 /nfs/dbraw/zinc/39/04/95/557390495.db2.gz TYWRGVINWJOEPF-VQTJNVASSA-N 1 0 410.464 4.480 50 0 HIAARO CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc21 ZINC000002979199 557434666 /nfs/dbraw/zinc/43/46/66/557434666.db2.gz ZWJOSWADMBBFKV-NRFANRHFSA-N 1 0 406.526 4.367 50 0 HIAARO CCCC[NH+](CCCC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004425180 557554185 /nfs/dbraw/zinc/55/41/85/557554185.db2.gz KBZANDYJCWKRDD-JOCHJYFZSA-N 1 0 418.603 4.145 50 0 HIAARO COc1ccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 ZINC000004531314 557564112 /nfs/dbraw/zinc/56/41/12/557564112.db2.gz NXAREGDEQVKDSV-OAQYLSRUSA-N 1 0 405.440 4.364 50 0 HIAARO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCC(=O)NC1CCCCC1 ZINC000004670793 557579349 /nfs/dbraw/zinc/57/93/49/557579349.db2.gz ZWLMFWRHCAPDOF-UHFFFAOYSA-N 1 0 416.949 4.466 50 0 HIAARO CCn1c2ccccc2c2cc(CN3CCC[C@H]([NH+]4CCC(CO)CC4)C3)ccc21 ZINC000022851412 557839238 /nfs/dbraw/zinc/83/92/38/557839238.db2.gz RQMMNYBHVMGHRJ-QFIPXVFZSA-N 1 0 405.586 4.483 50 0 HIAARO CCOc1c(Cl)cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1Cl ZINC000010475414 558258226 /nfs/dbraw/zinc/25/82/26/558258226.db2.gz IJLZTNCMMVBMNL-UHFFFAOYSA-N 1 0 424.357 4.250 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[NH2+]CC2(N3CCCCC3)Cc3ccccc3C2)cc1 ZINC000019742692 558263060 /nfs/dbraw/zinc/26/30/60/558263060.db2.gz TVLYBSAFORSTCW-UHFFFAOYSA-N 1 0 416.569 4.198 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)CN1Cc1cccc2ccccc21 ZINC000022924501 558264541 /nfs/dbraw/zinc/26/45/41/558264541.db2.gz YECUPAKBBRBERX-ZCYQVOJMSA-N 1 0 401.554 4.017 50 0 HIAARO O=C(Cc1cc(F)cc(F)c1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000019745084 558265725 /nfs/dbraw/zinc/26/57/25/558265725.db2.gz IJSLUMKMQTXKRB-DEOSSOPVSA-N 1 0 422.475 4.259 50 0 HIAARO COc1cccc(CCC(=O)N(C)CC2CC[NH+](CCc3ccccc3OC)CC2)c1 ZINC000011699001 558270262 /nfs/dbraw/zinc/27/02/62/558270262.db2.gz ZLJXKFFHSINKMF-UHFFFAOYSA-N 1 0 424.585 4.050 50 0 HIAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccccc3)CC2)cc1OC ZINC000011782282 558274860 /nfs/dbraw/zinc/27/48/60/558274860.db2.gz UFXGDCNBPKOKTK-QFIPXVFZSA-N 1 0 422.569 4.055 50 0 HIAARO CCn1nc(C)c(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1C ZINC000011816041 558279546 /nfs/dbraw/zinc/27/95/46/558279546.db2.gz CIMZQUOUVJZWON-UHFFFAOYSA-N 1 0 424.589 4.189 50 0 HIAARO COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000019771428 558279922 /nfs/dbraw/zinc/27/99/22/558279922.db2.gz DVDGJCOMLGVBIO-UHFFFAOYSA-N 1 0 407.543 4.098 50 0 HIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000011816636 558280117 /nfs/dbraw/zinc/28/01/17/558280117.db2.gz MBYNPEDFPLCXQT-KNTRCKAVSA-N 1 0 401.514 4.271 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C/C(C)=C/c3ccco3)CC2)c1 ZINC000011838751 558285689 /nfs/dbraw/zinc/28/56/89/558285689.db2.gz YRLWQMGJCPWYNG-KNTRCKAVSA-N 1 0 424.541 4.471 50 0 HIAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)cc1C ZINC000011878987 558293240 /nfs/dbraw/zinc/29/32/40/558293240.db2.gz RVLAYBDZRUWONE-FQEVSTJZSA-N 1 0 411.546 4.334 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2ccc(F)cc2)C1 ZINC000011879936 558294457 /nfs/dbraw/zinc/29/44/57/558294457.db2.gz ZXXMAQOPOCLYAZ-OAQYLSRUSA-N 1 0 412.549 4.180 50 0 HIAARO CCc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019909391 558306082 /nfs/dbraw/zinc/30/60/82/558306082.db2.gz HRAAQMQXNSBCAS-AREMUKBSSA-N 1 0 416.565 4.478 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC000012020020 558309212 /nfs/dbraw/zinc/30/92/12/558309212.db2.gz MTRPPRCCPFDUBN-HXUWFJFHSA-N 1 0 410.558 4.321 50 0 HIAARO Cc1cc(C)n(CC[NH2+]Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000012048394 558313565 /nfs/dbraw/zinc/31/35/65/558313565.db2.gz GQCXRNZEYAGSGB-UHFFFAOYSA-N 1 0 418.472 4.373 50 0 HIAARO COC(=O)c1sc2nc(C[NH+]3CCCCC3)ccc2c1NC(=O)c1ccsc1 ZINC000012052590 558314655 /nfs/dbraw/zinc/31/46/55/558314655.db2.gz UUNQBBCWVQVXAO-UHFFFAOYSA-N 1 0 415.540 4.383 50 0 HIAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000020102886 558332393 /nfs/dbraw/zinc/33/23/93/558332393.db2.gz AMSNJSJODKOOEF-VMPITWQZSA-N 1 0 417.597 4.065 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000020109742 558335041 /nfs/dbraw/zinc/33/50/41/558335041.db2.gz AZACNPZCGAGACO-JRGCBEDISA-N 1 0 409.014 4.363 50 0 HIAARO Fc1ccc(-n2cccn2)c(C[NH2+][C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000020202196 558345954 /nfs/dbraw/zinc/34/59/54/558345954.db2.gz IIXBCEDWBSCOIC-GOSISDBHSA-N 1 0 419.426 4.184 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc(C)c(OC)cc3C)C2)CC1 ZINC000020233310 558350451 /nfs/dbraw/zinc/35/04/51/558350451.db2.gz RSMBRCQRAMTPBN-HSZRJFAPSA-N 1 0 423.601 4.107 50 0 HIAARO C[N@H+](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)c(=O)[nH]1)C1CCCCC1 ZINC000012209032 558353507 /nfs/dbraw/zinc/35/35/07/558353507.db2.gz SRLGOICCAWPAMN-UHFFFAOYSA-N 1 0 421.463 4.088 50 0 HIAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000012211352 558354082 /nfs/dbraw/zinc/35/40/82/558354082.db2.gz AAEVGUYFIUKOIH-QHCPKHFHSA-N 1 0 406.570 4.273 50 0 HIAARO O=C(c1coc2c1C(=O)CCC2)N1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000012245839 558361663 /nfs/dbraw/zinc/36/16/63/558361663.db2.gz XHAAZIRQSMZZHF-BPCMGAEPSA-N 1 0 418.537 4.439 50 0 HIAARO COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000020454129 558368102 /nfs/dbraw/zinc/36/81/02/558368102.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 1 0 404.558 4.322 50 0 HIAARO CSCCC[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012302139 558371755 /nfs/dbraw/zinc/37/17/55/558371755.db2.gz WXGVKYVKPYEINA-UHFFFAOYSA-N 1 0 408.999 4.237 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](C3CSCCSC3)C2)c(C)c1 ZINC000012302666 558372443 /nfs/dbraw/zinc/37/24/43/558372443.db2.gz WNMNHRFLMSWUBB-QGZVFWFLSA-N 1 0 408.633 4.283 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012306047 558374999 /nfs/dbraw/zinc/37/49/99/558374999.db2.gz LBNYBVCBFIWGGN-XBGMYJNYSA-N 1 0 416.525 4.449 50 0 HIAARO COCCNC(=O)c1cccc(OC2CC[NH+](C/C(C)=C/c3ccccc3)CC2)c1 ZINC000012373022 558390669 /nfs/dbraw/zinc/39/06/69/558390669.db2.gz YODKBZPGTCKUJN-LVZFUZTISA-N 1 0 408.542 4.010 50 0 HIAARO CC(C)/C=C/C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012387069 558395914 /nfs/dbraw/zinc/39/59/14/558395914.db2.gz FTLOXCSPZRVJJI-YHZGQTRVSA-N 1 0 410.602 4.086 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccc(Cl)cc1 ZINC000020729351 558405922 /nfs/dbraw/zinc/40/59/22/558405922.db2.gz MTGVPCRBVDBCIU-GOSISDBHSA-N 1 0 402.947 4.191 50 0 HIAARO Cc1cccc(C(=O)N(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012439546 558411086 /nfs/dbraw/zinc/41/10/86/558411086.db2.gz NQQSGISZQBPQHD-UHFFFAOYSA-N 1 0 419.491 4.436 50 0 HIAARO O=C(c1ccc(OC2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1)N1CCCC1 ZINC000012453252 558416334 /nfs/dbraw/zinc/41/63/34/558416334.db2.gz QEGAPPCUUQJEPT-UHFFFAOYSA-N 1 0 403.526 4.447 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](CCCn4cccn4)C3)cc2)c1 ZINC000012453762 558416616 /nfs/dbraw/zinc/41/66/16/558416616.db2.gz KNSJONRHRWFWHY-JOCHJYFZSA-N 1 0 418.541 4.300 50 0 HIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)Cc1cccc(C)c1 ZINC000012571481 558429328 /nfs/dbraw/zinc/42/93/28/558429328.db2.gz DJGUUGYPIUVWOY-UHFFFAOYSA-N 1 0 412.549 4.064 50 0 HIAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012575317 558430609 /nfs/dbraw/zinc/43/06/09/558430609.db2.gz CMQQSRBELGMVKH-KPKJPENVSA-N 1 0 400.526 4.415 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000012581368 558432667 /nfs/dbraw/zinc/43/26/67/558432667.db2.gz MRAJGARACRFVBI-UHFFFAOYSA-N 1 0 413.562 4.134 50 0 HIAARO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000012585073 558433820 /nfs/dbraw/zinc/43/38/20/558433820.db2.gz RSLZHWWHEZQROR-UHFFFAOYSA-N 1 0 424.610 4.398 50 0 HIAARO O=C(c1cccs1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012588418 558434936 /nfs/dbraw/zinc/43/49/36/558434936.db2.gz SSSTYOQEVBKLBL-HSZRJFAPSA-N 1 0 424.610 4.249 50 0 HIAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000012596148 558437694 /nfs/dbraw/zinc/43/76/94/558437694.db2.gz CASJSJBKUUPHPJ-QGZVFWFLSA-N 1 0 410.543 4.320 50 0 HIAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc4c3OCO4)[N@@H+]3CCC[C@@]123 ZINC000012705161 558449557 /nfs/dbraw/zinc/44/95/57/558449557.db2.gz LXARYQVNOADPCM-NVVBAYIOSA-N 1 0 410.901 4.007 50 0 HIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ncsc4c3)nc2c1 ZINC000004359361 558451400 /nfs/dbraw/zinc/45/14/00/558451400.db2.gz KASKRFQDIVXDHY-UHFFFAOYSA-N 1 0 412.540 4.123 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710555 558452091 /nfs/dbraw/zinc/45/20/91/558452091.db2.gz WGHOSQXTGHOJQQ-OAQYLSRUSA-N 1 0 412.574 4.099 50 0 HIAARO C[NH+](C)CCCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2s1 ZINC000005239849 558453217 /nfs/dbraw/zinc/45/32/17/558453217.db2.gz LLXYWFDSTRBIAB-UHFFFAOYSA-N 1 0 407.495 4.001 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]C[C@@H]3CC(=O)N(C4CC4)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012715486 558454907 /nfs/dbraw/zinc/45/49/07/558454907.db2.gz DWSZISYUMDCZMV-FQEVSTJZSA-N 1 0 414.553 4.257 50 0 HIAARO C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000004359792 558457050 /nfs/dbraw/zinc/45/70/50/558457050.db2.gz VXDVYNTYCUOAKI-UHFFFAOYSA-N 1 0 403.935 4.313 50 0 HIAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000012746620 558458434 /nfs/dbraw/zinc/45/84/34/558458434.db2.gz AACZDJSOINNBGM-RUZDIDTESA-N 1 0 413.558 4.310 50 0 HIAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000012748796 558458806 /nfs/dbraw/zinc/45/88/06/558458806.db2.gz VLXFPBKFDJXSQX-NRFANRHFSA-N 1 0 424.566 4.278 50 0 HIAARO CC1(C)CC(NC(=O)c2cc(Br)c(Br)s2)CC(C)(C)[NH2+]1 ZINC000010813235 558460344 /nfs/dbraw/zinc/46/03/44/558460344.db2.gz WUJPRFNQWVWEBB-UHFFFAOYSA-N 1 0 424.202 4.312 50 0 HIAARO COc1cc(C(=O)NC[C@H](C(C)C)[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000023098463 558534333 /nfs/dbraw/zinc/53/43/33/558534333.db2.gz VAQCIGJRFXSRTJ-LJQANCHMSA-N 1 0 404.938 4.244 50 0 HIAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000023128617 558536328 /nfs/dbraw/zinc/53/63/28/558536328.db2.gz HACPLZFFGBVWHX-QHCPKHFHSA-N 1 0 410.949 4.147 50 0 HIAARO CC(=O)c1ccc(C(=O)NCC2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)cc1 ZINC000023129325 558536941 /nfs/dbraw/zinc/53/69/41/558536941.db2.gz NUZJYCGQBNLFEP-UHFFFAOYSA-N 1 0 412.533 4.289 50 0 HIAARO COCCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000013722576 558582745 /nfs/dbraw/zinc/58/27/45/558582745.db2.gz FVCFVAIPJFQIMA-UHFFFAOYSA-N 1 0 408.336 4.471 50 0 HIAARO COCCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000013722358 558582756 /nfs/dbraw/zinc/58/27/56/558582756.db2.gz HZOOZPUDYCPOBH-UHFFFAOYSA-N 1 0 412.299 4.302 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccc(F)cc1Cl ZINC000013727802 558585184 /nfs/dbraw/zinc/58/51/84/558585184.db2.gz CFEUAHPHLPSXBO-UHFFFAOYSA-N 1 0 420.912 4.169 50 0 HIAARO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000024928083 558621154 /nfs/dbraw/zinc/62/11/54/558621154.db2.gz HVXAWMUFCZZSCF-FQEVSTJZSA-N 1 0 409.917 4.318 50 0 HIAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CCc1nc3ccccc3s1)c1ccccc1O2 ZINC000014240662 558643487 /nfs/dbraw/zinc/64/34/87/558643487.db2.gz AVSKLOQMUWJPJU-IBGZPJMESA-N 1 0 421.566 4.333 50 0 HIAARO C[C@@H]([NH2+]CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000014242561 558645118 /nfs/dbraw/zinc/64/51/18/558645118.db2.gz AEPLNOSEDSRMRQ-HXUWFJFHSA-N 1 0 419.594 4.333 50 0 HIAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014732708 558665928 /nfs/dbraw/zinc/66/59/28/558665928.db2.gz IBXWTQONJYQHEL-NRFANRHFSA-N 1 0 419.569 4.327 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccc(F)c(Cl)c1 ZINC000014880407 558675882 /nfs/dbraw/zinc/67/58/82/558675882.db2.gz DMWKPHIXISIQBH-LJQANCHMSA-N 1 0 416.924 4.423 50 0 HIAARO CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027747526 558681684 /nfs/dbraw/zinc/68/16/84/558681684.db2.gz JMEUGNXCPMEOFK-VXKWHMMOSA-N 1 0 414.521 4.335 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)n1 ZINC000028290526 558696691 /nfs/dbraw/zinc/69/66/91/558696691.db2.gz RJWYGKCXUIMCDW-QGZVFWFLSA-N 1 0 404.967 4.117 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)n1 ZINC000028290517 558696711 /nfs/dbraw/zinc/69/67/11/558696711.db2.gz JTXKRWUXWHPPII-INIZCTEOSA-N 1 0 406.983 4.182 50 0 HIAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000015065070 558708073 /nfs/dbraw/zinc/70/80/73/558708073.db2.gz AXKMXKMEXACRQM-UHFFFAOYSA-N 1 0 420.517 4.076 50 0 HIAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000015065486 558708343 /nfs/dbraw/zinc/70/83/43/558708343.db2.gz NOMIXZPVTFRSFA-XMMPIXPASA-N 1 0 418.541 4.355 50 0 HIAARO CC1(CCC(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000015072913 558714017 /nfs/dbraw/zinc/71/40/17/558714017.db2.gz SDIQZKLSJSBSET-HXUWFJFHSA-N 1 0 423.523 4.399 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000029375533 558714430 /nfs/dbraw/zinc/71/44/30/558714430.db2.gz MLTVRWPQYKBTTI-UHFFFAOYSA-N 1 0 409.599 4.356 50 0 HIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000015076586 558716563 /nfs/dbraw/zinc/71/65/63/558716563.db2.gz KZJHKCPGILMPNN-NRFANRHFSA-N 1 0 404.558 4.432 50 0 HIAARO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000015590090 558745333 /nfs/dbraw/zinc/74/53/33/558745333.db2.gz BIEPNGHBWYBORL-FQEVSTJZSA-N 1 0 417.557 4.419 50 0 HIAARO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)s2)c1 ZINC000072301616 558751803 /nfs/dbraw/zinc/75/18/03/558751803.db2.gz FLZJUBUOACYFDY-QGZVFWFLSA-N 1 0 413.587 4.192 50 0 HIAARO CC[N@H+](Cc1ccc(S(C)(=O)=O)c(OC)c1)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072304908 558756683 /nfs/dbraw/zinc/75/66/83/558756683.db2.gz UMDFJSYHTNSUKY-NRFANRHFSA-N 1 0 401.572 4.250 50 0 HIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCC2)o1 ZINC000015860172 558757880 /nfs/dbraw/zinc/75/78/80/558757880.db2.gz MRAWUTVKFBHCIA-SFHVURJKSA-N 1 0 421.335 4.073 50 0 HIAARO CCCN(C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000072305983 558762462 /nfs/dbraw/zinc/76/24/62/558762462.db2.gz KCTUDDRADGFOCX-YADHBBJMSA-N 1 0 416.610 4.276 50 0 HIAARO COc1ccc(-c2nc(C[N@H+](C)C3CCN(Cc4cc(C)no4)CC3)cs2)cc1 ZINC000072308326 558770225 /nfs/dbraw/zinc/77/02/25/558770225.db2.gz FTIAWPMNDIXLKC-UHFFFAOYSA-N 1 0 412.559 4.212 50 0 HIAARO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Br)cc1 ZINC000016695395 558800846 /nfs/dbraw/zinc/80/08/46/558800846.db2.gz AJTZSXLFNJESAI-GFCCVEGCSA-N 1 0 419.241 4.284 50 0 HIAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016699064 558801305 /nfs/dbraw/zinc/80/13/05/558801305.db2.gz HJTSYAASQMOYNF-LJQANCHMSA-N 1 0 419.529 4.340 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3c4c(nc5ccccc53)CCC4)c(C)c2)CC1 ZINC000032978536 558803520 /nfs/dbraw/zinc/80/35/20/558803520.db2.gz GHUXNCFIKIUWHJ-UHFFFAOYSA-N 1 0 414.553 4.426 50 0 HIAARO Cc1nccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301053 558866522 /nfs/dbraw/zinc/86/65/22/558866522.db2.gz ZFDCVTKHWPRCNB-RUZDIDTESA-N 1 0 408.590 4.220 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C)c(F)c4)ccc3n2)CC1 ZINC000033084672 558869007 /nfs/dbraw/zinc/86/90/07/558869007.db2.gz SIVYASWABCRDKQ-UHFFFAOYSA-N 1 0 406.505 4.385 50 0 HIAARO O=C(c1ccc(F)c(F)c1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055042309 558870504 /nfs/dbraw/zinc/87/05/04/558870504.db2.gz TZIFVUOABZPQMS-IBGZPJMESA-N 1 0 419.903 4.045 50 0 HIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccnc1Cl ZINC000057541600 558889241 /nfs/dbraw/zinc/88/92/41/558889241.db2.gz LJMKKRFGBYTJTH-UHFFFAOYSA-N 1 0 406.917 4.310 50 0 HIAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)cc1OC ZINC000004678297 558889670 /nfs/dbraw/zinc/88/96/70/558889670.db2.gz VKCXYNQIJVABOG-UHFFFAOYSA-N 1 0 402.292 4.479 50 0 HIAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000004700168 558907830 /nfs/dbraw/zinc/90/78/30/558907830.db2.gz HPNRWIVKDFBAQV-UHFFFAOYSA-N 1 0 401.348 4.286 50 0 HIAARO C[C@@](O)(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000058297881 558917593 /nfs/dbraw/zinc/91/75/93/558917593.db2.gz ITMCSRBCSUKRDP-OAQYLSRUSA-N 1 0 421.463 4.199 50 0 HIAARO Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343572 558920817 /nfs/dbraw/zinc/92/08/17/558920817.db2.gz SVUDNOVACTXHMC-BJKOFHAPSA-N 1 0 402.542 4.000 50 0 HIAARO Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343575 558920858 /nfs/dbraw/zinc/92/08/58/558920858.db2.gz SVUDNOVACTXHMC-RPWUZVMVSA-N 1 0 402.542 4.000 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(CSC)nc2ccccc21)c1ccsc1 ZINC000058954634 558931045 /nfs/dbraw/zinc/93/10/45/558931045.db2.gz MXZNEYFAHIQWCD-IBGZPJMESA-N 1 0 416.616 4.160 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916011 558972064 /nfs/dbraw/zinc/97/20/64/558972064.db2.gz VRGVPCPFKVXJCS-QFIPXVFZSA-N 1 0 420.557 4.276 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000072418225 558978202 /nfs/dbraw/zinc/97/82/02/558978202.db2.gz GYUIGPQJRKAZAK-NRFANRHFSA-N 1 0 405.542 4.363 50 0 HIAARO COc1ccc(-n2cc(CN(C)[C@H]3CC[N@H+](C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421604 558978432 /nfs/dbraw/zinc/97/84/32/558978432.db2.gz SCJLOJJFXXNAEU-IBGZPJMESA-N 1 0 410.949 4.337 50 0 HIAARO Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576170 558979618 /nfs/dbraw/zinc/97/96/18/558979618.db2.gz PNZHAWYWOLWYAC-NHCUHLMSSA-N 1 0 405.542 4.111 50 0 HIAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCO[C@H](CCO)C2)CCC4)c1 ZINC000072454276 558982982 /nfs/dbraw/zinc/98/29/82/558982982.db2.gz HBIGWWNZTOLFIK-XMMPIXPASA-N 1 0 402.538 4.282 50 0 HIAARO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000067674468 558991264 /nfs/dbraw/zinc/99/12/64/558991264.db2.gz OYYIAZHHTXWXMC-IBGZPJMESA-N 1 0 422.598 4.385 50 0 HIAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023073061 558997923 /nfs/dbraw/zinc/99/79/23/558997923.db2.gz ANIOZVGTOILZGI-GOUWZUTHSA-N 1 0 423.041 4.296 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(F)(F)F)cc1 ZINC000095099725 559079321 /nfs/dbraw/zinc/07/93/21/559079321.db2.gz XYTSVISJPSYKGQ-HNNXBMFYSA-N 1 0 409.433 4.455 50 0 HIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000095352894 559079745 /nfs/dbraw/zinc/07/97/45/559079745.db2.gz KVOKXDREDVNLAG-GGXQVSFTSA-N 1 0 405.586 4.303 50 0 HIAARO O=C(c1ccc2ncccc2c1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095508589 559083495 /nfs/dbraw/zinc/08/34/95/559083495.db2.gz WTLFGDCNSGLGMJ-QPTUXGOLSA-N 1 0 401.485 4.076 50 0 HIAARO CCOc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)c1OCC ZINC000113399146 559180488 /nfs/dbraw/zinc/18/04/88/559180488.db2.gz NJCWQWFKVBKMRH-UHFFFAOYSA-N 1 0 418.335 4.455 50 0 HIAARO O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000004961487 559217587 /nfs/dbraw/zinc/21/75/87/559217587.db2.gz JITAUPFOCDNXBT-UHFFFAOYSA-N 1 0 400.404 4.009 50 0 HIAARO CCCC[N@H+](CCCNC(=O)c1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000004991456 559224792 /nfs/dbraw/zinc/22/47/92/559224792.db2.gz IXKWWFYAPLZNGQ-UHFFFAOYSA-N 1 0 407.558 4.236 50 0 HIAARO CC(C)Cc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000011812704 559260235 /nfs/dbraw/zinc/26/02/35/559260235.db2.gz UXPFKNIRSLWXQB-JOCHJYFZSA-N 1 0 410.558 4.422 50 0 HIAARO CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000252548777 559278496 /nfs/dbraw/zinc/27/84/96/559278496.db2.gz QKQJGCGHXVYPIF-DLBZAZTESA-N 1 0 409.596 4.037 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccccc3OC)nc21 ZINC000005256910 560550848 /nfs/dbraw/zinc/55/08/48/560550848.db2.gz DWMSRFMQSOMMRM-UHFFFAOYSA-N 1 0 419.934 4.175 50 0 HIAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000061997009 560568908 /nfs/dbraw/zinc/56/89/08/560568908.db2.gz HVWGZKYGLNJPGC-SWXWDQRWSA-N 1 0 412.549 4.406 50 0 HIAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C(C)C)cc2)N(CC[NH+](C)C)C1=O ZINC000005352346 560569259 /nfs/dbraw/zinc/56/92/59/560569259.db2.gz KFIRAUQPMJAQCX-QFIPXVFZSA-N 1 0 420.509 4.032 50 0 HIAARO C[NH+](C)CCCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 ZINC000005348929 560571060 /nfs/dbraw/zinc/57/10/60/560571060.db2.gz XKRPATCITJLXKG-FQEVSTJZSA-N 1 0 400.482 4.346 50 0 HIAARO COc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000003405853 560594159 /nfs/dbraw/zinc/59/41/59/560594159.db2.gz DIZXASLEXSDXGO-UHFFFAOYSA-N 1 0 416.827 4.447 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)cc1 ZINC000005512454 560601242 /nfs/dbraw/zinc/60/12/42/560601242.db2.gz YUCXZHIMALSDNR-FQEVSTJZSA-N 1 0 417.347 4.415 50 0 biogenic HIAARO Cc1ccc(-c2csc(C3=C(N)N(C4CC(C)(C)[NH2+]C(C)(C)C4)C(=O)C3)n2)cc1 ZINC000101608081 560797404 /nfs/dbraw/zinc/79/74/04/560797404.db2.gz QTUNRDMPKJRNPI-UHFFFAOYSA-N 1 0 410.587 4.287 50 0 HIAARO CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000013128849 560884838 /nfs/dbraw/zinc/88/48/38/560884838.db2.gz IFKMXSISMYVVDW-MRXNPFEDSA-N 1 0 418.868 4.036 50 0 HIAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032415 568424760 /nfs/dbraw/zinc/42/47/60/568424760.db2.gz NIUXOESNTILYNP-UHFFFAOYSA-N 1 0 412.559 4.229 50 0 HIAARO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000048237045 568433084 /nfs/dbraw/zinc/43/30/84/568433084.db2.gz PCMKHSHIQMIDNP-LSDHHAIUSA-N 1 0 415.347 4.126 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000048310176 568436528 /nfs/dbraw/zinc/43/65/28/568436528.db2.gz NIMVNEHCJCOTIC-QZTJIDSGSA-N 1 0 412.578 4.094 50 0 HIAARO C[NH+](C)CCn1cc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000048302693 568437755 /nfs/dbraw/zinc/43/77/55/568437755.db2.gz WOPIIZGJCXAFMK-UHFFFAOYSA-N 1 0 419.447 4.074 50 0 HIAARO CC(C)[C@H](C(=O)NCc1cc(Br)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000048303045 568437919 /nfs/dbraw/zinc/43/79/19/568437919.db2.gz ISPNHBJTQDPCND-GOSISDBHSA-N 1 0 407.377 4.210 50 0 HIAARO CCOc1ccc(OCC)c(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000048355084 568441356 /nfs/dbraw/zinc/44/13/56/568441356.db2.gz SBKJKINXEHTXTR-UHFFFAOYSA-N 1 0 411.546 4.267 50 0 HIAARO COc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000030988840 568501668 /nfs/dbraw/zinc/50/16/68/568501668.db2.gz MVVXZWSJDNRDLY-GOSISDBHSA-N 1 0 417.575 4.038 50 0 HIAARO CC[C@@H]1CN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2S1 ZINC000033059347 568510959 /nfs/dbraw/zinc/51/09/59/568510959.db2.gz NVKNLBZDMSLTNW-OAQYLSRUSA-N 1 0 409.599 4.158 50 0 HIAARO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1 ZINC000033324501 568513934 /nfs/dbraw/zinc/51/39/34/568513934.db2.gz XGULSPDFJPDSSQ-UHFFFAOYSA-N 1 0 411.531 4.176 50 0 HIAARO Cc1c(Cl)cccc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1ccco1 ZINC000020107786 568588138 /nfs/dbraw/zinc/58/81/38/568588138.db2.gz DAFBLLHXORXING-UHFFFAOYSA-N 1 0 421.010 4.078 50 0 HIAARO C/C(=C\c1ccccc1)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020114405 568589505 /nfs/dbraw/zinc/58/95/05/568589505.db2.gz RTSMOCHCYRRNKV-XDJHFCHBSA-N 1 0 400.526 4.337 50 0 HIAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000095397783 568604631 /nfs/dbraw/zinc/60/46/31/568604631.db2.gz STUZMMPVEPMLFH-MRXNPFEDSA-N 1 0 417.347 4.170 50 0 HIAARO COc1ccc([C@](O)(C(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446966 568608480 /nfs/dbraw/zinc/60/84/80/568608480.db2.gz CZTTXQZGPVVVHN-DHIUTWEWSA-N 1 0 403.950 4.308 50 0 HIAARO COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(Cc4cccnc4)CC3)ccc2c1 ZINC000095458264 568618921 /nfs/dbraw/zinc/61/89/21/568618921.db2.gz ZIMHMRMHXIPTCD-UHFFFAOYSA-N 1 0 417.553 4.157 50 0 HIAARO CCC(CC)(CO)NC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000095460777 568620467 /nfs/dbraw/zinc/62/04/67/568620467.db2.gz CRWPOLCDISRXPX-OAQYLSRUSA-N 1 0 405.583 4.139 50 0 HIAARO CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NCCC[NH+](CC)CC)C1=O ZINC000020533502 568629640 /nfs/dbraw/zinc/62/96/40/568629640.db2.gz VPQPXCQAWNXJCL-RELWKKBWSA-N 1 0 405.542 4.098 50 0 HIAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020678000 568639723 /nfs/dbraw/zinc/63/97/23/568639723.db2.gz QQJCQSNPSXBAHB-UHFFFAOYSA-N 1 0 419.573 4.145 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000020941421 568652537 /nfs/dbraw/zinc/65/25/37/568652537.db2.gz HRJGRMSMBWNZNH-LJQANCHMSA-N 1 0 412.578 4.434 50 0 HIAARO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945472 568663547 /nfs/dbraw/zinc/66/35/47/568663547.db2.gz OVCPNPRBEQLVDK-GHTZIAJQSA-N 1 0 402.583 4.028 50 0 HIAARO O=C(Nc1ccc(-c2nccs2)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000095946249 568663894 /nfs/dbraw/zinc/66/38/94/568663894.db2.gz YYOPJRYEGPFLGB-UHFFFAOYSA-N 1 0 414.575 4.166 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153448 568672756 /nfs/dbraw/zinc/67/27/56/568672756.db2.gz PWRMGHUYTDUMMX-ZDUSSCGKSA-N 1 0 418.563 4.066 50 0 HIAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000021175432 568676955 /nfs/dbraw/zinc/67/69/55/568676955.db2.gz NXXXZUNAABPZSL-QGZVFWFLSA-N 1 0 402.336 4.401 50 0 HIAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000021175030 568677074 /nfs/dbraw/zinc/67/70/74/568677074.db2.gz NMJUWPRLVARGDU-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCOc2ccc3ccc(=O)oc3c2)CC1 ZINC000096028222 568687085 /nfs/dbraw/zinc/68/70/85/568687085.db2.gz DMRGPZKLVLKVOC-UHFFFAOYSA-N 1 0 412.917 4.346 50 0 HIAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000229636887 568714934 /nfs/dbraw/zinc/71/49/34/568714934.db2.gz LQYLSUJUDQULDL-VLVHOKLOSA-N 1 0 422.573 4.032 50 0 HIAARO CCOC(=O)c1nc2onc(C)c2c(Nc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000021646247 568728094 /nfs/dbraw/zinc/72/80/94/568728094.db2.gz UQMQIYXAVLIOKR-UHFFFAOYSA-N 1 0 409.490 4.078 50 0 HIAARO Fc1ccc(Cn2nc(C[NH2+]C[C@H]3CCCO3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000247538558 568745398 /nfs/dbraw/zinc/74/53/98/568745398.db2.gz RJFGMOOWCGFVPX-GOSISDBHSA-N 1 0 400.885 4.055 50 0 HIAARO OCCCC[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000247759102 568745561 /nfs/dbraw/zinc/74/55/61/568745561.db2.gz GCPGFNRITKXGFN-UHFFFAOYSA-N 1 0 405.329 4.162 50 0 HIAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)c1 ZINC000247883198 568745908 /nfs/dbraw/zinc/74/59/08/568745908.db2.gz CONXVRDRFBNNFW-NRFANRHFSA-N 1 0 404.558 4.454 50 0 HIAARO CC(C)(CO)[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000248174006 568747991 /nfs/dbraw/zinc/74/79/91/568747991.db2.gz UQVOQFNQWRVHKB-UHFFFAOYSA-N 1 0 405.329 4.161 50 0 HIAARO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000248254487 568748155 /nfs/dbraw/zinc/74/81/55/568748155.db2.gz UCYSPCDRKFQJDV-GOSISDBHSA-N 1 0 408.521 4.293 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000012456891 568754512 /nfs/dbraw/zinc/75/45/12/568754512.db2.gz ZUANPRFMKGJCOD-UHFFFAOYSA-N 1 0 404.967 4.180 50 0 HIAARO CCOC(=O)c1oc2cc(-c3ccccc3)cc(OC[C@H](O)C[NH2+]C(C)C)c2c1C ZINC000096568886 568760914 /nfs/dbraw/zinc/76/09/14/568760914.db2.gz GNNIXLRGYKFEMD-LJQANCHMSA-N 1 0 411.498 4.323 50 0 HIAARO O=C(CCc1ccccc1F)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225630912 568777622 /nfs/dbraw/zinc/77/76/22/568777622.db2.gz TZOURJJLWZLECE-DEOSSOPVSA-N 1 0 424.560 4.431 50 0 HIAARO CC[C@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907787 568815316 /nfs/dbraw/zinc/81/53/16/568815316.db2.gz KWJAZTNSKVNVEC-RTWAWAEBSA-N 1 0 406.364 4.193 50 0 HIAARO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000056866348 568820002 /nfs/dbraw/zinc/82/00/02/568820002.db2.gz GHBWITJMAJYYHP-HNNXBMFYSA-N 1 0 409.452 4.262 50 0 HIAARO Clc1ccc(Cn2nc(C[NH2+]CCCn3ccnc3)c(-c3ccccc3)n2)cc1 ZINC000261492189 568820404 /nfs/dbraw/zinc/82/04/04/568820404.db2.gz UAMFFROCMRDZDF-UHFFFAOYSA-N 1 0 406.921 4.023 50 0 HIAARO Fc1ccccc1Cn1nc(C[NH2+]CCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492555 568820461 /nfs/dbraw/zinc/82/04/61/568820461.db2.gz IOEYRWZYZLWLKA-UHFFFAOYSA-N 1 0 417.488 4.086 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049140 568849791 /nfs/dbraw/zinc/84/97/91/568849791.db2.gz RNGNAUSXKRUDAO-IBGZPJMESA-N 1 0 411.571 4.319 50 0 HIAARO CCCC[N@H+](C)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000003053996 568851628 /nfs/dbraw/zinc/85/16/28/568851628.db2.gz ZAPFGTYMNZGNPR-LTGZKZEYSA-N 1 0 409.555 4.234 50 0 HIAARO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2-c2ccco2)C1 ZINC000299756729 568872811 /nfs/dbraw/zinc/87/28/11/568872811.db2.gz IHHCGOMNMXWPMG-GGAORHGYSA-N 1 0 408.542 4.186 50 0 HIAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)/C=C(/C)CCc3ccccc3)cc2)CC1 ZINC000058194027 568898949 /nfs/dbraw/zinc/89/89/49/568898949.db2.gz GSPWLLUUZXGQEL-QOCHGBHMSA-N 1 0 405.586 4.019 50 0 HIAARO Cc1oc2cc3oc(=O)c(CC(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)c(C)c3cc2c1C ZINC000004085602 568940348 /nfs/dbraw/zinc/94/03/48/568940348.db2.gz OAVPZLNCWSMFLU-UHFFFAOYSA-N 1 0 424.541 4.432 50 0 biogenic HIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000670459599 568946194 /nfs/dbraw/zinc/94/61/94/568946194.db2.gz CFGKCZFEZMHNPK-DEOSSOPVSA-N 1 0 402.542 4.279 50 0 HIAARO CCCC[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H](CC)c1ccccc1 ZINC000084744379 568957914 /nfs/dbraw/zinc/95/79/14/568957914.db2.gz JZXVSBCOXJJPAR-DEOSSOPVSA-N 1 0 421.585 4.448 50 0 HIAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc1COc1ccccc1 ZINC000015682086 568968561 /nfs/dbraw/zinc/96/85/61/568968561.db2.gz LNYZFAPTHJJSHZ-UHFFFAOYSA-N 1 0 405.498 4.055 50 0 HIAARO Cc1ccc(CN2c3ccccc3OC[C@H]2CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000085648815 569005516 /nfs/dbraw/zinc/00/55/16/569005516.db2.gz YXTGETPCTTYMST-HSZRJFAPSA-N 1 0 421.585 4.145 50 0 HIAARO O[C@H](COc1ccc(Cl)cc1Cl)Cn1cc[n+](Cc2ccccc2Cl)c1 ZINC000012848699 569010265 /nfs/dbraw/zinc/01/02/65/569010265.db2.gz BANQTZLERWYOFU-INIZCTEOSA-N 1 0 412.724 4.224 50 0 HIAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000015831707 569012377 /nfs/dbraw/zinc/01/23/77/569012377.db2.gz OISWPNBJSVPDNX-KRWDZBQOSA-N 1 0 402.336 4.135 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000012877986 569013830 /nfs/dbraw/zinc/01/38/30/569013830.db2.gz VHESVQNFQGGDGA-FQEVSTJZSA-N 1 0 416.949 4.459 50 0 HIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012918854 569022744 /nfs/dbraw/zinc/02/27/44/569022744.db2.gz FHHRRKLWAQTGMQ-ZWKOTPCHSA-N 1 0 402.494 4.438 50 0 HIAARO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989432 569025363 /nfs/dbraw/zinc/02/53/63/569025363.db2.gz YJWRXRFXIWIHSC-MLHJIOFPSA-N 1 0 413.260 4.315 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccccc1)=N2 ZINC000035372544 569033838 /nfs/dbraw/zinc/03/38/38/569033838.db2.gz OSVNNZWSJWODMM-UHFFFAOYSA-N 1 0 420.582 4.380 50 0 HIAARO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000006264151 569036158 /nfs/dbraw/zinc/03/61/58/569036158.db2.gz ZTDZZTLCWKCSGX-HXUWFJFHSA-N 1 0 410.624 4.038 50 0 HIAARO CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000222018519 569039752 /nfs/dbraw/zinc/03/97/52/569039752.db2.gz ZRAOIVLDVHSHPI-WOJBJXKFSA-N 1 0 410.965 4.280 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560165 569044915 /nfs/dbraw/zinc/04/49/15/569044915.db2.gz PXCPWPGZKSHZBQ-KRWDZBQOSA-N 1 0 410.949 4.342 50 0 HIAARO Cc1oc2c(c1C(=O)N1CC[C@]3(C1)CCC[N@H+](CCc1ccccc1)C3)C(=O)CCC2 ZINC000426368151 569072545 /nfs/dbraw/zinc/07/25/45/569072545.db2.gz BDIBNPNRMUGWMJ-AREMUKBSSA-N 1 0 420.553 4.278 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)cc1 ZINC000036031230 569080982 /nfs/dbraw/zinc/08/09/82/569080982.db2.gz WOWNIAOALOUPSJ-QHCPKHFHSA-N 1 0 419.521 4.474 50 0 HIAARO COc1cc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)cc(OC)c1 ZINC000036095133 569089886 /nfs/dbraw/zinc/08/98/86/569089886.db2.gz CRFOXPNYENHTMW-JOCHJYFZSA-N 1 0 401.547 4.130 50 0 HIAARO CC(C)CC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000006695641 569091601 /nfs/dbraw/zinc/09/16/01/569091601.db2.gz BITYTUYNHJJVBM-NRFANRHFSA-N 1 0 411.521 4.460 50 0 HIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1 ZINC000036104591 569092557 /nfs/dbraw/zinc/09/25/57/569092557.db2.gz OHYUMLHDTMRCHL-QFIPXVFZSA-N 1 0 405.494 4.166 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000169681304 569127404 /nfs/dbraw/zinc/12/74/04/569127404.db2.gz MNSBERTVXDNUAV-ZEQRLZLVSA-N 1 0 410.558 4.386 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)C1 ZINC000006806255 569130994 /nfs/dbraw/zinc/13/09/94/569130994.db2.gz KDXQGPFMMPTGGP-HDICACEKSA-N 1 0 414.619 4.384 50 0 HIAARO CC(C)[C@@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000006809485 569133568 /nfs/dbraw/zinc/13/35/68/569133568.db2.gz QOROKKITURMUGQ-FGZHOGPDSA-N 1 0 420.391 4.439 50 0 HIAARO CC(C)[C@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000006809486 569133582 /nfs/dbraw/zinc/13/35/82/569133582.db2.gz QOROKKITURMUGQ-YADHBBJMSA-N 1 0 420.391 4.439 50 0 HIAARO Cn1nc(C(=O)NCCC[NH+]2CCCCCC2)c2c1-c1cc(Cl)ccc1SC2 ZINC000064959639 569135399 /nfs/dbraw/zinc/13/53/99/569135399.db2.gz IYCFAABGXQCAQJ-UHFFFAOYSA-N 1 0 418.994 4.342 50 0 HIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)C1 ZINC000064968153 569137829 /nfs/dbraw/zinc/13/78/29/569137829.db2.gz SHMGZQDPTYJVMQ-LJQANCHMSA-N 1 0 405.542 4.465 50 0 HIAARO C[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000036344429 569142671 /nfs/dbraw/zinc/14/26/71/569142671.db2.gz URIWXZIOQSDGQX-JOCHJYFZSA-N 1 0 419.525 4.358 50 0 HIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1C ZINC000036345786 569143362 /nfs/dbraw/zinc/14/33/62/569143362.db2.gz KNUDPJUGWODUGB-HSZRJFAPSA-N 1 0 423.557 4.340 50 0 HIAARO Cn1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc(Cl)ccc21 ZINC000065060071 569163874 /nfs/dbraw/zinc/16/38/74/569163874.db2.gz ZUSRFWVDCSYYQI-UHFFFAOYSA-N 1 0 413.924 4.499 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877399 569164266 /nfs/dbraw/zinc/16/42/66/569164266.db2.gz GJCGQHRRHPIOEC-LJQANCHMSA-N 1 0 421.541 4.166 50 0 HIAARO Cc1c(C)n(C)c2ccc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006912113 569179030 /nfs/dbraw/zinc/17/90/30/569179030.db2.gz KNBZDIGEYVTVIL-UHFFFAOYSA-N 1 0 403.570 4.480 50 0 HIAARO CC1=C(C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)C2(CCCCCC2)OC1=O ZINC000006933801 569184625 /nfs/dbraw/zinc/18/46/25/569184625.db2.gz RZGAHATZUUZLKP-UHFFFAOYSA-N 1 0 412.574 4.370 50 0 biogenic HIAARO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4cccc(F)c4)cn3)C2)cc1 ZINC000065256971 569208511 /nfs/dbraw/zinc/20/85/11/569208511.db2.gz IFLOSXKKRDJUHY-JOCHJYFZSA-N 1 0 404.489 4.150 50 0 HIAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000065322470 569224606 /nfs/dbraw/zinc/22/46/06/569224606.db2.gz UJZYBRLKYPMEFU-UHFFFAOYSA-N 1 0 412.921 4.323 50 0 HIAARO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)c(OCC)c2)CC1 ZINC000170606076 569244328 /nfs/dbraw/zinc/24/43/28/569244328.db2.gz NMVNJIHTHDFXSN-UHFFFAOYSA-N 1 0 415.509 4.017 50 0 HIAARO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170614577 569247123 /nfs/dbraw/zinc/24/71/23/569247123.db2.gz ZMFPORHBLOOTLD-MOPGFXCFSA-N 1 0 405.464 4.310 50 0 HIAARO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616752 569247671 /nfs/dbraw/zinc/24/76/71/569247671.db2.gz LFSRMIGYHJCRRK-RTWAWAEBSA-N 1 0 424.969 4.066 50 0 HIAARO CC(C)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616751 569247678 /nfs/dbraw/zinc/24/76/78/569247678.db2.gz LFSRMIGYHJCRRK-SFTDATJTSA-N 1 0 424.969 4.066 50 0 HIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3c(C)c(C)ccc23)CC1 ZINC000013321665 569254885 /nfs/dbraw/zinc/25/48/85/569254885.db2.gz ZTEQCBMURCXKRB-UHFFFAOYSA-N 1 0 402.542 4.472 50 0 HIAARO CC(C)[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCC[C@@H]1O ZINC000089869659 569267610 /nfs/dbraw/zinc/26/76/10/569267610.db2.gz IXSQVEZGBODXMZ-RYUDHWBXSA-N 1 0 400.342 4.075 50 0 HIAARO C[N@@H+]1CCCN(c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2F)CC1 ZINC000252452493 569286308 /nfs/dbraw/zinc/28/63/08/569286308.db2.gz LPCNGWRYTYYOKE-IBGZPJMESA-N 1 0 402.539 4.398 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000007737054 569305013 /nfs/dbraw/zinc/30/50/13/569305013.db2.gz OAXKILFENRZGTH-UHFFFAOYSA-N 1 0 423.488 4.410 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195529531 569311978 /nfs/dbraw/zinc/31/19/78/569311978.db2.gz CFBVYNNDKVJNOH-RBSFLKMASA-N 1 0 406.933 4.069 50 0 HIAARO CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002234987 569321344 /nfs/dbraw/zinc/32/13/44/569321344.db2.gz XSRQIMOQWLNYJS-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCC[NH+](C)C)o2)cc1 ZINC000012419254 569401070 /nfs/dbraw/zinc/40/10/70/569401070.db2.gz ODDSDHZCYFQHQK-UHFFFAOYSA-N 1 0 413.543 4.155 50 0 HIAARO Cc1ccc(-c2nnc(CCC(=O)NCc3ccccc3C[NH+]3CCCCC3)o2)cc1 ZINC000007941530 569401877 /nfs/dbraw/zinc/40/18/77/569401877.db2.gz PAGFOGKTTGIDJD-UHFFFAOYSA-N 1 0 418.541 4.280 50 0 HIAARO CCC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000078869637 569420968 /nfs/dbraw/zinc/42/09/68/569420968.db2.gz SVAXMYVZZXPGMK-RTWAWAEBSA-N 1 0 404.551 4.092 50 0 HIAARO Cc1ccccc1C1(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000089689214 571047800 /nfs/dbraw/zinc/04/78/00/571047800.db2.gz SCYBOAMVUQGKCM-ISKFKSNPSA-N 1 0 420.597 4.460 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)[NH+](C)C)cc1 ZINC000008748373 571111495 /nfs/dbraw/zinc/11/14/95/571111495.db2.gz HVVQRMVNQIOSBC-HXUWFJFHSA-N 1 0 423.538 4.042 50 0 HIAARO C[NH+](C)CCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000039404185 571132158 /nfs/dbraw/zinc/13/21/58/571132158.db2.gz BVYDBHPZXCLXDX-UHFFFAOYSA-N 1 0 419.934 4.191 50 0 HIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000008927640 571160216 /nfs/dbraw/zinc/16/02/16/571160216.db2.gz IETKJQMBVTXXMS-MRXNPFEDSA-N 1 0 422.348 4.326 50 0 HIAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000040112300 571170429 /nfs/dbraw/zinc/17/04/29/571170429.db2.gz VZXMHHJYURUXFH-HXUWFJFHSA-N 1 0 402.542 4.093 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)c(C)c2)CC1 ZINC000040119555 571175540 /nfs/dbraw/zinc/17/55/40/571175540.db2.gz XKCFDIQPVFYKDK-UHFFFAOYSA-N 1 0 421.570 4.238 50 0 HIAARO Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009328212 571248329 /nfs/dbraw/zinc/24/83/29/571248329.db2.gz WQNRLAPUFROGHA-FQEVSTJZSA-N 1 0 410.901 4.170 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000009596717 571272397 /nfs/dbraw/zinc/27/23/97/571272397.db2.gz SLWJPEMKKUMZQO-UHFFFAOYSA-N 1 0 422.554 4.196 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1Cl ZINC000010333799 571300660 /nfs/dbraw/zinc/30/06/60/571300660.db2.gz JUQDBDDXSZBIDT-OAQYLSRUSA-N 1 0 409.917 4.159 50 0 HIAARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1cccc2ccccc21)[NH+](C)C ZINC000010335618 571300774 /nfs/dbraw/zinc/30/07/74/571300774.db2.gz DVQUZJDNLVUBLU-NRFANRHFSA-N 1 0 412.555 4.046 50 0 HIAARO O=C1CC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1CCOc1ccccc1 ZINC000012183633 845857764 /nfs/dbraw/zinc/85/77/64/845857764.db2.gz MGQYYGMXMFHROA-DEOSSOPVSA-N 1 0 406.570 4.401 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000012196077 845859689 /nfs/dbraw/zinc/85/96/89/845859689.db2.gz ZJDBIDJWQLJVAB-UHFFFAOYSA-N 1 0 411.509 4.476 50 0 HIAARO Cc1c(C(=O)N[C@H](C)c2ccc(Cl)cc2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012283606 845865608 /nfs/dbraw/zinc/86/56/08/845865608.db2.gz DSTISHWXHSEWJC-CYBMUJFWSA-N 1 0 417.966 4.118 50 0 HIAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCc3ccon3)cc2Cl)CC1 ZINC000012297202 845866046 /nfs/dbraw/zinc/86/60/46/845866046.db2.gz UUPLSSZWIGCLAP-UHFFFAOYSA-N 1 0 405.926 4.147 50 0 HIAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000012299167 845866221 /nfs/dbraw/zinc/86/62/21/845866221.db2.gz CZLUDYZUCHUPMI-OAQYLSRUSA-N 1 0 402.542 4.103 50 0 HIAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)[N@@H+]3CCC[C@@]123 ZINC000012313870 845867065 /nfs/dbraw/zinc/86/70/65/845867065.db2.gz JOJUGLXKHAXDGC-WXVUKLJWSA-N 1 0 424.928 4.049 50 0 HIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1 ZINC000012317228 845867088 /nfs/dbraw/zinc/86/70/88/845867088.db2.gz XINYPMBVQHFPJH-XMMPIXPASA-N 1 0 409.505 4.042 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccccc1N(C)C ZINC000012308538 845867116 /nfs/dbraw/zinc/86/71/16/845867116.db2.gz SNAMSBKDEHKKQT-NRFANRHFSA-N 1 0 411.565 4.309 50 0 HIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012433915 845869975 /nfs/dbraw/zinc/86/99/75/845869975.db2.gz SQJXGAZVGQRYPN-NRFANRHFSA-N 1 0 411.509 4.476 50 0 HIAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1)c1ccc2c(c1)OCO2 ZINC000012473065 845873046 /nfs/dbraw/zinc/87/30/46/845873046.db2.gz FEUPKKMVFXAYHF-GOSISDBHSA-N 1 0 418.493 4.317 50 0 HIAARO CCC1(CC)C[C@@H]1C(=O)N(CCOC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012580520 845877161 /nfs/dbraw/zinc/87/71/61/845877161.db2.gz GXAVJDQMMUANMU-OAQYLSRUSA-N 1 0 404.570 4.339 50 0 HIAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014532207 845957150 /nfs/dbraw/zinc/95/71/50/845957150.db2.gz BBDNHVZCLOVEJJ-UHFFFAOYSA-N 1 0 405.542 4.142 50 0 HIAARO COc1cc2nc(N(C)C)c(C[NH2+]C[C@H](C)c3ccccc3)cc2c(OC)c1OC ZINC000014883151 845989663 /nfs/dbraw/zinc/98/96/63/845989663.db2.gz XUEAYYUBGWWUIL-INIZCTEOSA-N 1 0 409.530 4.220 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000014955153 845994455 /nfs/dbraw/zinc/99/44/55/845994455.db2.gz IYTOASQJVXKXHS-JXMROGBWSA-N 1 0 420.553 4.488 50 0 HIAARO COCc1ccc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@H+](C)C4)n3)s2)o1 ZINC000014975708 845995436 /nfs/dbraw/zinc/99/54/36/845995436.db2.gz CTYFCYDZPWBRSO-INIZCTEOSA-N 1 0 415.563 4.008 50 0 HIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000015065142 846005670 /nfs/dbraw/zinc/00/56/70/846005670.db2.gz MQSDNDHMYKOEQT-SFHVURJKSA-N 1 0 402.454 4.334 50 0 HIAARO CSc1cccc(C[NH2+]Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c1 ZINC000019113175 846353826 /nfs/dbraw/zinc/35/38/26/846353826.db2.gz OEYOVKXLORCLTJ-UHFFFAOYSA-N 1 0 408.571 4.281 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc(OC)c1O ZINC000020205803 846382143 /nfs/dbraw/zinc/38/21/43/846382143.db2.gz YUIKTCLPGHJQAV-LJQANCHMSA-N 1 0 407.514 4.488 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3nc(-c4ccccc4)no3)C2)cc1 ZINC000023339156 846686531 /nfs/dbraw/zinc/68/65/31/846686531.db2.gz HRPNAJSVRMQDHA-OAQYLSRUSA-N 1 0 420.557 4.132 50 0 HIAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000039537169 848187088 /nfs/dbraw/zinc/18/70/88/848187088.db2.gz RAUZRVLHDCXBET-YADHBBJMSA-N 1 0 417.956 4.080 50 0 HIAARO OCCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043056972 848379762 /nfs/dbraw/zinc/37/97/62/848379762.db2.gz DFFYTEKFCBRMON-IBGZPJMESA-N 1 0 411.933 4.481 50 0 HIAARO CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CCN(Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174446 854232980 /nfs/dbraw/zinc/23/29/80/854232980.db2.gz HBVAZQXZLVCJBJ-KRWDZBQOSA-N 1 0 406.933 4.297 50 0 HIAARO COCC[NH+]1CCC2(CC1)CN(Cc1cc(Cl)ccc1F)Cc1ccccc1O2 ZINC000257185620 854233627 /nfs/dbraw/zinc/23/36/27/854233627.db2.gz JRJLRVMJQQSDTQ-UHFFFAOYSA-N 1 0 418.940 4.355 50 0 HIAARO COCC[NH+]1CCC2(CC1)CN(Cc1ccc(F)cc1Cl)Cc1ccccc1O2 ZINC000257194769 854234852 /nfs/dbraw/zinc/23/48/52/854234852.db2.gz UQJVZVCKJIBPQE-UHFFFAOYSA-N 1 0 418.940 4.355 50 0 HIAARO c1ccc(-c2noc(C[C@H]3CCOC4(CC[NH+](Cc5cccnc5)CC4)C3)n2)cc1 ZINC000257196397 854235626 /nfs/dbraw/zinc/23/56/26/854235626.db2.gz YDSMCQHYOBLZRD-LJQANCHMSA-N 1 0 404.514 4.136 50 0 HIAARO CC[C@@H]1C[N@H+](CCC(=O)N2CCCC[C@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761689 854280789 /nfs/dbraw/zinc/28/07/89/854280789.db2.gz MXWHHJVCLBFHQK-OFNKIYASSA-N 1 0 423.557 4.207 50 0 HIAARO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](Cc2nc(-c4ccncc4)no2)CCO3)o1 ZINC000575544599 948676640 /nfs/dbraw/zinc/67/66/40/948676640.db2.gz GRHZLLGTBZSAQT-GOSISDBHSA-N 1 0 408.502 4.037 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000575547003 948677520 /nfs/dbraw/zinc/67/75/20/948677520.db2.gz VTPMXHVIXAEXGY-FQEVSTJZSA-N 1 0 404.514 4.111 50 0 HIAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000001179486 132240721 /nfs/dbraw/zinc/24/07/21/132240721.db2.gz SHYDRNFKLCOXBN-UHFFFAOYSA-N 1 0 419.613 4.427 50 0 HIAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C)CC2)cc1 ZINC000001447753 132246262 /nfs/dbraw/zinc/24/62/62/132246262.db2.gz IRRXWWYTCBQYHK-UHFFFAOYSA-N 1 0 413.525 4.238 50 0 HIAARO COc1ccc(C[NH2+]C2CCN(c3cccc(NC(=O)c4cccnc4)c3)CC2)cc1 ZINC000011783902 132350542 /nfs/dbraw/zinc/35/05/42/132350542.db2.gz JXSRUBWVJQGDMA-UHFFFAOYSA-N 1 0 416.525 4.101 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000023224618 132479154 /nfs/dbraw/zinc/47/91/54/132479154.db2.gz JMEGAXKCNVPZTD-FQEVSTJZSA-N 1 0 409.357 4.002 50 0 HIAARO CC[NH+]1CCN(c2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848802 132803005 /nfs/dbraw/zinc/80/30/05/132803005.db2.gz QVMMRVWLRJUEAQ-UHFFFAOYSA-N 1 0 406.599 4.497 50 0 HIAARO CC(=O)Nc1ccc2c(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2c1 ZINC000032759534 519734331 /nfs/dbraw/zinc/73/43/31/519734331.db2.gz YPHJMUCCQOOMKE-DEOSSOPVSA-N 1 0 422.481 4.010 50 0 HIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1cccc(Cl)c1 ZINC000040737874 520711747 /nfs/dbraw/zinc/71/17/47/520711747.db2.gz GXXYDSDMOZLRMR-UHFFFAOYSA-N 1 0 416.949 4.420 50 0 HIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000032908709 521892532 /nfs/dbraw/zinc/89/25/32/521892532.db2.gz UWGDGGPLSBLBTO-UHFFFAOYSA-N 1 0 412.489 4.452 50 0 HIAARO C[NH2+]CCCNCc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040719981 521998002 /nfs/dbraw/zinc/99/80/02/521998002.db2.gz SLJMTZLRXRILQM-UHFFFAOYSA-N 1 0 407.352 4.044 50 0 HIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020541787 523404985 /nfs/dbraw/zinc/40/49/85/523404985.db2.gz BDDMKBPOKRJURF-UQPVFDRXSA-N 1 0 409.549 4.134 50 0 HIAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3cc4c(cc3nc1-c1ccc(F)cc1)OCO4)C2 ZINC000072417801 524031368 /nfs/dbraw/zinc/03/13/68/524031368.db2.gz XXMAQQFYIKMHSA-LEWJYISDSA-N 1 0 419.500 4.438 50 0 HIAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3csc(-c4ccco4)n3)cc2)C1 ZINC000032930097 524097163 /nfs/dbraw/zinc/09/71/63/524097163.db2.gz PHPMGHHJJJPCDN-KRWDZBQOSA-N 1 0 409.555 4.494 50 0 HIAARO C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032800719 524712288 /nfs/dbraw/zinc/71/22/88/524712288.db2.gz MKASPWRFSUMJOR-ZDUSSCGKSA-N 1 0 407.739 4.279 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000032930424 526221483 /nfs/dbraw/zinc/22/14/83/526221483.db2.gz KBIVCMDUVBETQL-UHFFFAOYSA-N 1 0 404.967 4.014 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cs1 ZINC000032931235 526912504 /nfs/dbraw/zinc/91/25/04/526912504.db2.gz WNQIMNXJIVQCFI-MRXNPFEDSA-N 1 0 403.617 4.376 50 0 HIAARO Cc1nc2scc(-c3ccccc3)c2c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000032760682 527207944 /nfs/dbraw/zinc/20/79/44/527207944.db2.gz WHRYQALWSUFTJV-HXUWFJFHSA-N 1 0 409.603 4.351 50 0 HIAARO FC(F)(F)c1nnc2ccc(NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)nn21 ZINC000032869530 527691631 /nfs/dbraw/zinc/69/16/31/527691631.db2.gz FGLPUQMHQQAWDX-CQSZACIVSA-N 1 0 410.831 4.046 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000004908538 535567514 /nfs/dbraw/zinc/56/75/14/535567514.db2.gz PONLLOHPKYCQOD-HXUWFJFHSA-N 1 0 413.562 4.152 50 0 HIAARO COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2 ZINC000000600324 557018672 /nfs/dbraw/zinc/01/86/72/557018672.db2.gz KCWGETCFOVJEPI-UHFFFAOYSA-N 1 0 424.610 4.474 50 0 investigational HIAARO COc1ccccc1[N+]1=C2CCCCCN2C[C@]1(O)c1ccc(Br)cc1 ZINC000000622764 557019981 /nfs/dbraw/zinc/01/99/81/557019981.db2.gz XAOOOEVVDSNYIF-NRFANRHFSA-N 1 0 416.339 4.108 50 0 HIAARO COc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1OC ZINC000000789382 557080678 /nfs/dbraw/zinc/08/06/78/557080678.db2.gz CWSWNOVHCWTWCR-UHFFFAOYSA-N 1 0 404.514 4.459 50 0 HIAARO NC(=O)c1ccc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)cc1 ZINC000071889324 557294314 /nfs/dbraw/zinc/29/43/14/557294314.db2.gz VLWVJBYLSSDOCO-XMMPIXPASA-N 1 0 419.569 4.083 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002419929 557346127 /nfs/dbraw/zinc/34/61/27/557346127.db2.gz KMSHCEISXOGTJK-HXUWFJFHSA-N 1 0 410.901 4.333 50 0 HIAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)c1ccccc1C(F)(F)F ZINC000002515244 557354049 /nfs/dbraw/zinc/35/40/49/557354049.db2.gz YKVSDIDSPHRJBV-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO Cc1cccc(C[NH+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)CC2)c1 ZINC000034675384 557363533 /nfs/dbraw/zinc/36/35/33/557363533.db2.gz DNOUDYKDXFRQFT-UHFFFAOYSA-N 1 0 424.508 4.168 50 0 HIAARO CC[NH+](CC)CCNC(=O)/C(=C/c1ccc(C(C)(C)C)cc1)NC(=O)c1ccccc1 ZINC000002677408 557366949 /nfs/dbraw/zinc/36/69/49/557366949.db2.gz IQJJMHGJILHQLM-NMWGTECJSA-N 1 0 421.585 4.213 50 0 HIAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000002734651 557373637 /nfs/dbraw/zinc/37/36/37/557373637.db2.gz LZVXMQSBBKKRHL-LJQANCHMSA-N 1 0 401.348 4.320 50 0 HIAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000034682798 557384972 /nfs/dbraw/zinc/38/49/72/557384972.db2.gz JFJNTQWZXMVIGL-UHFFFAOYSA-N 1 0 412.530 4.120 50 0 HIAARO c1coc(-c2nnc3c4ccccc4nc(N4CC[NH+](CC5CCCCC5)CC4)n23)c1 ZINC000034707968 557389178 /nfs/dbraw/zinc/38/91/78/557389178.db2.gz NKLCMJKWKPMYFB-UHFFFAOYSA-N 1 0 416.529 4.240 50 0 HIAARO COc1cccc([C@H]2C[N@H+](Cc3ccncc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740293 557443844 /nfs/dbraw/zinc/44/38/44/557443844.db2.gz NQCIRBLFTLMGGH-ILBGXUMGSA-N 1 0 423.601 4.446 50 0 HIAARO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1nc3ccccc3nc12 ZINC000004165100 557522985 /nfs/dbraw/zinc/52/29/85/557522985.db2.gz BBWOWTAOZSYKDB-IZZNHLLZSA-N 1 0 420.601 4.384 50 0 HIAARO CC(C)c1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Br)c1 ZINC000004178327 557525395 /nfs/dbraw/zinc/52/53/95/557525395.db2.gz OTTDLWFVHQYRDA-UHFFFAOYSA-N 1 0 411.384 4.377 50 0 HIAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000004664848 557578368 /nfs/dbraw/zinc/57/83/68/557578368.db2.gz GFRXZFCEZIIFSF-HZSPNIEDSA-N 1 0 401.288 4.099 50 0 HIAARO O=C(COc1ccc(Br)cc1C[NH2+]C1CCCC1)Nc1ccccc1 ZINC000005065038 557633595 /nfs/dbraw/zinc/63/35/95/557633595.db2.gz HFHQOEKSOSBYHA-UHFFFAOYSA-N 1 0 403.320 4.499 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(OC)c1 ZINC000022701018 557795365 /nfs/dbraw/zinc/79/53/65/557795365.db2.gz PRRMWLISMCHONW-QFIPXVFZSA-N 1 0 421.541 4.482 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@H](C(C)C)[NH+](C)C)c3ccccc3n2)cc1OC ZINC000022754774 557812991 /nfs/dbraw/zinc/81/29/91/557812991.db2.gz SJWIMTSJQAKJNZ-JOCHJYFZSA-N 1 0 421.541 4.235 50 0 HIAARO c1coc([C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCC2)c1 ZINC000022786077 557820395 /nfs/dbraw/zinc/82/03/95/557820395.db2.gz UBAXKYREVXTKQK-QHCPKHFHSA-N 1 0 413.525 4.454 50 0 HIAARO COCCN(Cc1c(F)cccc1F)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011763454 558273572 /nfs/dbraw/zinc/27/35/72/558273572.db2.gz IETMYCRIYJBUPT-UHFFFAOYSA-N 1 0 406.492 4.465 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c(C)c1 ZINC000011814338 558278806 /nfs/dbraw/zinc/27/88/06/558278806.db2.gz NIDCJZUACYCXBI-KRWDZBQOSA-N 1 0 418.969 4.330 50 0 HIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000011816986 558280426 /nfs/dbraw/zinc/28/04/26/558280426.db2.gz MNICZUNCGPNUTM-UHFFFAOYSA-N 1 0 409.505 4.259 50 0 HIAARO COc1ccc(C[NH+]2CCN(Cc3cccc(OC)c3OC)CC2)c2ccccc12 ZINC000019781670 558281114 /nfs/dbraw/zinc/28/11/14/558281114.db2.gz DMPKIRLIQNLDNR-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1n[nH]c2ccccc21 ZINC000011818915 558282257 /nfs/dbraw/zinc/28/22/57/558282257.db2.gz BIEOHVAIRCKHAW-LJQANCHMSA-N 1 0 408.521 4.119 50 0 HIAARO O=C(NCC1CCCCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011820452 558283934 /nfs/dbraw/zinc/28/39/34/558283934.db2.gz ZTUZWIRMODXTJC-UHFFFAOYSA-N 1 0 407.558 4.435 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cn1ncc2ccccc21 ZINC000011840499 558286611 /nfs/dbraw/zinc/28/66/11/558286611.db2.gz RRRUISDPFPENMR-FQEVSTJZSA-N 1 0 424.976 4.103 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(F)c1 ZINC000011873976 558291618 /nfs/dbraw/zinc/29/16/18/558291618.db2.gz BNRIYFSWLSQTQO-RUZDIDTESA-N 1 0 420.532 4.215 50 0 HIAARO Cc1cc(C)c(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1 ZINC000019908931 558306151 /nfs/dbraw/zinc/30/61/51/558306151.db2.gz YMFFTWYIYYNZQX-XMMPIXPASA-N 1 0 404.554 4.327 50 0 HIAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000019925172 558307645 /nfs/dbraw/zinc/30/76/45/558307645.db2.gz LDMPDBIGZOTJHO-UHFFFAOYSA-N 1 0 414.933 4.266 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC000012020017 558309229 /nfs/dbraw/zinc/30/92/29/558309229.db2.gz MTRPPRCCPFDUBN-FQEVSTJZSA-N 1 0 410.558 4.321 50 0 HIAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H]([NH2+]C1CCCCCCC1)CC3 ZINC000012041571 558313055 /nfs/dbraw/zinc/31/30/55/558313055.db2.gz MCEQUKBOJHTQJH-SFHVURJKSA-N 1 0 422.598 4.461 50 0 HIAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cc1 ZINC000012052089 558314318 /nfs/dbraw/zinc/31/43/18/558314318.db2.gz MFODHSDWDKJHOT-UHFFFAOYSA-N 1 0 400.950 4.375 50 0 HIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cnccn2)C2CCCC2)CC1 ZINC000012055506 558315596 /nfs/dbraw/zinc/31/55/96/558315596.db2.gz CKSQPOIQZWZQJO-UHFFFAOYSA-N 1 0 406.574 4.125 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C(C)C)no1 ZINC000012057320 558316392 /nfs/dbraw/zinc/31/63/92/558316392.db2.gz GDHNZENQYKGEIG-LJQANCHMSA-N 1 0 401.526 4.354 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C(C)C)no1 ZINC000012057322 558316412 /nfs/dbraw/zinc/31/64/12/558316412.db2.gz GDHNZENQYKGEIG-IBGZPJMESA-N 1 0 401.526 4.354 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012072515 558317816 /nfs/dbraw/zinc/31/78/16/558317816.db2.gz WISXFNKAVJJSIP-SFHVURJKSA-N 1 0 423.532 4.342 50 0 HIAARO COC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020026853 558322547 /nfs/dbraw/zinc/32/25/47/558322547.db2.gz MBEKPPFVFLZHOP-UHFFFAOYSA-N 1 0 400.478 4.284 50 0 HIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000012091105 558324078 /nfs/dbraw/zinc/32/40/78/558324078.db2.gz JUOXIBIGNNRSIU-QFIPXVFZSA-N 1 0 416.569 4.207 50 0 HIAARO C[N@H+](Cc1ccc(OCCNC(=O)[C@@H]2CCCO2)cc1)Cc1cccc2ccccc21 ZINC000012127211 558331264 /nfs/dbraw/zinc/33/12/64/558331264.db2.gz BEXMNQHIFAJUKP-VWLOTQADSA-N 1 0 418.537 4.146 50 0 HIAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1 ZINC000012126588 558331400 /nfs/dbraw/zinc/33/14/00/558331400.db2.gz GIYLTOOZMOUNFM-LJQANCHMSA-N 1 0 402.922 4.250 50 0 HIAARO Cc1cc(C)n(CCCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000012133155 558333255 /nfs/dbraw/zinc/33/32/55/558333255.db2.gz PSKGJYYFCPJSCK-HXUWFJFHSA-N 1 0 422.495 4.080 50 0 HIAARO Fc1ccc(-n2cccn2)c(C[NH2+][C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000020202199 558346093 /nfs/dbraw/zinc/34/60/93/558346093.db2.gz IIXBCEDWBSCOIC-SFHVURJKSA-N 1 0 419.426 4.184 50 0 HIAARO CN(c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1)C1CC[NH+](C)CC1 ZINC000020203629 558346539 /nfs/dbraw/zinc/34/65/39/558346539.db2.gz PUZNYJCFWTVBMJ-NRFANRHFSA-N 1 0 406.574 4.022 50 0 HIAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012199666 558350899 /nfs/dbraw/zinc/35/08/99/558350899.db2.gz PMRDECYHQXQNIK-AREMUKBSSA-N 1 0 414.553 4.248 50 0 HIAARO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3csc4nc(-c5ccccc5F)cn34)C2)C1 ZINC000012200834 558351217 /nfs/dbraw/zinc/35/12/17/558351217.db2.gz WOZJTQSBCQCZLL-JOCHJYFZSA-N 1 0 412.534 4.150 50 0 HIAARO CN(Cc1ccc(Oc2ncccn2)cc1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020387201 558359151 /nfs/dbraw/zinc/35/91/51/558359151.db2.gz ZXSUISCHSSZNFM-QHCPKHFHSA-N 1 0 414.553 4.333 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012303439 558373037 /nfs/dbraw/zinc/37/30/37/558373037.db2.gz RFVMNANEWSIVAU-SFHVURJKSA-N 1 0 403.929 4.291 50 0 HIAARO CC[C@H]([NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21)c1ccncc1 ZINC000012305320 558374531 /nfs/dbraw/zinc/37/45/31/558374531.db2.gz WLLIPKVFGRAZPV-NRFANRHFSA-N 1 0 413.525 4.242 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012314008 558377489 /nfs/dbraw/zinc/37/74/89/558377489.db2.gz VHJLPOZSSNYTRV-HXUWFJFHSA-N 1 0 420.553 4.454 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3sccc3C)CC2)c1 ZINC000012387209 558396163 /nfs/dbraw/zinc/39/61/63/558396163.db2.gz VPSCZEKNGXSCPW-UHFFFAOYSA-N 1 0 414.571 4.345 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@H](C)CCn2cccn2)cc1 ZINC000012431061 558405759 /nfs/dbraw/zinc/40/57/59/558405759.db2.gz SQKXMSGOWQBFLX-GOSISDBHSA-N 1 0 419.504 4.452 50 0 HIAARO COc1cccc2ccc(C[N@@H+]3CCC[C@](CO)(Cc4ccc(F)cc4F)C3)nc21 ZINC000012439539 558410951 /nfs/dbraw/zinc/41/09/51/558410951.db2.gz JLNCOBCGDIMRAM-DEOSSOPVSA-N 1 0 412.480 4.339 50 0 HIAARO Cc1nnc(-c2cccc(N3CCC([NH2+]Cc4cncn4CC(C)C)CC3)c2)s1 ZINC000020774455 558411718 /nfs/dbraw/zinc/41/17/18/558411718.db2.gz PGNBICAQGYGGLK-UHFFFAOYSA-N 1 0 410.591 4.125 50 0 HIAARO COc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412123 /nfs/dbraw/zinc/41/21/23/558412123.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 1 0 400.538 4.229 50 0 HIAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCSc2nnnn2C)cc1 ZINC000020874204 558418527 /nfs/dbraw/zinc/41/85/27/558418527.db2.gz MQWFTLGLUIUNKE-UHFFFAOYSA-N 1 0 419.554 4.133 50 0 HIAARO Cc1cccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n1 ZINC000012460227 558419043 /nfs/dbraw/zinc/41/90/43/558419043.db2.gz IZIYNNTVFUIWGH-UHFFFAOYSA-N 1 0 417.557 4.385 50 0 HIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C2CCOCC2)C2CCCC2)CC1 ZINC000012571795 558429342 /nfs/dbraw/zinc/42/93/42/558429342.db2.gz DUABTKIAMKYDQZ-UHFFFAOYSA-N 1 0 412.618 4.447 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CC1=CCCCC1 ZINC000012572567 558429737 /nfs/dbraw/zinc/42/97/37/558429737.db2.gz XZQMCNZXXBHWMW-JOCHJYFZSA-N 1 0 410.602 4.231 50 0 HIAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)o1 ZINC000012577436 558431523 /nfs/dbraw/zinc/43/15/23/558431523.db2.gz HTTPTDOIGDPQBM-UHFFFAOYSA-N 1 0 408.502 4.137 50 0 HIAARO CSc1ncc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1 ZINC000012579785 558432037 /nfs/dbraw/zinc/43/20/37/558432037.db2.gz VPHRXEAXQOCTSG-UHFFFAOYSA-N 1 0 404.967 4.483 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000012586718 558434068 /nfs/dbraw/zinc/43/40/68/558434068.db2.gz HLHDMSWHKISEOQ-UHFFFAOYSA-N 1 0 408.542 4.017 50 0 HIAARO CC(C)n1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012586533 558434115 /nfs/dbraw/zinc/43/41/15/558434115.db2.gz IDQSBAHMYUZLJS-LJQANCHMSA-N 1 0 402.970 4.144 50 0 HIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(CC(=O)OC)c2ccc(OC)cc12 ZINC000021720723 558446672 /nfs/dbraw/zinc/44/66/72/558446672.db2.gz RIMAKPFPAYULGB-FQEVSTJZSA-N 1 0 411.502 4.019 50 0 HIAARO CCCn1ncc(CN(CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450347 /nfs/dbraw/zinc/45/03/47/558450347.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 1 0 412.622 4.387 50 0 HIAARO CCOc1cccc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711600 558452663 /nfs/dbraw/zinc/45/26/63/558452663.db2.gz WEVGBHZELZUWHP-QHCPKHFHSA-N 1 0 422.613 4.413 50 0 HIAARO O=C(c1ccccc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012713028 558453573 /nfs/dbraw/zinc/45/35/73/558453573.db2.gz DZYSXALNBDLFKZ-AREMUKBSSA-N 1 0 418.581 4.187 50 0 HIAARO CC(C)[N@@H+]1CC[C@H](CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1 ZINC000012716059 558455178 /nfs/dbraw/zinc/45/51/78/558455178.db2.gz FBWQEGHVOSGJME-HXUWFJFHSA-N 1 0 405.542 4.415 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1ccccc1F)c1nc2cc3c(cc2s1)OCO3 ZINC000004359488 558456576 /nfs/dbraw/zinc/45/65/76/558456576.db2.gz ORDGOGDYBVFRPR-UHFFFAOYSA-N 1 0 415.490 4.153 50 0 HIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1OC ZINC000004359529 558456582 /nfs/dbraw/zinc/45/65/82/558456582.db2.gz FQPQPKQENRDINF-UHFFFAOYSA-N 1 0 413.543 4.220 50 0 HIAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)n1 ZINC000012744288 558457656 /nfs/dbraw/zinc/45/76/56/558457656.db2.gz KEJLVQXSBBISOK-VWLOTQADSA-N 1 0 407.533 4.445 50 0 HIAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000012749537 558458857 /nfs/dbraw/zinc/45/88/57/558458857.db2.gz VRDKTUBYZYYGIO-UHFFFAOYSA-N 1 0 405.502 4.373 50 0 HIAARO Cc1ccc2c(cccc2OCCN2CC[NH+](Cc3cccc4cccnc43)CC2)n1 ZINC000022445253 558489912 /nfs/dbraw/zinc/48/99/12/558489912.db2.gz RMCSKUADBRROSI-UHFFFAOYSA-N 1 0 412.537 4.288 50 0 in-vitro HIAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3CC[NH+](C(C)C)CC3)cc12 ZINC000013010452 558502935 /nfs/dbraw/zinc/50/29/35/558502935.db2.gz JQRCJILLHSWLBV-UHFFFAOYSA-N 1 0 414.550 4.196 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000013056874 558508703 /nfs/dbraw/zinc/50/87/03/558508703.db2.gz DPIYJOFYSSBZKE-FQEVSTJZSA-N 1 0 415.537 4.480 50 0 HIAARO CSCCCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000013593964 558546624 /nfs/dbraw/zinc/54/66/24/558546624.db2.gz FRTPLUNTPKUTSJ-UHFFFAOYSA-N 1 0 412.599 4.255 50 0 HIAARO OCC[C@H]1CN(C2CCN(c3cccc(Cl)c3)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000023373207 558553042 /nfs/dbraw/zinc/55/30/42/558553042.db2.gz LCZMBDBXBKCQSK-DEOSSOPVSA-N 1 0 420.041 4.258 50 0 HIAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]Cc3cccn3-c3ncccn3)C2)cc1 ZINC000023374606 558554133 /nfs/dbraw/zinc/55/41/33/558554133.db2.gz MUNGDZDVFIGHKP-QHCPKHFHSA-N 1 0 403.574 4.220 50 0 HIAARO CCOc1cccc(C[NH2+]CCOCCO)c1OCc1ccc(Cl)cc1Cl ZINC000013717473 558579978 /nfs/dbraw/zinc/57/99/78/558579978.db2.gz VEAUAHMXVDBMGQ-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO Cc1occc1-c1nnc(SC[C@H]2C[N@H+](CC(C)C)CCO2)n1-c1ccccc1 ZINC000023882937 558580282 /nfs/dbraw/zinc/58/02/82/558580282.db2.gz FMHDXBMOUKRQHG-LJQANCHMSA-N 1 0 412.559 4.285 50 0 HIAARO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034697783 558584481 /nfs/dbraw/zinc/58/44/81/558584481.db2.gz PYCUIRZDWKZISE-UKILVPOCSA-N 1 0 406.570 4.274 50 0 HIAARO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccc(F)cc1Cl ZINC000013727999 558585451 /nfs/dbraw/zinc/58/54/51/558585451.db2.gz YCIRPGBPSLVSOQ-UHFFFAOYSA-N 1 0 420.912 4.169 50 0 HIAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1c(Cl)cccc1Cl ZINC000013768204 558591177 /nfs/dbraw/zinc/59/11/77/558591177.db2.gz VOHIZPCOELQZND-UHFFFAOYSA-O 1 0 405.280 4.473 50 0 HIAARO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000024928078 558621200 /nfs/dbraw/zinc/62/12/00/558621200.db2.gz HVXAWMUFCZZSCF-HXUWFJFHSA-N 1 0 409.917 4.318 50 0 HIAARO Cc1noc2nc(-c3ccccc3F)cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c12 ZINC000025331767 558638708 /nfs/dbraw/zinc/63/87/08/558638708.db2.gz WXBHXCVATGZMNL-IBGZPJMESA-N 1 0 424.501 4.432 50 0 HIAARO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c12 ZINC000025331843 558638747 /nfs/dbraw/zinc/63/87/47/558638747.db2.gz CKVBJQNSQIQAJW-FQEVSTJZSA-N 1 0 419.554 4.038 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1cccs1 ZINC000025686549 558647842 /nfs/dbraw/zinc/64/78/42/558647842.db2.gz BLQDXBAVTPPXQW-NRFANRHFSA-N 1 0 402.523 4.391 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCCC2)cc1 ZINC000027580484 558675785 /nfs/dbraw/zinc/67/57/85/558675785.db2.gz AKMMLLPXYFWNDE-JOCHJYFZSA-N 1 0 416.949 4.461 50 0 HIAARO O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000014887543 558677781 /nfs/dbraw/zinc/67/77/81/558677781.db2.gz PHLVEHJXMVZKLV-YLJYHZDGSA-N 1 0 404.963 4.293 50 0 HIAARO O=C(c1ccsc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014950418 558680805 /nfs/dbraw/zinc/68/08/05/558680805.db2.gz SMMPJOJWQPOZGZ-DEOSSOPVSA-N 1 0 424.610 4.249 50 0 HIAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3C)CC2)c(Cl)c1 ZINC000014951561 558681250 /nfs/dbraw/zinc/68/12/50/558681250.db2.gz WMISUGUMTCCQOQ-UHFFFAOYSA-N 1 0 416.949 4.068 50 0 HIAARO Cc1c2cc(Cl)ccc2oc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027795580 558683434 /nfs/dbraw/zinc/68/34/34/558683434.db2.gz NWXIXOISLSOOPS-UHFFFAOYSA-N 1 0 403.954 4.075 50 0 HIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C/C=C/c4ccccc4)CC3)on2)c1 ZINC000014979321 558690606 /nfs/dbraw/zinc/69/06/06/558690606.db2.gz KZPWHNGZUUQAKG-RMKNXTFCSA-N 1 0 404.510 4.433 50 0 HIAARO Cc1ccccc1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014980854 558691428 /nfs/dbraw/zinc/69/14/28/558691428.db2.gz LKZHQRYJMYEMLU-SFHVURJKSA-N 1 0 400.906 4.048 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)c1ccc(F)cc1 ZINC000014989494 558693800 /nfs/dbraw/zinc/69/38/00/558693800.db2.gz OUKMGQJUZIWFRS-HSZRJFAPSA-N 1 0 410.533 4.202 50 0 HIAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2)C1 ZINC000072280729 558705637 /nfs/dbraw/zinc/70/56/37/558705637.db2.gz OWWOWGYPHPZKBL-LJQANCHMSA-N 1 0 403.530 4.426 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](CCCC(F)(F)F)CC2)c1 ZINC000015063553 558706169 /nfs/dbraw/zinc/70/61/69/558706169.db2.gz PNFHOIIBZXDKPV-UHFFFAOYSA-N 1 0 414.468 4.117 50 0 HIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 ZINC000015068687 558711191 /nfs/dbraw/zinc/71/11/91/558711191.db2.gz ATYUHABYIADXDK-OAQYLSRUSA-N 1 0 420.557 4.319 50 0 HIAARO C[C@H](CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070484 558712507 /nfs/dbraw/zinc/71/25/07/558712507.db2.gz SNLCVLMNGCGOKF-APWZRJJASA-N 1 0 414.933 4.343 50 0 HIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000015076589 558716547 /nfs/dbraw/zinc/71/65/47/558716547.db2.gz KZJHKCPGILMPNN-OAQYLSRUSA-N 1 0 404.558 4.432 50 0 HIAARO CCOCCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004552819 558720367 /nfs/dbraw/zinc/72/03/67/558720367.db2.gz NHAIRJQYBXHLEI-UHFFFAOYSA-N 1 0 410.558 4.020 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[NH+]2CCCC2)cc1 ZINC000072309222 558772593 /nfs/dbraw/zinc/77/25/93/558772593.db2.gz SZELXEDNTBTFHV-XMMPIXPASA-N 1 0 407.558 4.252 50 0 HIAARO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071808644 558820050 /nfs/dbraw/zinc/82/00/50/558820050.db2.gz ZHAYCRKRMZTAII-OAQYLSRUSA-N 1 0 412.578 4.150 50 0 HIAARO CC1CC[NH+]([C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)c2cccs2)CC1 ZINC000017126210 558823394 /nfs/dbraw/zinc/82/33/94/558823394.db2.gz HIOPLALDVZELPB-NRFANRHFSA-N 1 0 412.603 4.053 50 0 HIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cc(F)ccc3-n3cccn3)c2C)cc1 ZINC000019112651 558841786 /nfs/dbraw/zinc/84/17/86/558841786.db2.gz HBRZHQVHNUVGLN-INIZCTEOSA-N 1 0 405.477 4.365 50 0 HIAARO CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000072314316 558844125 /nfs/dbraw/zinc/84/41/25/558844125.db2.gz JGPYKUJASYKGRL-LJQANCHMSA-N 1 0 422.573 4.343 50 0 HIAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCCCCC4)c3)CC2)CC1 ZINC000019222569 558852214 /nfs/dbraw/zinc/85/22/14/558852214.db2.gz GEBGQHYMNRCUAK-UHFFFAOYSA-N 1 0 413.606 4.030 50 0 HIAARO COc1ccccc1-c1cnn2c1nc(C)cc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000054284532 558867401 /nfs/dbraw/zinc/86/74/01/558867401.db2.gz PEDMCKYFVRWRJT-UHFFFAOYSA-N 1 0 413.525 4.036 50 0 HIAARO CCCOc1cccc(C(=O)NCCC[N@H+](C)CCCN(C)Cc2ccccc2)c1 ZINC000004664887 558876715 /nfs/dbraw/zinc/87/67/15/558876715.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 1 0 411.590 4.049 50 0 HIAARO CCCC[C@@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000055226052 558876661 /nfs/dbraw/zinc/87/66/61/558876661.db2.gz DHJNDRBXNKSWBP-JOCHJYFZSA-N 1 0 405.542 4.438 50 0 HIAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCCC3)c3ccccc3n2)cc1 ZINC000004668057 558878087 /nfs/dbraw/zinc/87/80/87/558878087.db2.gz NLMNGMXCPDIDHO-UHFFFAOYSA-N 1 0 404.514 4.203 50 0 HIAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH2+]Cc1ccccc1 ZINC000056898645 558886660 /nfs/dbraw/zinc/88/66/60/558886660.db2.gz LSKUGDZPRLNZEP-UHFFFAOYSA-N 1 0 412.486 4.459 50 0 HIAARO CCCC[N@H+](C)CC1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000058045342 558896587 /nfs/dbraw/zinc/89/65/87/558896587.db2.gz FUQRTZQXLXFFOG-UHFFFAOYSA-N 1 0 418.607 4.433 50 0 HIAARO O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000058109282 558899347 /nfs/dbraw/zinc/89/93/47/558899347.db2.gz WGRIOXQVUSWFPC-NRFANRHFSA-N 1 0 418.324 4.080 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000058137624 558900995 /nfs/dbraw/zinc/90/09/95/558900995.db2.gz BCGDMEQHSXIFMV-UHFFFAOYSA-N 1 0 418.541 4.024 50 0 HIAARO CCOc1ncccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058138740 558901282 /nfs/dbraw/zinc/90/12/82/558901282.db2.gz HJFUILAYSBWERZ-UHFFFAOYSA-N 1 0 416.525 4.055 50 0 HIAARO O=C(CCOc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058160648 558905379 /nfs/dbraw/zinc/90/53/79/558905379.db2.gz YNAQORGUECZHFF-UHFFFAOYSA-N 1 0 415.537 4.416 50 0 HIAARO Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343574 558920921 /nfs/dbraw/zinc/92/09/21/558920921.db2.gz SVUDNOVACTXHMC-DNQXCXABSA-N 1 0 402.542 4.000 50 0 HIAARO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC(C)C ZINC000058368714 558922480 /nfs/dbraw/zinc/92/24/80/558922480.db2.gz JKWCLBCRVFXKPO-GOSISDBHSA-N 1 0 402.922 4.140 50 0 HIAARO O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374168 558941946 /nfs/dbraw/zinc/94/19/46/558941946.db2.gz ITDUGMZUCKCMPC-SFHVURJKSA-N 1 0 410.905 4.096 50 0 HIAARO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031441 558985330 /nfs/dbraw/zinc/98/53/30/558985330.db2.gz GEGIDCCXASQQMS-UZLBHIALSA-N 1 0 402.995 4.004 50 0 HIAARO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000067623066 558990105 /nfs/dbraw/zinc/99/01/05/558990105.db2.gz RIEXEMDBCGVXAO-UHFFFAOYSA-N 1 0 424.932 4.261 50 0 HIAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000067674469 558991231 /nfs/dbraw/zinc/99/12/31/558991231.db2.gz OYYIAZHHTXWXMC-LJQANCHMSA-N 1 0 422.598 4.385 50 0 HIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)C1 ZINC000033278931 559042283 /nfs/dbraw/zinc/04/22/83/559042283.db2.gz OXOGLCFKVYNZCU-GOSISDBHSA-N 1 0 404.514 4.255 50 0 HIAARO CN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091643352 559072618 /nfs/dbraw/zinc/07/26/18/559072618.db2.gz PPUFVBYTZIPHNY-DEOSSOPVSA-N 1 0 411.634 4.054 50 0 HIAARO CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091643351 559072634 /nfs/dbraw/zinc/07/26/34/559072634.db2.gz PPUFVBYTZIPHNY-XMMPIXPASA-N 1 0 411.634 4.054 50 0 HIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000095352895 559079649 /nfs/dbraw/zinc/07/96/49/559079649.db2.gz KVOKXDREDVNLAG-LNJOJYBOSA-N 1 0 405.586 4.303 50 0 HIAARO Cc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)o1 ZINC000095355201 559079881 /nfs/dbraw/zinc/07/98/81/559079881.db2.gz ACTGKZYDJNURCC-DENIHFKCSA-N 1 0 401.510 4.387 50 0 HIAARO Cc1ccc(C)c([C@H](NC(=O)C2CC[NH+](Cc3ccco3)CC2)c2cccnc2)c1 ZINC000095374952 559080402 /nfs/dbraw/zinc/08/04/02/559080402.db2.gz KTMIXVPZZQRYRH-XMMPIXPASA-N 1 0 403.526 4.409 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014233141 559161164 /nfs/dbraw/zinc/16/11/64/559161164.db2.gz HSCPIRDUHGPZLV-CQSZACIVSA-N 1 0 408.329 4.016 50 0 HIAARO CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000004872920 559194703 /nfs/dbraw/zinc/19/47/03/559194703.db2.gz PQZWZSQBGGMYCO-NPRSCZTNSA-N 1 0 407.643 4.114 50 0 HIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004905713 559201680 /nfs/dbraw/zinc/20/16/80/559201680.db2.gz ZNCTUOFDDJHXKX-HXUWFJFHSA-N 1 0 405.498 4.159 50 0 HIAARO C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2c(cccc2F)s1 ZINC000005115690 559247334 /nfs/dbraw/zinc/24/73/34/559247334.db2.gz SRLXBXNQOQIKQR-UHFFFAOYSA-N 1 0 407.898 4.062 50 0 HIAARO Cc1cc(O)c([C@@H](c2ccccc2F)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000038545850 559257973 /nfs/dbraw/zinc/25/79/73/559257973.db2.gz XGLIYVVWHSVENJ-HSZRJFAPSA-N 1 0 407.489 4.020 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1OC ZINC000011816489 559260419 /nfs/dbraw/zinc/26/04/19/559260419.db2.gz CFCFPMZMLMSGBT-DEOSSOPVSA-N 1 0 412.530 4.042 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCCCC2)cc1 ZINC000011915586 559267914 /nfs/dbraw/zinc/26/79/14/559267914.db2.gz NRLJHSBCNKXYMW-QFIPXVFZSA-N 1 0 420.509 4.149 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(Br)c3)=NN12 ZINC000005163955 559275743 /nfs/dbraw/zinc/27/57/43/559275743.db2.gz MKCWVJYUQKXREE-LJQANCHMSA-N 1 0 412.331 4.415 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(C)cc3)nc21 ZINC000005256891 560550727 /nfs/dbraw/zinc/55/07/27/560550727.db2.gz NBGQXXZJTFRQFT-UHFFFAOYSA-N 1 0 403.935 4.475 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3C=C12 ZINC000061992857 560568611 /nfs/dbraw/zinc/56/86/11/560568611.db2.gz VNTROCQKDUQNCB-WLJKPDCTSA-N 1 0 412.549 4.262 50 0 HIAARO COc1ccc2oc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000005200802 560625197 /nfs/dbraw/zinc/62/51/97/560625197.db2.gz INELJZJVTGCNKC-UHFFFAOYSA-N 1 0 413.905 4.407 50 0 HIAARO CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000062582000 560632063 /nfs/dbraw/zinc/63/20/63/560632063.db2.gz VCWORKIBBHLLMB-PXNSSMCTSA-N 1 0 417.500 4.384 50 0 HIAARO COc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1OCc1ccccc1 ZINC000017794483 560728345 /nfs/dbraw/zinc/72/83/45/560728345.db2.gz ITFYPYSTFQSWGD-JOCHJYFZSA-N 1 0 422.500 4.446 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000017911474 560730500 /nfs/dbraw/zinc/73/05/00/560730500.db2.gz UOBNKSZDCUSFJZ-LJQANCHMSA-N 1 0 403.320 4.025 50 0 HIAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032473 568424733 /nfs/dbraw/zinc/42/47/33/568424733.db2.gz RJLQXMDHIOFWND-UHFFFAOYSA-N 1 0 400.548 4.085 50 0 HIAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000819279 568496816 /nfs/dbraw/zinc/49/68/16/568496816.db2.gz IZVOIGIQIKQQTQ-UHFFFAOYSA-N 1 0 415.537 4.189 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000005780560 568561208 /nfs/dbraw/zinc/56/12/08/568561208.db2.gz KDTBIQUPKZHJFR-INIZCTEOSA-N 1 0 405.976 4.461 50 0 HIAARO COc1ccccc1/C=C1/CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccccc1OC ZINC000038163300 568569941 /nfs/dbraw/zinc/56/99/41/568569941.db2.gz SRWZYMHWNVOURR-OKRNDORHSA-N 1 0 400.482 4.485 50 0 HIAARO O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020108549 568588519 /nfs/dbraw/zinc/58/85/19/568588519.db2.gz RHGCQWPTVAGFDS-QFIPXVFZSA-N 1 0 403.998 4.390 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc12 ZINC000020114348 568589270 /nfs/dbraw/zinc/58/92/70/568589270.db2.gz VNPSTHZSEFTKPA-UHFFFAOYSA-N 1 0 412.896 4.340 50 0 HIAARO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095400363 568604986 /nfs/dbraw/zinc/60/49/86/568604986.db2.gz YLPFJKJPGWEKDP-VWLOTQADSA-N 1 0 416.569 4.219 50 0 HIAARO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000095432509 568609282 /nfs/dbraw/zinc/60/92/82/568609282.db2.gz YEPVQVVGAUDJFL-PMOQBDJRSA-N 1 0 412.574 4.267 50 0 HIAARO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3ccco3)nc2C)cc1 ZINC000095456453 568617680 /nfs/dbraw/zinc/61/76/80/568617680.db2.gz DDAXXNRWLZIWBH-JOCHJYFZSA-N 1 0 405.498 4.226 50 0 HIAARO CC[N@H+](CCC1CCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1)CC(C)C ZINC000095459673 568619711 /nfs/dbraw/zinc/61/97/11/568619711.db2.gz TZLVUPJBRVDPLO-UHFFFAOYSA-N 1 0 414.594 4.425 50 0 HIAARO CC(C)[N@H+](Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1)C[C@@H]1CCCCO1 ZINC000095460780 568620388 /nfs/dbraw/zinc/62/03/88/568620388.db2.gz SKYWECYRVLCIIV-KNQAVFIVSA-N 1 0 419.610 4.385 50 0 HIAARO CC[C@@H](C)[N@H+](CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1 ZINC000020510068 568621047 /nfs/dbraw/zinc/62/10/47/568621047.db2.gz HVRRPFJRTGIMME-MRXNPFEDSA-N 1 0 409.486 4.166 50 0 HIAARO CCOc1ccc(C[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C(=O)OC)cc1 ZINC000095467742 568624920 /nfs/dbraw/zinc/62/49/20/568624920.db2.gz RVYMDXFFDPFQQY-IBGZPJMESA-N 1 0 409.530 4.137 50 0 HIAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(Cc5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020612435 568637653 /nfs/dbraw/zinc/63/76/53/568637653.db2.gz AZCJOSWXMWVFEY-MWXBQQNOSA-N 1 0 408.586 4.263 50 0 HIAARO CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000020760915 568642277 /nfs/dbraw/zinc/64/22/77/568642277.db2.gz KWBVKCYZPAZTLO-UHFFFAOYSA-N 1 0 407.558 4.143 50 0 HIAARO Cc1cccc(-n2ncc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-n2cccc2)c1 ZINC000020979935 568654445 /nfs/dbraw/zinc/65/44/45/568654445.db2.gz AHNSVICLPNUNML-UHFFFAOYSA-N 1 0 417.557 4.062 50 0 HIAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCCC3)cc21 ZINC000021167931 568675095 /nfs/dbraw/zinc/67/50/95/568675095.db2.gz OHAMYOOOPKVYRJ-OAQYLSRUSA-N 1 0 406.526 4.285 50 0 HIAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000021174737 568677069 /nfs/dbraw/zinc/67/70/69/568677069.db2.gz AVHRZFLTVPIVHZ-UHFFFAOYSA-N 1 0 418.944 4.430 50 0 HIAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCC[C@@H](O)C1 ZINC000227693423 568710417 /nfs/dbraw/zinc/71/04/17/568710417.db2.gz RHRDPIKOUPDNIA-CRAIPNDOSA-N 1 0 412.839 4.495 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538051 568712923 /nfs/dbraw/zinc/71/29/23/568712923.db2.gz GAFWUJRNBDMJAU-UHFFFAOYSA-N 1 0 420.557 4.277 50 0 HIAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000237827650 568725676 /nfs/dbraw/zinc/72/56/76/568725676.db2.gz JSHUHAYLBSQXGH-HNNXBMFYSA-N 1 0 402.317 4.081 50 0 HIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000021673216 568736942 /nfs/dbraw/zinc/73/69/42/568736942.db2.gz NDQPOIQOHZXPOX-OAQYLSRUSA-N 1 0 410.514 4.412 50 0 HIAARO O[C@@H](C[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1)c1ccccc1 ZINC000247740232 568745734 /nfs/dbraw/zinc/74/57/34/568745734.db2.gz NMNNWXZQRYKVAM-QHCPKHFHSA-N 1 0 418.928 4.470 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000248163857 568748059 /nfs/dbraw/zinc/74/80/59/568748059.db2.gz NASLKRAWQLVIIA-KRWDZBQOSA-N 1 0 405.329 4.161 50 0 HIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249689684 568748600 /nfs/dbraw/zinc/74/86/00/568748600.db2.gz JOSPMZKSBSKDJR-SFHVURJKSA-N 1 0 410.949 4.238 50 0 HIAARO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2cc(Br)ccc2n1 ZINC000021883233 568758098 /nfs/dbraw/zinc/75/80/98/568758098.db2.gz WTLICLWBQPVUEU-UHFFFAOYSA-N 1 0 416.363 4.396 50 0 HIAARO CC[NH+](CC)CCOCCN(Cc1nc(Cc2ccccc2)no1)Cc1ccccc1 ZINC000097106913 568768145 /nfs/dbraw/zinc/76/81/45/568768145.db2.gz QOIUDLVVZHQRBQ-UHFFFAOYSA-N 1 0 422.573 4.021 50 0 HIAARO O=C(CCc1ccccc1F)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225630881 568777639 /nfs/dbraw/zinc/77/76/39/568777639.db2.gz TZOURJJLWZLECE-XMMPIXPASA-N 1 0 424.560 4.431 50 0 HIAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002798757 568810750 /nfs/dbraw/zinc/81/07/50/568810750.db2.gz GRIYQZILAYJBIT-GFCCVEGCSA-N 1 0 414.399 4.019 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000002890324 568815094 /nfs/dbraw/zinc/81/50/94/568815094.db2.gz FHHQNKSSPXALSW-LJQANCHMSA-N 1 0 414.864 4.082 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002890453 568815113 /nfs/dbraw/zinc/81/51/13/568815113.db2.gz CWTSIBTUVNERAR-FQEVSTJZSA-N 1 0 410.901 4.333 50 0 HIAARO O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NCc1ccc(Cl)cc1Cl ZINC000057679864 568858039 /nfs/dbraw/zinc/85/80/39/568858039.db2.gz XDEVEHLNQMGMRT-INIZCTEOSA-N 1 0 413.370 4.352 50 0 HIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000012569459 568861372 /nfs/dbraw/zinc/86/13/72/568861372.db2.gz KMOZXECJULRFIE-UHFFFAOYSA-N 1 0 402.922 4.365 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000031096143 568913079 /nfs/dbraw/zinc/91/30/79/568913079.db2.gz IUDBNTBQRADEMO-UHFFFAOYSA-N 1 0 400.526 4.331 50 0 HIAARO Cc1noc(C)c1COc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012696860 568916759 /nfs/dbraw/zinc/91/67/59/568916759.db2.gz IDDHSSIRUREULL-UHFFFAOYSA-N 1 0 419.525 4.265 50 0 HIAARO COc1ccc2c(c1)C=C(C[NH+]1CCC(O)(c3cccc(C(F)(F)F)c3)CC1)CO2 ZINC000670451726 568926462 /nfs/dbraw/zinc/92/64/62/568926462.db2.gz LSLKMODHIKVTCQ-UHFFFAOYSA-N 1 0 419.443 4.473 50 0 HIAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CCCN(Cc4ccccc4F)CC3)ccc2c1 ZINC000670450769 568926737 /nfs/dbraw/zinc/92/67/37/568926737.db2.gz HDQXNHMVBVOARM-UHFFFAOYSA-N 1 0 406.505 4.040 50 0 HIAARO Cc1cc(C)n(Cc2cccc(NC(=O)NCc3ccc(F)c(C[NH+](C)C)c3)c2)n1 ZINC000084104872 568937730 /nfs/dbraw/zinc/93/77/30/568937730.db2.gz AYIZUYGNMLTGRG-UHFFFAOYSA-N 1 0 409.509 4.071 50 0 HIAARO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012762433 568946773 /nfs/dbraw/zinc/94/67/73/568946773.db2.gz DMDQPWLUEGGIGN-HSZRJFAPSA-N 1 0 422.960 4.412 50 0 HIAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651614 568954842 /nfs/dbraw/zinc/95/48/42/568954842.db2.gz XFLCKTJQLLSWJB-KGLIPLIRSA-N 1 0 411.365 4.111 50 0 HIAARO CN(C)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000004272541 568957478 /nfs/dbraw/zinc/95/74/78/568957478.db2.gz ICFDHUDRNGPSMB-UHFFFAOYSA-N 1 0 402.951 4.224 50 0 HIAARO CCC[NH+](CCC)CCCNC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000015681276 568968001 /nfs/dbraw/zinc/96/80/01/568968001.db2.gz MNABGIZOJLYPBL-UHFFFAOYSA-N 1 0 407.562 4.213 50 0 HIAARO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008201499 568982592 /nfs/dbraw/zinc/98/25/92/568982592.db2.gz XIHKANWURLMUFV-MRXNPFEDSA-N 1 0 409.555 4.189 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008278596 568987208 /nfs/dbraw/zinc/98/72/08/568987208.db2.gz RORGZBLREMQDDF-UHFFFAOYSA-N 1 0 417.557 4.415 50 0 HIAARO C[N@@H+]1CCCN(c2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000012813778 568987801 /nfs/dbraw/zinc/98/78/01/568987801.db2.gz JTYJFDYEOBIYKZ-UHFFFAOYSA-N 1 0 403.349 4.263 50 0 HIAARO O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000012815500 568989580 /nfs/dbraw/zinc/98/95/80/568989580.db2.gz OVCUMBPWNZKVMN-UHFFFAOYSA-N 1 0 404.554 4.441 50 0 HIAARO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccc1 ZINC000038545807 568999582 /nfs/dbraw/zinc/99/95/82/568999582.db2.gz LWFIPIXUCMRUKR-DEOSSOPVSA-N 1 0 403.526 4.127 50 0 HIAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC[NH+]3CCCC3)cc1CC2 ZINC000015781660 569002782 /nfs/dbraw/zinc/00/27/82/569002782.db2.gz WCTJYUPAIYIBHX-UHFFFAOYSA-N 1 0 420.582 4.224 50 0 HIAARO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000015831709 569012396 /nfs/dbraw/zinc/01/23/96/569012396.db2.gz OISWPNBJSVPDNX-QGZVFWFLSA-N 1 0 402.336 4.135 50 0 HIAARO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013007099 569049737 /nfs/dbraw/zinc/04/97/37/569049737.db2.gz OGRANMKKYNSMQC-NSHDSACASA-N 1 0 417.775 4.295 50 0 HIAARO C[C@H]1CCc2sc3ncnc(N4CC[NH+](CCOc5ccccc5)CC4)c3c2C1 ZINC000054290470 569070003 /nfs/dbraw/zinc/07/00/03/569070003.db2.gz UQXGUIMXCROXEY-KRWDZBQOSA-N 1 0 408.571 4.017 50 0 HIAARO COc1cccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000036074978 569086958 /nfs/dbraw/zinc/08/69/58/569086958.db2.gz BXUXYUFSYQWFMW-IERDGZPVSA-N 1 0 402.922 4.069 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036102320 569091792 /nfs/dbraw/zinc/09/17/92/569091792.db2.gz AJNQQLVTZUUXQR-QFIPXVFZSA-N 1 0 405.494 4.030 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c1OC ZINC000036103772 569092251 /nfs/dbraw/zinc/09/22/51/569092251.db2.gz QALFJCXIZKZKLA-HSZRJFAPSA-N 1 0 409.501 4.449 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c1OC ZINC000036103773 569092269 /nfs/dbraw/zinc/09/22/69/569092269.db2.gz QALFJCXIZKZKLA-QHCPKHFHSA-N 1 0 409.501 4.449 50 0 HIAARO COc1cccc(CN(C[C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]O2)C(=O)CC(C)C)c1 ZINC000006722555 569099693 /nfs/dbraw/zinc/09/96/93/569099693.db2.gz OBBKPMUAGPPEDU-HSZRJFAPSA-N 1 0 423.557 4.329 50 0 HIAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](CCC(C)C)C[C@@H](O)COC ZINC000036249761 569119257 /nfs/dbraw/zinc/11/92/57/569119257.db2.gz ANAKONFSWNVVDB-HXUWFJFHSA-N 1 0 421.557 4.182 50 0 HIAARO COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308093 569130213 /nfs/dbraw/zinc/13/02/13/569130213.db2.gz ASRMMHZKTCHYKI-OAQYLSRUSA-N 1 0 423.557 4.345 50 0 HIAARO COc1ccc(-c2noc(-c3ccc(N4CC[NH+](C5CCCCC5)CC4)nc3)n2)cc1 ZINC000065097837 569176653 /nfs/dbraw/zinc/17/66/53/569176653.db2.gz NMJDQLUJTIRVDX-UHFFFAOYSA-N 1 0 419.529 4.262 50 0 HIAARO CCCn1c(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)nc2cccnc21 ZINC000065172874 569189961 /nfs/dbraw/zinc/18/99/61/569189961.db2.gz XGZZCVWYKHOHCH-GOSISDBHSA-N 1 0 405.546 4.113 50 0 HIAARO c1nc2cc(-c3noc(COc4ccccc4)n3)ccc2n1CC[NH+]1CCCCC1 ZINC000065255075 569207603 /nfs/dbraw/zinc/20/76/03/569207603.db2.gz MYLJQXIXSSKRMB-UHFFFAOYSA-N 1 0 403.486 4.151 50 0 HIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3cc(C)ccc3C)CC2)n1 ZINC000065257929 569209740 /nfs/dbraw/zinc/20/97/40/569209740.db2.gz FKERIOZISGXOMQ-UHFFFAOYSA-N 1 0 405.546 4.413 50 0 HIAARO Cc1nc(Nc2cccc(C)n2)sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065306298 569220550 /nfs/dbraw/zinc/22/05/50/569220550.db2.gz RVERPSJCPIINSM-UHFFFAOYSA-N 1 0 421.570 4.293 50 0 HIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000007128147 569224313 /nfs/dbraw/zinc/22/43/13/569224313.db2.gz YJJLCONTOHQTCK-HXUWFJFHSA-N 1 0 403.873 4.365 50 0 HIAARO c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000065564548 569234182 /nfs/dbraw/zinc/23/41/82/569234182.db2.gz VZGKSALIXSFIEE-OAQYLSRUSA-N 1 0 419.529 4.119 50 0 HIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000014043238 569258391 /nfs/dbraw/zinc/25/83/91/569258391.db2.gz SZSWUKSUYDIXHW-NRFANRHFSA-N 1 0 408.505 4.301 50 0 HIAARO Cc1nc(-c2cccc(C(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)no1 ZINC000089718492 569263074 /nfs/dbraw/zinc/26/30/74/569263074.db2.gz AGCINDKGGXKNOT-YLJYHZDGSA-N 1 0 404.514 4.076 50 0 HIAARO O=C(Cc1ccccc1Cl)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000089813509 569266443 /nfs/dbraw/zinc/26/64/43/569266443.db2.gz IADZWOSVFSROAR-UHFFFAOYSA-N 1 0 407.341 4.196 50 0 HIAARO CCC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000089941797 569269363 /nfs/dbraw/zinc/26/93/63/569269363.db2.gz FAUYHUMEYOHALV-UHFFFAOYSA-N 1 0 414.933 4.092 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1OC(F)F ZINC000089977223 569270425 /nfs/dbraw/zinc/27/04/25/569270425.db2.gz NGAKBUJBRNDUCK-LJQANCHMSA-N 1 0 418.484 4.049 50 0 HIAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1Cn1nnc2ccccc21 ZINC000002100978 569281371 /nfs/dbraw/zinc/28/13/71/569281371.db2.gz RXFOOPNQCJKEGN-DEOSSOPVSA-N 1 0 409.493 4.205 50 0 biogenic HIAARO COc1ccc(OC)c([C@@H]2CCCN2[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000252444208 569285941 /nfs/dbraw/zinc/28/59/41/569285941.db2.gz ROQBXNNDLPFNFX-MRUHUIDDSA-N 1 0 400.494 4.246 50 0 HIAARO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000252486522 569289323 /nfs/dbraw/zinc/28/93/23/569289323.db2.gz KQXCZCKCZIAWRD-AQNXPRMDSA-N 1 0 417.594 4.147 50 0 HIAARO C[C@@H]1C[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000170654893 569295445 /nfs/dbraw/zinc/29/54/45/569295445.db2.gz QEGOEQSOVOAAGH-VQIMIIECSA-N 1 0 406.448 4.254 50 0 HIAARO CCc1cc2c(C[N@@H+]3CCC[C@H]3c3cc(OC)ccc3OC)cc(=O)oc2cc1O ZINC000007718525 569302100 /nfs/dbraw/zinc/30/21/00/569302100.db2.gz AEJCWPWWSMPYBN-FQEVSTJZSA-N 1 0 409.482 4.415 50 0 HIAARO Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2C2CC[NH+](C)CC2)cc1 ZINC000007779299 569309185 /nfs/dbraw/zinc/30/91/85/569309185.db2.gz QEBPAIIHLXZRQL-UHFFFAOYSA-N 1 0 407.543 4.257 50 0 HIAARO Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc12 ZINC000195573080 569312192 /nfs/dbraw/zinc/31/21/92/569312192.db2.gz SYXRWVKKHFDROP-UHFFFAOYSA-N 1 0 410.587 4.447 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)c1nc(-c2ccccc2)oc1C)[NH+]1CCCC1 ZINC000027570336 569374116 /nfs/dbraw/zinc/37/41/16/569374116.db2.gz GSMORHCFTYJTMG-HXUWFJFHSA-N 1 0 405.498 4.226 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000002417980 569397503 /nfs/dbraw/zinc/39/75/03/569397503.db2.gz FSKHFWVVYGHPCA-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000002425541 569398484 /nfs/dbraw/zinc/39/84/84/569398484.db2.gz IQJWKVJOGYNSGR-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000012884940 569404435 /nfs/dbraw/zinc/40/44/35/569404435.db2.gz NGFMXGRTLRTGJZ-ZSNBAVAXSA-N 1 0 423.597 4.370 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369570 569412675 /nfs/dbraw/zinc/41/26/75/569412675.db2.gz DHARCPCFKPYXJX-NRFANRHFSA-N 1 0 404.558 4.474 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)C1 ZINC000013369581 569412698 /nfs/dbraw/zinc/41/26/98/569412698.db2.gz BELAQFGKSPUPNO-WOJBJXKFSA-N 1 0 404.558 4.188 50 0 HIAARO Cc1ccc(-n2ncc(C(=O)N(C)CCC[NH+]3CCCC3)c2C2CC2)cc1Cl ZINC000328591487 569415062 /nfs/dbraw/zinc/41/50/62/569415062.db2.gz JRCXVGQDFYQDRA-UHFFFAOYSA-N 1 0 400.954 4.269 50 0 HIAARO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccccc1Cl ZINC000038907180 571096063 /nfs/dbraw/zinc/09/60/63/571096063.db2.gz DUWZHGQDCVPVAS-UHFFFAOYSA-N 1 0 406.917 4.310 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2c(C)onc2-c2ccccc2)[NH+]2CCCC2)cc1 ZINC000008848860 571126008 /nfs/dbraw/zinc/12/60/08/571126008.db2.gz JXMCPWCSFHXEKM-NRFANRHFSA-N 1 0 405.498 4.226 50 0 HIAARO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040121140 571177195 /nfs/dbraw/zinc/17/71/95/571177195.db2.gz AZBREDONCAPHHH-FQEVSTJZSA-N 1 0 406.461 4.409 50 0 HIAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000009151185 571230256 /nfs/dbraw/zinc/23/02/56/571230256.db2.gz WLFBEKNNWLBILE-UHFFFAOYSA-N 1 0 413.493 4.131 50 0 HIAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000009151173 571230270 /nfs/dbraw/zinc/23/02/70/571230270.db2.gz JZFJHQQVOWTMMM-UHFFFAOYSA-N 1 0 403.473 4.492 50 0 HIAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccc5ccccc5c4O)nc3c12 ZINC000009184489 571234713 /nfs/dbraw/zinc/23/47/13/571234713.db2.gz GJXXXXTUPFDUAT-UHFFFAOYSA-N 1 0 414.513 4.173 50 0 HIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc5ncsc5c4)cc3s2)CC1 ZINC000009316321 571247514 /nfs/dbraw/zinc/24/75/14/571247514.db2.gz QHJGRZSUWNXSJZ-UHFFFAOYSA-N 1 0 424.551 4.267 50 0 HIAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333746 571300672 /nfs/dbraw/zinc/30/06/72/571300672.db2.gz BMZQBEJVNHCWLI-OAQYLSRUSA-N 1 0 409.917 4.159 50 0 HIAARO O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)NC1CCCCC1 ZINC000033129348 571315819 /nfs/dbraw/zinc/31/58/19/571315819.db2.gz GAFREISTHVEQEI-UHFFFAOYSA-N 1 0 421.545 4.126 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1 ZINC000011663114 845823195 /nfs/dbraw/zinc/82/31/95/845823195.db2.gz DCNJUTQFIPJARI-QHCPKHFHSA-N 1 0 400.494 4.172 50 0 HIAARO c1ccc2c(c1)nc([C@H]1CCCO1)n2C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000011789770 845833344 /nfs/dbraw/zinc/83/33/44/845833344.db2.gz XEBSDNYAZSSWPM-HSZRJFAPSA-N 1 0 419.525 4.496 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccc2ccccc2c1 ZINC000011790493 845833790 /nfs/dbraw/zinc/83/37/90/845833790.db2.gz QXNGCQRFTNGPCD-XMMPIXPASA-N 1 0 415.537 4.178 50 0 HIAARO O=C(Nc1cccc(N2CCC([NH2+]CCc3cccs3)CC2)c1)c1ccncc1 ZINC000011842173 845837845 /nfs/dbraw/zinc/83/78/45/845837845.db2.gz YMZUBSZKIRPVNW-UHFFFAOYSA-N 1 0 406.555 4.197 50 0 HIAARO Cc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1C ZINC000011841428 845838317 /nfs/dbraw/zinc/83/83/17/845838317.db2.gz RLZCOEORTJMDIJ-QHCPKHFHSA-N 1 0 411.571 4.088 50 0 HIAARO CN(Cc1ccsc1)C(=O)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000011934578 845840797 /nfs/dbraw/zinc/84/07/97/845840797.db2.gz KALWOMFFTZWSOS-UHFFFAOYSA-N 1 0 421.566 4.459 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000011935933 845842028 /nfs/dbraw/zinc/84/20/28/845842028.db2.gz VZMARWKGSCRKOZ-FQEVSTJZSA-N 1 0 404.514 4.326 50 0 HIAARO CC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000012091850 845853129 /nfs/dbraw/zinc/85/31/29/845853129.db2.gz GLHGJFJZZXYWJW-AREMUKBSSA-N 1 0 404.554 4.450 50 0 HIAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(C)c1C ZINC000012112077 845854932 /nfs/dbraw/zinc/85/49/32/845854932.db2.gz KOMMJSDLGXHDEV-UHFFFAOYSA-N 1 0 410.562 4.474 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2nc(-c3ccccc3)cs2)c1 ZINC000012133449 845855840 /nfs/dbraw/zinc/85/58/40/845855840.db2.gz SOVUXHOXWUPVCA-HXUWFJFHSA-N 1 0 421.566 4.490 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCSC2)CC1 ZINC000012299228 845866052 /nfs/dbraw/zinc/86/60/52/845866052.db2.gz GJQFKRNCJGQMFA-INIZCTEOSA-N 1 0 401.494 4.399 50 0 HIAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000012302133 845867358 /nfs/dbraw/zinc/86/73/58/845867358.db2.gz OBFZJYJXSCOZEJ-UHFFFAOYSA-N 1 0 406.979 4.437 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)C2)c1 ZINC000012434161 845870058 /nfs/dbraw/zinc/87/00/58/845870058.db2.gz UYRHFLSOFWRRAY-RUZDIDTESA-N 1 0 418.541 4.008 50 0 HIAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000012439010 845871382 /nfs/dbraw/zinc/87/13/82/845871382.db2.gz JPZLGJIXJSNPGZ-UHFFFAOYSA-N 1 0 406.477 4.306 50 0 HIAARO c1cc(N2CCN(c3nncc(-c4ccc(C5CCCCC5)cc4)n3)CC2)cc[nH+]1 ZINC000012595550 845878341 /nfs/dbraw/zinc/87/83/41/845878341.db2.gz IICDEHWTWVMWON-UHFFFAOYSA-N 1 0 400.530 4.308 50 0 HIAARO Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCC[N@H+](CC4CCCCC4)C3)cc2)n1 ZINC000012711638 845884978 /nfs/dbraw/zinc/88/49/78/845884978.db2.gz XDKNOEJLIPFNQE-DEOSSOPVSA-N 1 0 408.590 4.323 50 0 HIAARO CCOc1c(Cl)cc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000012798773 845890095 /nfs/dbraw/zinc/89/00/95/845890095.db2.gz MSDHGZNDKRMDJW-JBVUFVISSA-N 1 0 414.933 4.151 50 0 HIAARO C[C@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](CC(C)(C)C)CC3)c2C1=O ZINC000014988134 845996679 /nfs/dbraw/zinc/99/66/79/845996679.db2.gz LSJWSRYRUDPJGR-MRXNPFEDSA-N 1 0 411.571 4.273 50 0 HIAARO COc1cccc(OC)c1C[NH2+][C@@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 ZINC000014990221 845996816 /nfs/dbraw/zinc/99/68/16/845996816.db2.gz CLAZBMSMJCGYOE-GOSISDBHSA-N 1 0 424.520 4.243 50 0 HIAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)[nH]n1 ZINC000015062033 846005010 /nfs/dbraw/zinc/00/50/10/846005010.db2.gz CLTCWPUAJLXGKF-QGZVFWFLSA-N 1 0 418.532 4.195 50 0 HIAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)o1 ZINC000015076346 846006331 /nfs/dbraw/zinc/00/63/31/846006331.db2.gz XPIVOGAXRLOAMP-LJQANCHMSA-N 1 0 406.530 4.287 50 0 HIAARO COc1ccc(F)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)c1 ZINC000019745277 846373233 /nfs/dbraw/zinc/37/32/33/846373233.db2.gz HGUCGSRCFNMJMP-UHFFFAOYSA-N 1 0 408.477 4.075 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020203256 846381197 /nfs/dbraw/zinc/38/11/97/846381197.db2.gz AQHGNHYAFSNFED-FIYNHDKVSA-N 1 0 409.549 4.134 50 0 HIAARO COc1ccc(CCNC(=O)C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)cc1OC ZINC000022241673 846548749 /nfs/dbraw/zinc/54/87/49/846548749.db2.gz GEKZHJJSWJWTBZ-LVZFUZTISA-N 1 0 422.569 4.178 50 0 HIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000022914616 846636681 /nfs/dbraw/zinc/63/66/81/846636681.db2.gz UEUAQPQXVCDSRI-FQEVSTJZSA-N 1 0 411.933 4.328 50 0 HIAARO CCCC[N@H+](C)[C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000023478644 846704705 /nfs/dbraw/zinc/70/47/05/846704705.db2.gz QJOVCQSXTPFTQN-GOSISDBHSA-N 1 0 407.583 4.387 50 0 HIAARO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000084170021 852544774 /nfs/dbraw/zinc/54/47/74/852544774.db2.gz CYGMWIPQMNNONM-UHFFFAOYSA-N 1 0 409.456 4.229 50 0 HIAARO O=C(/C=C\c1ccc(OCc2ccccn2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000098006697 852650000 /nfs/dbraw/zinc/65/00/00/852650000.db2.gz LDALBWYMLKPNAA-OVTQYCMBSA-N 1 0 413.521 4.065 50 0 HIAARO O=C(c1ccc(Cl)cc1)N1CCC(OC2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000169759122 853657263 /nfs/dbraw/zinc/65/72/63/853657263.db2.gz IFSIDKWSRMXWHI-UHFFFAOYSA-N 1 0 413.949 4.021 50 0 HIAARO O=C(NCCc1ccccc1)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000169760737 853657288 /nfs/dbraw/zinc/65/72/88/853657288.db2.gz DROXSDHGMQAYEY-UHFFFAOYSA-N 1 0 421.585 4.084 50 0 HIAARO O=C(c1ccccc1)N1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257175947 854233004 /nfs/dbraw/zinc/23/30/04/854233004.db2.gz ACGIJNSUBXLFRT-XMMPIXPASA-N 1 0 414.553 4.383 50 0 HIAARO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3-c3nc(C4CCOCC4)no3)C2)o1 ZINC000575314283 948642168 /nfs/dbraw/zinc/64/21/68/948642168.db2.gz JGVIHUAKDPICRQ-IBGZPJMESA-N 1 0 409.486 4.185 50 0 HIAARO CCn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3-c3nc(-c4ccccc4)no3)C2)cn1 ZINC000575314641 948642930 /nfs/dbraw/zinc/64/29/30/948642930.db2.gz PBKCOZHDFGCSIQ-HXUWFJFHSA-N 1 0 415.497 4.273 50 0 HIAARO COCCn1c(C)cnc1C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000575317178 948644638 /nfs/dbraw/zinc/64/46/38/948644638.db2.gz DJJBXSVGBCKEDB-GOSISDBHSA-N 1 0 411.468 4.191 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3c(C)cc(C)cc3Cl)cc2)CC1 ZINC000004998439 132298094 /nfs/dbraw/zinc/29/80/94/132298094.db2.gz JGBDAVOZYSVEQN-UHFFFAOYSA-N 1 0 401.938 4.116 50 0 HIAARO Cc1ccc(NC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1F ZINC000008595838 132330932 /nfs/dbraw/zinc/33/09/32/132330932.db2.gz CDUYTPKHOVMDAM-UHFFFAOYSA-N 1 0 407.493 4.387 50 0 HIAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]CCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012247106 132357789 /nfs/dbraw/zinc/35/77/89/132357789.db2.gz XIVAXOKODLDEKU-UHFFFAOYSA-N 1 0 419.491 4.208 50 0 HIAARO CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]CCCCCO ZINC000040730101 519777576 /nfs/dbraw/zinc/77/75/76/519777576.db2.gz VIKISIJVXCYAIM-UHFFFAOYSA-N 1 0 409.162 4.251 50 0 HIAARO CCCc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000032929394 521368779 /nfs/dbraw/zinc/36/87/79/521368779.db2.gz PMCDTRFYIYRADD-UHFFFAOYSA-N 1 0 414.557 4.169 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000019837972 523244922 /nfs/dbraw/zinc/24/49/22/523244922.db2.gz ASGMFNCUACDRNG-HXUWFJFHSA-N 1 0 408.521 4.131 50 0 HIAARO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)c1 ZINC000032565149 524102793 /nfs/dbraw/zinc/10/27/93/524102793.db2.gz OJMQEISJSQJBHH-GGAORHGYSA-N 1 0 413.993 4.214 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000032907663 524161362 /nfs/dbraw/zinc/16/13/62/524161362.db2.gz XGNQPWLSBXVQSI-NRFANRHFSA-N 1 0 424.932 4.306 50 0 HIAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000040739107 525071169 /nfs/dbraw/zinc/07/11/69/525071169.db2.gz QCIRNTPFABZITR-UHFFFAOYSA-N 1 0 404.466 4.031 50 0 HIAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3C[C@H]4C[C@@H]3CCC4)CC2)CC1 ZINC000020540616 525138324 /nfs/dbraw/zinc/13/83/24/525138324.db2.gz BOYNBWVZRBJUDI-BWKNWUBXSA-N 1 0 409.618 4.072 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000040160822 525187719 /nfs/dbraw/zinc/18/77/19/525187719.db2.gz NAQWYLQCTBYLHD-GOSISDBHSA-N 1 0 408.329 4.354 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(OC)cc3c2C)[NH+]2CCCC2)cc1 ZINC000024750473 525358532 /nfs/dbraw/zinc/35/85/32/525358532.db2.gz QGEYIMYIIZVSSS-NRFANRHFSA-N 1 0 408.498 4.325 50 0 HIAARO Cc1ccc([C@H]([NH2+]CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1C ZINC000040161555 525968265 /nfs/dbraw/zinc/96/82/65/525968265.db2.gz DTYPXUBUSGYZBW-RUZDIDTESA-N 1 0 402.494 4.028 50 0 HIAARO CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032622743 526077254 /nfs/dbraw/zinc/07/72/54/526077254.db2.gz QSFPDNQEHQDKEI-FQEVSTJZSA-N 1 0 408.523 4.012 50 0 HIAARO NC(=O)c1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21 ZINC000032809992 527029845 /nfs/dbraw/zinc/02/98/45/527029845.db2.gz KNSUVEUDTBGVES-UHFFFAOYSA-N 1 0 422.532 4.245 50 0 HIAARO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044938336 527224609 /nfs/dbraw/zinc/22/46/09/527224609.db2.gz HFGDXBBYQRCELN-UHFFFAOYSA-N 1 0 411.933 4.318 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000000934778 557120126 /nfs/dbraw/zinc/12/01/26/557120126.db2.gz HWUDVBHHSWCXAL-IBGZPJMESA-N 1 0 412.331 4.415 50 0 HIAARO CCCc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000001031181 557147198 /nfs/dbraw/zinc/14/71/98/557147198.db2.gz VFNCEEJPGNSZGB-UHFFFAOYSA-N 1 0 402.542 4.219 50 0 HIAARO CC(C)C[NH+]1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000034683703 557386885 /nfs/dbraw/zinc/38/68/85/557386885.db2.gz BTQQBUOVHADNLD-UHFFFAOYSA-N 1 0 408.514 4.281 50 0 HIAARO COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740518 557443977 /nfs/dbraw/zinc/44/39/77/557443977.db2.gz HTQWRLSEVGPVIZ-SIKLNZKXSA-N 1 0 418.578 4.234 50 0 HIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000004666463 557578619 /nfs/dbraw/zinc/57/86/19/557578619.db2.gz ZYLXKAOIMUAELK-UHFFFAOYSA-N 1 0 420.509 4.356 50 0 HIAARO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000004670905 557579293 /nfs/dbraw/zinc/57/92/93/557579293.db2.gz NAKZDLJFCJYIBG-BUBBNXEVSA-N 1 0 421.379 4.008 50 0 HIAARO O=C(c1cccc2ccccc21)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004700732 557583625 /nfs/dbraw/zinc/58/36/25/557583625.db2.gz UEDMULSDAFVLEL-UHFFFAOYSA-N 1 0 413.565 4.262 50 0 HIAARO CCc1ccc2nc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)sc2c1 ZINC000004757397 557594571 /nfs/dbraw/zinc/59/45/71/557594571.db2.gz AOSGKMKLQRYSQH-UHFFFAOYSA-N 1 0 414.619 4.067 50 0 HIAARO Clc1ccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000006746691 557718883 /nfs/dbraw/zinc/71/88/83/557718883.db2.gz KNDFILOFIZERPW-UHFFFAOYSA-N 1 0 411.918 4.458 50 0 HIAARO COc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccccc1F ZINC000010314047 557859537 /nfs/dbraw/zinc/85/95/37/557859537.db2.gz GOEIEBCJEAUEDC-UHFFFAOYSA-N 1 0 403.885 4.443 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000019743695 558264176 /nfs/dbraw/zinc/26/41/76/558264176.db2.gz OGDQANYWOLQFNA-QGZVFWFLSA-N 1 0 405.498 4.182 50 0 HIAARO COc1ccc(-n2cc(C[NH2+][C@H](C)Cc3cnccn3)c(-c3cccc(F)c3)n2)cc1 ZINC000019743523 558264290 /nfs/dbraw/zinc/26/42/90/558264290.db2.gz MFMYOWFHYRRGHB-QGZVFWFLSA-N 1 0 417.488 4.198 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccc(OC)c(C)c2)cc1 ZINC000011771144 558274304 /nfs/dbraw/zinc/27/43/04/558274304.db2.gz GJSWKGYGAWSCDO-UHFFFAOYSA-N 1 0 410.558 4.039 50 0 HIAARO COc1cc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc(OC)c1OC ZINC000019781898 558281331 /nfs/dbraw/zinc/28/13/31/558281331.db2.gz KHPCMPXWFMGITC-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000011818968 558282187 /nfs/dbraw/zinc/28/21/87/558282187.db2.gz KKMJTFJMNONCSE-QFIPXVFZSA-N 1 0 402.542 4.464 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1cc(C2CC2)on1 ZINC000011838678 558285614 /nfs/dbraw/zinc/28/56/14/558285614.db2.gz IWRRMAGFPMDZBO-UHFFFAOYSA-N 1 0 401.938 4.232 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@H](C)Cc2ccc(O)cc2)CC1 ZINC000011840275 558286497 /nfs/dbraw/zinc/28/64/97/558286497.db2.gz BWELBBDNTSLNFM-HXUWFJFHSA-N 1 0 411.542 4.438 50 0 HIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000011844485 558289347 /nfs/dbraw/zinc/28/93/47/558289347.db2.gz MLVJVBPVGNBVNB-QFIPXVFZSA-N 1 0 421.585 4.428 50 0 HIAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1 ZINC000011936996 558300736 /nfs/dbraw/zinc/30/07/36/558300736.db2.gz VDPXFYDCFDINBZ-LJQANCHMSA-N 1 0 402.498 4.428 50 0 HIAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1C ZINC000011950117 558302724 /nfs/dbraw/zinc/30/27/24/558302724.db2.gz CNLZRKPRZFMFGY-HSZRJFAPSA-N 1 0 415.541 4.186 50 0 HIAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000011967203 558304272 /nfs/dbraw/zinc/30/42/72/558304272.db2.gz FFIQRWCKWSPOBU-LJQANCHMSA-N 1 0 406.448 4.385 50 0 HIAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cccc(F)c3)CC2)c(OC)c1C ZINC000011970523 558304671 /nfs/dbraw/zinc/30/46/71/558304671.db2.gz NAMKRNMTLLAGIK-FQEVSTJZSA-N 1 0 412.505 4.392 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccc(OC(F)(F)F)c1 ZINC000011976730 558305594 /nfs/dbraw/zinc/30/55/94/558305594.db2.gz MPBIHJRXKHMYEU-QGZVFWFLSA-N 1 0 410.411 4.395 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000012051806 558314414 /nfs/dbraw/zinc/31/44/14/558314414.db2.gz ADSZDSAFGHEMGK-IERDGZPVSA-N 1 0 414.933 4.359 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012058198 558316669 /nfs/dbraw/zinc/31/66/69/558316669.db2.gz CGTZNVWMKTXKKG-UHFFFAOYSA-N 1 0 424.541 4.259 50 0 HIAARO C[N@@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@H]1COCCO1 ZINC000012075431 558319670 /nfs/dbraw/zinc/31/96/70/558319670.db2.gz IEEPGKYRSWFKMV-IBGZPJMESA-N 1 0 415.896 4.179 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000012093381 558324808 /nfs/dbraw/zinc/32/48/08/558324808.db2.gz NHZWHJJWQIXQKW-LJQANCHMSA-N 1 0 409.505 4.424 50 0 HIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CCn2cccn2)c1 ZINC000012094510 558325020 /nfs/dbraw/zinc/32/50/20/558325020.db2.gz CYJCKKJGRWWOMN-LJQANCHMSA-N 1 0 401.514 4.313 50 0 HIAARO COc1cc(C)c(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc1C ZINC000012163619 558342208 /nfs/dbraw/zinc/34/22/08/558342208.db2.gz ZFSCKWGLCSZWCA-HSZRJFAPSA-N 1 0 422.569 4.256 50 0 HIAARO c1ccc(CC[N@@H+]2CCC[C@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211746 558347754 /nfs/dbraw/zinc/34/77/54/558347754.db2.gz BHVJAZKNZTXMOM-VWLOTQADSA-N 1 0 402.542 4.267 50 0 HIAARO Cc1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)nc1C ZINC000012206107 558352743 /nfs/dbraw/zinc/35/27/43/558352743.db2.gz NPBYVFANTMHXHL-UHFFFAOYSA-N 1 0 421.570 4.376 50 0 HIAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1Cl ZINC000020293717 558354175 /nfs/dbraw/zinc/35/41/75/558354175.db2.gz PUNFMLSCVRFYFW-JOCHJYFZSA-N 1 0 410.945 4.364 50 0 HIAARO Cc1cccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020322244 558355198 /nfs/dbraw/zinc/35/51/98/558355198.db2.gz FFSCOSGWUPJUSG-RUZDIDTESA-N 1 0 416.565 4.142 50 0 HIAARO CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012297323 558367341 /nfs/dbraw/zinc/36/73/41/558367341.db2.gz QXGQIIHHFLDWPF-JOCHJYFZSA-N 1 0 401.554 4.191 50 0 HIAARO CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012297324 558367395 /nfs/dbraw/zinc/36/73/95/558367395.db2.gz QXGQIIHHFLDWPF-QFIPXVFZSA-N 1 0 401.554 4.191 50 0 HIAARO Cc1noc(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012297677 558367605 /nfs/dbraw/zinc/36/76/05/558367605.db2.gz GMTPFRFMGIVVFJ-VWLOTQADSA-N 1 0 409.574 4.171 50 0 HIAARO COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000020454132 558368082 /nfs/dbraw/zinc/36/80/82/558368082.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 1 0 404.558 4.322 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1cnc2ccccc2c1 ZINC000012300032 558370120 /nfs/dbraw/zinc/37/01/20/558370120.db2.gz LDYKXVPEFCWKOC-UHFFFAOYSA-N 1 0 405.517 4.401 50 0 HIAARO COc1ccc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000012363300 558387394 /nfs/dbraw/zinc/38/73/94/558387394.db2.gz WIDPDFCJYLWUFS-OYRHEFFESA-N 1 0 424.585 4.348 50 0 HIAARO COc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012373060 558390624 /nfs/dbraw/zinc/39/06/24/558390624.db2.gz HKXVPMJSONJXAJ-UHFFFAOYSA-N 1 0 408.477 4.120 50 0 HIAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](CCCn4cccn4)CC3)c2)c1 ZINC000012386662 558395574 /nfs/dbraw/zinc/39/55/74/558395574.db2.gz YAOTZEQXZJBQTC-UHFFFAOYSA-N 1 0 418.541 4.300 50 0 HIAARO Cc1cccc(-c2ncc(C[N@@H+]3CCC[C@@](CO)(Cc4ccc(F)cc4)C3)cn2)c1 ZINC000012438731 558410071 /nfs/dbraw/zinc/41/00/71/558410071.db2.gz JTBJYRAIHZBAAS-RUZDIDTESA-N 1 0 405.517 4.408 50 0 HIAARO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412034 /nfs/dbraw/zinc/41/20/34/558412034.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 1 0 400.538 4.229 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCCc1ccccc1 ZINC000012445425 558413676 /nfs/dbraw/zinc/41/36/76/558413676.db2.gz DHSBQALEGADBLS-UHFFFAOYSA-N 1 0 404.558 4.381 50 0 HIAARO CN(C(=O)/C=C/c1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012465800 558420401 /nfs/dbraw/zinc/42/04/01/558420401.db2.gz PASRBAWEDYJUOL-SJFMBGHLSA-N 1 0 417.578 4.400 50 0 HIAARO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4c(F)cccc4Cl)C3)CC2)cc1 ZINC000020914356 558422387 /nfs/dbraw/zinc/42/23/87/558422387.db2.gz POGFPQYAXYSALT-IBGZPJMESA-N 1 0 405.920 4.405 50 0 HIAARO O=C(C1CC[NH+](C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1 ZINC000012704060 558448947 /nfs/dbraw/zinc/44/89/47/558448947.db2.gz MHGKAUKUMDPKIR-UHFFFAOYSA-N 1 0 423.523 4.004 50 0 HIAARO O=C(c1ccccc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012713024 558453566 /nfs/dbraw/zinc/45/35/66/558453566.db2.gz DZYSXALNBDLFKZ-SANMLTNESA-N 1 0 418.581 4.187 50 0 HIAARO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1C ZINC000012746328 558457998 /nfs/dbraw/zinc/45/79/98/558457998.db2.gz LBZZCVRIHQEBFL-HXUWFJFHSA-N 1 0 410.558 4.039 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794537 558467712 /nfs/dbraw/zinc/46/77/12/558467712.db2.gz FKAUAKAPAYJVPS-OFVILXPXSA-N 1 0 408.542 4.328 50 0 HIAARO C[C@H](C(=O)NCc1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022774461 558509137 /nfs/dbraw/zinc/50/91/37/558509137.db2.gz PAPXPQUVLHPRJZ-HXUWFJFHSA-N 1 0 419.594 4.160 50 0 HIAARO CN(Cc1cccs1)C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022914067 558520821 /nfs/dbraw/zinc/52/08/21/558520821.db2.gz XRWZBFLNFMEWOS-UHFFFAOYSA-N 1 0 419.594 4.114 50 0 HIAARO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022915985 558521441 /nfs/dbraw/zinc/52/14/41/558521441.db2.gz WGUBNMSRTVVRRM-MRXNPFEDSA-N 1 0 406.357 4.181 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000023114203 558534817 /nfs/dbraw/zinc/53/48/17/558534817.db2.gz NOCTXTYLNWYUMK-DEOSSOPVSA-N 1 0 403.526 4.474 50 0 HIAARO OCC[NH2+]CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000023469469 558559188 /nfs/dbraw/zinc/55/91/88/558559188.db2.gz FDYCEIBOHKBACL-UHFFFAOYSA-N 1 0 419.352 4.397 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)C1 ZINC000023673286 558566767 /nfs/dbraw/zinc/56/67/67/558566767.db2.gz HAWAYNLAKCFLMC-MRXNPFEDSA-N 1 0 409.983 4.080 50 0 HIAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023763810 558575367 /nfs/dbraw/zinc/57/53/67/558575367.db2.gz RJXORNLKYVTBSM-LJQANCHMSA-N 1 0 421.969 4.022 50 0 HIAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717745 558580288 /nfs/dbraw/zinc/58/02/88/558580288.db2.gz LTSGTJOCVVTLNN-QGZVFWFLSA-N 1 0 401.470 4.314 50 0 HIAARO c1nc2ccccc2n1-c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000023908824 558581341 /nfs/dbraw/zinc/58/13/41/558581341.db2.gz HABSEDLBDJHLNA-XMMPIXPASA-N 1 0 412.537 4.016 50 0 HIAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)cc1 ZINC000013729528 558585800 /nfs/dbraw/zinc/58/58/00/558585800.db2.gz DHUDIOOPZVKXEM-UHFFFAOYSA-N 1 0 401.514 4.369 50 0 HIAARO CC(C)Sc1nc2c3c(sc2c2nnc(SCC[NH+](C)C)n21)CCCC3 ZINC000013736159 558588546 /nfs/dbraw/zinc/58/85/46/558588546.db2.gz MLVXZMUPLSBUEV-UHFFFAOYSA-N 1 0 407.634 4.372 50 0 HIAARO CCOc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccc(Cl)cc1 ZINC000013736677 558588802 /nfs/dbraw/zinc/58/88/02/558588802.db2.gz HBXPCRRIFJPOOZ-UHFFFAOYSA-N 1 0 418.965 4.130 50 0 HIAARO O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024980828 558624201 /nfs/dbraw/zinc/62/42/01/558624201.db2.gz YJZCJYNCSUUSTE-UHFFFAOYSA-N 1 0 402.542 4.107 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000024991845 558626112 /nfs/dbraw/zinc/62/61/12/558626112.db2.gz QLNFYVQHKBHVAW-OAQYLSRUSA-N 1 0 421.545 4.440 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014200514 558636182 /nfs/dbraw/zinc/63/61/82/558636182.db2.gz CHIRBGOTXNWBAH-UHFFFAOYSA-N 1 0 400.526 4.144 50 0 HIAARO CC[C@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1Cc1ccccc1)[NH+](C)C ZINC000014230993 558639894 /nfs/dbraw/zinc/63/98/94/558639894.db2.gz GCMKIJQWNPIWAM-JOCHJYFZSA-N 1 0 421.614 4.491 50 0 HIAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCC(C)C ZINC000014532629 558656632 /nfs/dbraw/zinc/65/66/32/558656632.db2.gz RZQMDXHMVQIGTI-LJQANCHMSA-N 1 0 415.578 4.139 50 0 HIAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)c(F)c1)C2 ZINC000014534444 558657576 /nfs/dbraw/zinc/65/75/76/558657576.db2.gz VAMZBWYXFGQKTL-IBGZPJMESA-N 1 0 412.553 4.014 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000014628522 558662257 /nfs/dbraw/zinc/66/22/57/558662257.db2.gz ACHOKVSKLMXIMU-IBGZPJMESA-N 1 0 403.320 4.025 50 0 HIAARO C[C@@H](CC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C)c1ccccc1 ZINC000014753674 558671580 /nfs/dbraw/zinc/67/15/80/558671580.db2.gz WDGDABBXDOSWJO-FQEVSTJZSA-N 1 0 405.542 4.109 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000014950248 558680776 /nfs/dbraw/zinc/68/07/76/558680776.db2.gz KZSDQGHOESZZTP-UHFFFAOYSA-N 1 0 424.589 4.112 50 0 HIAARO COc1ccc2c(c1)C=C(C[NH+]1CCC(CO)(Cc3ccccc3Cl)CC1)CO2 ZINC000014951077 558680965 /nfs/dbraw/zinc/68/09/65/558680965.db2.gz VSMKWOIFYDZBNO-UHFFFAOYSA-N 1 0 413.945 4.442 50 0 HIAARO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027747499 558681501 /nfs/dbraw/zinc/68/15/01/558681501.db2.gz JMEUGNXCPMEOFK-FGZHOGPDSA-N 1 0 414.521 4.335 50 0 HIAARO CC1(C)CC([NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000014961517 558684050 /nfs/dbraw/zinc/68/40/50/558684050.db2.gz ONPPEXUIOHGOPL-KRWDZBQOSA-N 1 0 402.583 4.100 50 0 HIAARO Cc1cccc(-n2cc(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000014974721 558688829 /nfs/dbraw/zinc/68/88/29/558688829.db2.gz HNGLTBBVRDPYAL-JOCHJYFZSA-N 1 0 420.532 4.476 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccs1 ZINC000014990356 558694146 /nfs/dbraw/zinc/69/41/46/558694146.db2.gz WCOKROSCDJIRSM-QGZVFWFLSA-N 1 0 402.560 4.188 50 0 HIAARO CC1(C)C[C@H](C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)CCO1 ZINC000015063929 558706796 /nfs/dbraw/zinc/70/67/96/558706796.db2.gz GXPIDJAAOLVPRI-LJQANCHMSA-N 1 0 416.562 4.094 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cccnc2C)CC1 ZINC000015066084 558709185 /nfs/dbraw/zinc/70/91/85/558709185.db2.gz ZQFSARKAOAUMJJ-UHFFFAOYSA-N 1 0 409.574 4.409 50 0 HIAARO COC(=O)c1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000015071798 558713144 /nfs/dbraw/zinc/71/31/44/558713144.db2.gz ZZLZHMWVQJFKAB-DNQXCXABSA-N 1 0 420.553 4.234 50 0 HIAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4cccc5cccnc54)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000015076958 558716902 /nfs/dbraw/zinc/71/69/02/558716902.db2.gz BPVSAWGOFLSTQX-CHZKFRDHSA-N 1 0 413.521 4.181 50 0 HIAARO CC(C)C[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000004554474 558722157 /nfs/dbraw/zinc/72/21/57/558722157.db2.gz BROBFOHYQCOUCZ-AWEZNQCLSA-N 1 0 417.550 4.448 50 0 HIAARO CCOc1ccc(CCNC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1OCC ZINC000015261683 558729939 /nfs/dbraw/zinc/72/99/39/558729939.db2.gz HSWSKPZINSWVSP-QFIPXVFZSA-N 1 0 410.558 4.152 50 0 HIAARO CC[N@H+](Cc1ccc(S(C)(=O)=O)c(OC)c1)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072304909 558756700 /nfs/dbraw/zinc/75/67/00/558756700.db2.gz UMDFJSYHTNSUKY-OAQYLSRUSA-N 1 0 401.572 4.250 50 0 HIAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087237 558760719 /nfs/dbraw/zinc/76/07/19/558760719.db2.gz SWBPSFDZVGMFOA-FQEVSTJZSA-N 1 0 400.494 4.206 50 0 HIAARO CCCN(C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000072305984 558762536 /nfs/dbraw/zinc/76/25/36/558762536.db2.gz KCTUDDRADGFOCX-VXKWHMMOSA-N 1 0 416.610 4.276 50 0 HIAARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(Br)cc2)cc1 ZINC000016739925 558803128 /nfs/dbraw/zinc/80/31/28/558803128.db2.gz NADVNKMTNXNWRI-OAQYLSRUSA-N 1 0 400.340 4.408 50 0 HIAARO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017090854 558819594 /nfs/dbraw/zinc/81/95/94/558819594.db2.gz QIVQLPZXRXABSV-SHUWCMERSA-N 1 0 416.631 4.475 50 0 HIAARO O=C(CCC(=O)c1ccc(Br)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000060186132 558827307 /nfs/dbraw/zinc/82/73/07/558827307.db2.gz NPYQPFNDHFNDCT-UHFFFAOYSA-N 1 0 421.379 4.183 50 0 HIAARO CC(C)c1csc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000019223685 558852282 /nfs/dbraw/zinc/85/22/82/558852282.db2.gz ROQLYAGWGZESHR-FQEVSTJZSA-N 1 0 402.583 4.192 50 0 HIAARO O[C@@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019229387 558853464 /nfs/dbraw/zinc/85/34/64/558853464.db2.gz WVRPUXZKFNELFC-UIOOFZCWSA-N 1 0 405.513 4.372 50 0 HIAARO CCn1nc(C(=O)N(CCC[NH+](C)C)c2nc3c(s2)c(Cl)ccc3C)cc1C ZINC000013703054 558857227 /nfs/dbraw/zinc/85/72/27/558857227.db2.gz INTGHFLZCSZDBY-UHFFFAOYSA-N 1 0 419.982 4.381 50 0 HIAARO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1CCCc1ccccc1 ZINC000019301075 558866479 /nfs/dbraw/zinc/86/64/79/558866479.db2.gz KAGRLDWQDPNAME-HSZRJFAPSA-N 1 0 421.610 4.312 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc21 ZINC000033106353 558874022 /nfs/dbraw/zinc/87/40/22/558874022.db2.gz XRPVJCDXZJNIDM-UHFFFAOYSA-N 1 0 418.541 4.240 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnn(C)c2)Cc2cccnc2)CC1 ZINC000055154407 558874476 /nfs/dbraw/zinc/87/44/76/558874476.db2.gz GSJURLMKVBHUPU-UHFFFAOYSA-N 1 0 403.574 4.038 50 0 HIAARO CC1(C)C[C@]1(C[NH2+]Cc1c(C(=O)N2CCCC2)nc2ccccn21)c1ccccc1 ZINC000055154016 558874497 /nfs/dbraw/zinc/87/44/97/558874497.db2.gz RGKIAPXDZYLYNI-VWLOTQADSA-N 1 0 402.542 4.028 50 0 HIAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000055529341 558881749 /nfs/dbraw/zinc/88/17/49/558881749.db2.gz DRURQEURDWWXKK-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000060470596 558886172 /nfs/dbraw/zinc/88/61/72/558886172.db2.gz JUHHRNPTLBWVSN-OAHLLOKOSA-N 1 0 419.294 4.347 50 0 HIAARO COCCC[N@@H+]1CCc2nc(SCc3ccc(C(C)(C)C)cc3)[nH]c(=O)c2C1 ZINC000033141652 558893300 /nfs/dbraw/zinc/89/33/00/558893300.db2.gz DHQGLUZZAQQENA-UHFFFAOYSA-N 1 0 401.576 4.167 50 0 HIAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000058005490 558894483 /nfs/dbraw/zinc/89/44/83/558894483.db2.gz CILCPTKESVBLBU-NHCUHLMSSA-N 1 0 422.569 4.355 50 0 HIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cnc2ccccc2n1 ZINC000058143229 558901732 /nfs/dbraw/zinc/90/17/32/558901732.db2.gz DVYUPDDVMLCEFR-UHFFFAOYSA-N 1 0 423.520 4.204 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc2ccccc21 ZINC000058169311 558907924 /nfs/dbraw/zinc/90/79/24/558907924.db2.gz LKSDQROBRMTZIX-CQSZACIVSA-N 1 0 407.539 4.168 50 0 HIAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CSc2ccc(F)cc2)CC1 ZINC000058180528 558910284 /nfs/dbraw/zinc/91/02/84/558910284.db2.gz GBZACYCYEQXZRR-MRXNPFEDSA-N 1 0 419.541 4.076 50 0 HIAARO Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000058210518 558912205 /nfs/dbraw/zinc/91/22/05/558912205.db2.gz GPHHBBXCGVUBQF-QGZVFWFLSA-N 1 0 414.481 4.072 50 0 HIAARO COc1ccc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000058434989 558927147 /nfs/dbraw/zinc/92/71/47/558927147.db2.gz PLDMDBHJGXCTHW-VFNWGFHPSA-N 1 0 424.438 4.466 50 0 HIAARO O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374169 558941866 /nfs/dbraw/zinc/94/18/66/558941866.db2.gz ITDUGMZUCKCMPC-GOSISDBHSA-N 1 0 410.905 4.096 50 0 HIAARO COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1OC ZINC000019593626 558944642 /nfs/dbraw/zinc/94/46/42/558944642.db2.gz ISYUZMBSRMYBTI-UHFFFAOYSA-N 1 0 423.542 4.183 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916006 558972122 /nfs/dbraw/zinc/97/21/22/558972122.db2.gz VRGVPCPFKVXJCS-JOCHJYFZSA-N 1 0 420.557 4.276 50 0 HIAARO COCc1ncc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072454027 558982799 /nfs/dbraw/zinc/98/27/99/558982799.db2.gz MGRSGYIJOWZKDS-UHFFFAOYSA-N 1 0 417.557 4.115 50 0 HIAARO Clc1ccc(-c2noc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c32)cc1 ZINC000096793211 558990700 /nfs/dbraw/zinc/99/07/00/558990700.db2.gz PXQARVWCNPVBQL-UHFFFAOYSA-N 1 0 405.889 4.260 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1)NC[C@H]1CCCO1 ZINC000067755062 558992233 /nfs/dbraw/zinc/99/22/33/558992233.db2.gz CQBJNKZNHJWMIC-HXUWFJFHSA-N 1 0 413.587 4.098 50 0 HIAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC(C)(C)C1 ZINC000022467484 558996180 /nfs/dbraw/zinc/99/61/80/558996180.db2.gz XXQPFLGJWKRVOP-STZQEDGTSA-N 1 0 409.014 4.050 50 0 HIAARO Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387104 559003382 /nfs/dbraw/zinc/00/33/82/559003382.db2.gz LTFCWMZERYFMCR-DEOSSOPVSA-N 1 0 406.505 4.139 50 0 HIAARO CC1CC[NH+](CCCNC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)CC1 ZINC000033278977 559042401 /nfs/dbraw/zinc/04/24/01/559042401.db2.gz QQNFJQULDZXKEK-UHFFFAOYSA-N 1 0 422.504 4.395 50 0 HIAARO Cc1cccc(CC[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095498286 559081809 /nfs/dbraw/zinc/08/18/09/559081809.db2.gz VGCOVEAYFMKBLU-SFHVURJKSA-N 1 0 401.501 4.019 50 0 HIAARO C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903309 559088739 /nfs/dbraw/zinc/08/87/39/559088739.db2.gz BHBWNYBKKMRJJJ-OFVILXPXSA-N 1 0 423.576 4.099 50 0 HIAARO Cn1c(/C=C\C(=C/C=C2N(C)c3ccccc3N2C)CCCO)[n+](C)c2ccccc21 ZINC000095913086 559088922 /nfs/dbraw/zinc/08/89/22/559088922.db2.gz BRNALHCEEYHLDH-UHFFFAOYSA-N 1 0 415.561 4.143 50 0 HIAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000011614671 559114490 /nfs/dbraw/zinc/11/44/90/559114490.db2.gz PELMNQDQRYVEAL-SFHVURJKSA-N 1 0 417.292 4.207 50 0 HIAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CCCCC1 ZINC000023484548 559176304 /nfs/dbraw/zinc/17/63/04/559176304.db2.gz BCGUCPUAVABRDW-OAQYLSRUSA-N 1 0 421.585 4.073 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1OC ZINC000113399137 559180540 /nfs/dbraw/zinc/18/05/40/559180540.db2.gz KDBWJOFYJDOUAF-UHFFFAOYSA-N 1 0 418.335 4.455 50 0 HIAARO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000024023066 559187805 /nfs/dbraw/zinc/18/78/05/559187805.db2.gz PTPJPFHCUFPKNJ-XMMPIXPASA-N 1 0 421.516 4.266 50 0 HIAARO COc1ccc2nc3sc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc3cc2c1 ZINC000004901186 559199635 /nfs/dbraw/zinc/19/96/35/559199635.db2.gz BJGOETFTEQYSRR-UHFFFAOYSA-N 1 0 405.523 4.320 50 0 HIAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000005043318 559236165 /nfs/dbraw/zinc/23/61/65/559236165.db2.gz RBGLCFXSNPLXDM-UHFFFAOYSA-N 1 0 403.526 4.487 50 0 HIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)nc21 ZINC000005121686 559248559 /nfs/dbraw/zinc/24/85/59/559248559.db2.gz BLMOTFARAMYHLV-CSKARUKUSA-N 1 0 401.557 4.283 50 0 HIAARO COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248154669 559265716 /nfs/dbraw/zinc/26/57/16/559265716.db2.gz HTQWRLSEVGPVIZ-KNQAVFIVSA-N 1 0 418.578 4.234 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2)CC1 ZINC000005247219 560550784 /nfs/dbraw/zinc/55/07/84/560550784.db2.gz SJTYRCYYJQHBQU-UHFFFAOYSA-N 1 0 413.521 4.312 50 0 HIAARO COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1OCc1ccccc1 ZINC000017794487 560728335 /nfs/dbraw/zinc/72/83/35/560728335.db2.gz ITFYPYSTFQSWGD-QFIPXVFZSA-N 1 0 422.500 4.446 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc1 ZINC000017911469 560730505 /nfs/dbraw/zinc/73/05/05/560730505.db2.gz WVQNHEYYYKKELK-IBGZPJMESA-N 1 0 423.340 4.334 50 0 HIAARO COc1cccc([C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000105050449 560860788 /nfs/dbraw/zinc/86/07/88/560860788.db2.gz WPIGZZKBOSUYGD-OFNKIYASSA-N 1 0 400.588 4.477 50 0 HIAARO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000106088141 560884612 /nfs/dbraw/zinc/88/46/12/560884612.db2.gz PCMKHSHIQMIDNP-GJZGRUSLSA-N 1 0 415.347 4.126 50 0 HIAARO COc1ccc(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1OC ZINC000047778184 568431298 /nfs/dbraw/zinc/43/12/98/568431298.db2.gz ZXLRCTJXPOCDSK-OALUTQOASA-N 1 0 412.574 4.480 50 0 HIAARO CCCC[N@H+](C)CC1CCN(c2ncnc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000048263190 568433709 /nfs/dbraw/zinc/43/37/09/568433709.db2.gz UIUWURBJVJMUIO-UHFFFAOYSA-N 1 0 404.580 4.125 50 0 HIAARO COc1cc(-c2n[nH]cc2C[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc(OC)c1OC ZINC000012305937 568464477 /nfs/dbraw/zinc/46/44/77/568464477.db2.gz FGDZEMZVOBGQGU-UHFFFAOYSA-N 1 0 424.476 4.355 50 0 HIAARO COc1ccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)cc1OC ZINC000000819079 568496676 /nfs/dbraw/zinc/49/66/76/568496676.db2.gz DMDLRKLQGORAGS-UHFFFAOYSA-N 1 0 402.292 4.479 50 0 HIAARO COc1ccc([C@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446960 568608438 /nfs/dbraw/zinc/60/84/38/568608438.db2.gz CZTTXQZGPVVVHN-XZOQPEGZSA-N 1 0 403.950 4.308 50 0 HIAARO C[C@@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000095459800 568620058 /nfs/dbraw/zinc/62/00/58/568620058.db2.gz LSQIUJRYJRIVFC-SFHVURJKSA-N 1 0 407.489 4.076 50 0 HIAARO Cc1ncc(C[NH2+]Cc2ccccc2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095473614 568628918 /nfs/dbraw/zinc/62/89/18/568628918.db2.gz SIZYYTSXLGTUDA-UHFFFAOYSA-N 1 0 414.461 4.428 50 0 HIAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CC[NH+](C)CC3)c2cc1C ZINC000095474467 568629417 /nfs/dbraw/zinc/62/94/17/568629417.db2.gz AWJJQBCFPKLYID-UHFFFAOYSA-N 1 0 417.509 4.274 50 0 HIAARO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095480917 568633714 /nfs/dbraw/zinc/63/37/14/568633714.db2.gz GPELFFLRZOQZJN-UHFFFAOYSA-N 1 0 422.960 4.362 50 0 HIAARO COc1ccc(NC(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020766644 568643216 /nfs/dbraw/zinc/64/32/16/568643216.db2.gz ACUVUDWJWJUPDC-UHFFFAOYSA-N 1 0 413.521 4.021 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000020941425 568652611 /nfs/dbraw/zinc/65/26/11/568652611.db2.gz HRJGRMSMBWNZNH-IBGZPJMESA-N 1 0 412.578 4.434 50 0 HIAARO O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc2c1SCCC2=O ZINC000021103237 568666728 /nfs/dbraw/zinc/66/67/28/568666728.db2.gz AMUPEWJMLYFZNN-UHFFFAOYSA-N 1 0 412.530 4.146 50 0 HIAARO CC(C)(C)CC(=O)N1CCC([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000095964964 568670766 /nfs/dbraw/zinc/67/07/66/568670766.db2.gz FFYWTYSGBZKHND-UHFFFAOYSA-N 1 0 414.590 4.286 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021148201 568671965 /nfs/dbraw/zinc/67/19/65/568671965.db2.gz KDFAJTJSIKTAOD-UPVQGACJSA-N 1 0 419.569 4.029 50 0 HIAARO C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227156222 568699573 /nfs/dbraw/zinc/69/95/73/568699573.db2.gz TXXYCCYHVIPQLF-KFWWJZLASA-N 1 0 420.351 4.200 50 0 HIAARO Cc1cc(C)n(CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183691 568703105 /nfs/dbraw/zinc/70/31/05/568703105.db2.gz DBZBSHWTWXKLFQ-SANMLTNESA-N 1 0 416.569 4.051 50 0 HIAARO Cc1ccc(-c2nocc2CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096386657 568743222 /nfs/dbraw/zinc/74/32/22/568743222.db2.gz IYGNBCCJIIGOLT-UHFFFAOYSA-N 1 0 403.526 4.363 50 0 HIAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)c1 ZINC000247883201 568745924 /nfs/dbraw/zinc/74/59/24/568745924.db2.gz CONXVRDRFBNNFW-OAQYLSRUSA-N 1 0 404.558 4.454 50 0 HIAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248167649 568747855 /nfs/dbraw/zinc/74/78/55/568747855.db2.gz PHBICHXNVNTSQH-HXUWFJFHSA-N 1 0 420.557 4.154 50 0 HIAARO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248177247 568747860 /nfs/dbraw/zinc/74/78/60/568747860.db2.gz ZNXSJUXGYXTUPM-NRFANRHFSA-N 1 0 404.558 4.454 50 0 HIAARO O=C(/C=C\c1cc(Br)ccc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000096402073 568750318 /nfs/dbraw/zinc/75/03/18/568750318.db2.gz NMOJSMWRZCUMKN-YVMONPNESA-N 1 0 409.343 4.372 50 0 HIAARO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000022573345 568769969 /nfs/dbraw/zinc/76/99/69/568769969.db2.gz KOQRQYOGGJTCSJ-NRFANRHFSA-N 1 0 422.491 4.193 50 0 HIAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764169 568815256 /nfs/dbraw/zinc/81/52/56/568815256.db2.gz NAZQDAULPPVEST-QFIPXVFZSA-N 1 0 406.574 4.363 50 0 HIAARO Cc1noc(C)c1CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057291569 568825937 /nfs/dbraw/zinc/82/59/37/568825937.db2.gz DHGNTNIVQUYNEV-UHFFFAOYSA-N 1 0 418.541 4.185 50 0 HIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000005885610 568828297 /nfs/dbraw/zinc/82/82/97/568828297.db2.gz SBGIKBLYMCDFFM-JOCHJYFZSA-N 1 0 400.563 4.163 50 0 HIAARO Cc1cccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012467243 568838027 /nfs/dbraw/zinc/83/80/27/568838027.db2.gz FFJCVHKDDRETDX-DEOSSOPVSA-N 1 0 421.585 4.232 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000230205939 568854991 /nfs/dbraw/zinc/85/49/91/568854991.db2.gz VBBZYELUODTLKI-ACJLOTCBSA-N 1 0 407.345 4.378 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000230205935 568855001 /nfs/dbraw/zinc/85/50/01/568855001.db2.gz VBBZYELUODTLKI-UGSOOPFHSA-N 1 0 407.345 4.378 50 0 HIAARO COc1ccc([C@H](CNC(=O)Cc2c(F)cccc2Cl)[NH+]2CCCCC2)cc1 ZINC000003345932 568856032 /nfs/dbraw/zinc/85/60/32/568856032.db2.gz WBDJKAQKMQQPLB-NRFANRHFSA-N 1 0 404.913 4.374 50 0 HIAARO Cc1cccc(C)c1[N+]1=C2SCCCN2C[C@]1(O)c1ccc(OC(F)F)cc1 ZINC000003228769 568864625 /nfs/dbraw/zinc/86/46/25/568864625.db2.gz VNSKYZYMWPESQO-NRFANRHFSA-N 1 0 405.490 4.076 50 0 HIAARO COc1ccc(Br)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000003452989 568906169 /nfs/dbraw/zinc/90/61/69/568906169.db2.gz FNZFIUXBBBAYGO-UHFFFAOYSA-N 1 0 409.368 4.376 50 0 HIAARO CCOc1cc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(OCC)c1OCC ZINC000004029361 568934309 /nfs/dbraw/zinc/93/43/09/568934309.db2.gz XHARXYQBNGIUEY-PKOBYXMFSA-N 1 0 405.535 4.304 50 0 biogenic HIAARO Cn1nc(-c2ccccc2)c(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c1Cl ZINC000084303403 568945591 /nfs/dbraw/zinc/94/55/91/568945591.db2.gz ACYHMJMCOUDKCE-UHFFFAOYSA-N 1 0 410.949 4.309 50 0 HIAARO CCOC(=O)c1ccc(NC(=S)N(CCC[NH+](CC)CC)Cc2ccco2)cc1 ZINC000004193129 568950555 /nfs/dbraw/zinc/95/05/55/568950555.db2.gz XQAXSYNSDJUEKA-UHFFFAOYSA-N 1 0 417.575 4.387 50 0 HIAARO COc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000084686429 568955655 /nfs/dbraw/zinc/95/56/55/568955655.db2.gz CBVIZNFBKFTCPR-WMZOPIPTSA-N 1 0 418.484 4.327 50 0 HIAARO CCOCc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802754 568960430 /nfs/dbraw/zinc/96/04/30/568960430.db2.gz GDMLVVKVVASSBM-FPOVZHCZSA-N 1 0 410.558 4.262 50 0 HIAARO CCOC(=O)c1ccccc1NC(=O)N(Cc1cccs1)C1CC[NH+](CC)CC1 ZINC000015679750 568966817 /nfs/dbraw/zinc/96/68/17/568966817.db2.gz PIYCIDVZNIHISQ-UHFFFAOYSA-N 1 0 415.559 4.443 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008040267 568970466 /nfs/dbraw/zinc/97/04/66/568970466.db2.gz RAMGPSDTIXIPOD-UHFFFAOYSA-N 1 0 417.557 4.415 50 0 HIAARO O=C(Nc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1)c1cccs1 ZINC000008040178 568970505 /nfs/dbraw/zinc/97/05/05/568970505.db2.gz GFKWEQGPGWYPAU-SFHVURJKSA-N 1 0 409.511 4.160 50 0 HIAARO Cc1nc(COc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)cs1 ZINC000008075784 568972533 /nfs/dbraw/zinc/97/25/33/568972533.db2.gz ZIVUHCPZEFAXLT-FQEVSTJZSA-N 1 0 411.527 4.190 50 0 HIAARO O=C(Nc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1)c1cccs1 ZINC000008343172 568993827 /nfs/dbraw/zinc/99/38/27/568993827.db2.gz YRDMNVOYQKBFLA-GOSISDBHSA-N 1 0 409.511 4.160 50 0 HIAARO Cc1cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000038545853 568999772 /nfs/dbraw/zinc/99/97/72/568999772.db2.gz CKWIAMIFAODNAO-QHCPKHFHSA-N 1 0 407.489 4.020 50 0 HIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430169 569002883 /nfs/dbraw/zinc/00/28/83/569002883.db2.gz OCPZQXWRHIWFND-UHFFFAOYSA-N 1 0 422.960 4.419 50 0 HIAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000016041400 569028204 /nfs/dbraw/zinc/02/82/04/569028204.db2.gz IZIOHWSZNUHKRR-SOLBZPMBSA-N 1 0 419.780 4.394 50 0 HIAARO Cn1ccnc1[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000016261789 569030293 /nfs/dbraw/zinc/03/02/93/569030293.db2.gz WRYQNKAKTUYQKV-MRXNPFEDSA-N 1 0 409.795 4.492 50 0 HIAARO COc1cccc2cc(C(=O)NC[C@H](c3csc4ccccc43)[NH+](C)C)c(=O)oc21 ZINC000575621721 569039017 /nfs/dbraw/zinc/03/90/17/569039017.db2.gz RUIZFDPGARLXJF-GOSISDBHSA-N 1 0 422.506 4.049 50 0 HIAARO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc32)c1 ZINC000035559979 569044875 /nfs/dbraw/zinc/04/48/75/569044875.db2.gz BOSRAWQXMZORNM-LJQANCHMSA-N 1 0 420.557 4.088 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560162 569044908 /nfs/dbraw/zinc/04/49/08/569044908.db2.gz PXCPWPGZKSHZBQ-QGZVFWFLSA-N 1 0 410.949 4.342 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559914 569044938 /nfs/dbraw/zinc/04/49/38/569044938.db2.gz JTQIMXIRPCYUGB-KRWDZBQOSA-N 1 0 410.949 4.342 50 0 HIAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000241160524 569054684 /nfs/dbraw/zinc/05/46/84/569054684.db2.gz JXXUXUFCVNBPGJ-GZOXUSKESA-N 1 0 402.542 4.101 50 0 HIAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCCC4)ccc3c2=O)c1 ZINC000001810974 569056138 /nfs/dbraw/zinc/05/61/38/569056138.db2.gz UHWQDSFQLWQRHL-SFHVURJKSA-N 1 0 409.482 4.038 50 0 HIAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991265 569074604 /nfs/dbraw/zinc/07/46/04/569074604.db2.gz KBVHYBNEXMSFOC-JTSKRJEESA-N 1 0 413.562 4.198 50 0 HIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000006616570 569074717 /nfs/dbraw/zinc/07/47/17/569074717.db2.gz ICFSBXVJHBOWSJ-QGZVFWFLSA-N 1 0 405.907 4.326 50 0 HIAARO C[NH+](C)CCCNc1oc(/C=C/c2cccs2)nc1S(=O)(=O)c1ccccc1 ZINC000006670189 569086719 /nfs/dbraw/zinc/08/67/19/569086719.db2.gz MUAGCLGDARUVFN-VAWYXSNFSA-N 1 0 417.556 4.103 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)cc1OC ZINC000036096025 569090102 /nfs/dbraw/zinc/09/01/02/569090102.db2.gz FAOHQSYCIKGAQN-HXUWFJFHSA-N 1 0 405.510 4.021 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)s1 ZINC000036101329 569091493 /nfs/dbraw/zinc/09/14/93/569091493.db2.gz XAYCDHSYMPVSDI-LJQANCHMSA-N 1 0 411.523 4.227 50 0 HIAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036102923 569092126 /nfs/dbraw/zinc/09/21/26/569092126.db2.gz JHYDPNREJBLWRS-XMMPIXPASA-N 1 0 409.501 4.414 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2C)c1OC ZINC000036103649 569092245 /nfs/dbraw/zinc/09/22/45/569092245.db2.gz USQDPSPZMNQZLX-QHCPKHFHSA-N 1 0 421.537 4.454 50 0 HIAARO Cc1sc2nc(C[N@H+](CCC(C)C)C[C@@H](O)Cc3ccccc3)[nH]c(=O)c2c1C ZINC000036204769 569109655 /nfs/dbraw/zinc/10/96/55/569109655.db2.gz TXYSVEROIFWJCH-IBGZPJMESA-N 1 0 413.587 4.053 50 0 HIAARO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301596 569128022 /nfs/dbraw/zinc/12/80/22/569128022.db2.gz XAUYJQZGQUGYLQ-FQEVSTJZSA-N 1 0 409.530 4.097 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806252 569131009 /nfs/dbraw/zinc/13/10/09/569131009.db2.gz AUNXTAQLWGQECH-QGZVFWFLSA-N 1 0 400.592 4.281 50 0 HIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807050 569131247 /nfs/dbraw/zinc/13/12/47/569131247.db2.gz OXEZCNMMIWQANY-WOJBJXKFSA-N 1 0 405.546 4.046 50 0 HIAARO Cc1cc2sc(N3CCC[C@H](C(=O)NCC[N@H+]4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821477 569140534 /nfs/dbraw/zinc/14/05/34/569140534.db2.gz WSCQJELSEOAECD-OALUTQOASA-N 1 0 414.619 4.120 50 0 HIAARO C[NH+](C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834576 569148695 /nfs/dbraw/zinc/14/86/95/569148695.db2.gz ZXUBQRIYTBTJLJ-SFHVURJKSA-N 1 0 403.448 4.387 50 0 HIAARO CCCC[NH+]1CCN(C(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCCCC2)CC1 ZINC000065027502 569156625 /nfs/dbraw/zinc/15/66/25/569156625.db2.gz NWPCLIWYDJCGMA-UHFFFAOYSA-N 1 0 413.606 4.427 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063021 569166846 /nfs/dbraw/zinc/16/68/46/569166846.db2.gz DMVROHRXHQJKOY-UHFFFAOYSA-N 1 0 410.543 4.461 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3sc4nc(C)nc(C)c4c3C)cc2C)CC1 ZINC000036391623 569167169 /nfs/dbraw/zinc/16/71/69/569167169.db2.gz MATRXLMFNBOSIL-UHFFFAOYSA-N 1 0 423.586 4.319 50 0 HIAARO Cc1ccc(N2CCN(C(=O)c3cccc4[nH]cc(C[NH+]5CCCC5)c43)CC2)cc1 ZINC000065135820 569184122 /nfs/dbraw/zinc/18/41/22/569184122.db2.gz FFAYSPOOJSMFSG-UHFFFAOYSA-N 1 0 402.542 4.035 50 0 HIAARO CSc1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000006938189 569185304 /nfs/dbraw/zinc/18/53/04/569185304.db2.gz DKSCPICDRKYLTM-UHFFFAOYSA-N 1 0 418.566 4.260 50 0 HIAARO O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)nc1 ZINC000065257022 569208565 /nfs/dbraw/zinc/20/85/65/569208565.db2.gz AJKPKASUTTWREU-OAQYLSRUSA-N 1 0 424.907 4.495 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCCCC1 ZINC000524731318 569212285 /nfs/dbraw/zinc/21/22/85/569212285.db2.gz SKFUSBWEYFZEQN-XZOQPEGZSA-N 1 0 415.622 4.277 50 0 HIAARO O=C(c1ccn2c(c1)nnc2-c1cccc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065296698 569218978 /nfs/dbraw/zinc/21/89/78/569218978.db2.gz WRUSPATYNLHPFK-UHFFFAOYSA-N 1 0 423.948 4.140 50 0 HIAARO COc1ccc([C@@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1OC ZINC000065298560 569219412 /nfs/dbraw/zinc/21/94/12/569219412.db2.gz PVUHSVJCOWYSNG-FQEVSTJZSA-N 1 0 423.557 4.134 50 0 HIAARO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065539827 569234579 /nfs/dbraw/zinc/23/45/79/569234579.db2.gz HLWZKWLFNHBOEA-HTAPYJJXSA-N 1 0 403.526 4.376 50 0 HIAARO CC(=O)N(c1nc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000089930393 569268972 /nfs/dbraw/zinc/26/89/72/569268972.db2.gz XXWDKQGCKHEQTP-GOTSBHOMSA-N 1 0 424.614 4.287 50 0 HIAARO COc1ccc(SCC(=O)N(CC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000007597483 569287801 /nfs/dbraw/zinc/28/78/01/569287801.db2.gz KUXSGUCBNWISGR-UHFFFAOYSA-N 1 0 415.584 4.300 50 0 HIAARO Cc1ccc(CN2CCC([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)o1 ZINC000252508161 569291414 /nfs/dbraw/zinc/29/14/14/569291414.db2.gz XETMIDHBGUIGHO-UHFFFAOYSA-N 1 0 407.480 4.393 50 0 HIAARO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000170654897 569295471 /nfs/dbraw/zinc/29/54/71/569295471.db2.gz QEGOEQSOVOAAGH-APWZRJJASA-N 1 0 406.448 4.254 50 0 HIAARO CCc1cc2c(C[N@@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)cc(=O)oc2cc1O ZINC000007718524 569302054 /nfs/dbraw/zinc/30/20/54/569302054.db2.gz AEJCWPWWSMPYBN-HXUWFJFHSA-N 1 0 409.482 4.415 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1cccc(Cl)c1 ZINC000002693633 569322285 /nfs/dbraw/zinc/32/22/85/569322285.db2.gz LQZKNWMBADXYCZ-UHFFFAOYSA-N 1 0 411.958 4.425 50 0 HIAARO Nc1n(Cc2ccccc2)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000036386410 569358108 /nfs/dbraw/zinc/35/81/08/569358108.db2.gz VQZPIRMHRTYCBB-UHFFFAOYSA-O 1 0 421.318 4.205 50 0 HIAARO CC(C)Cc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1COC(C)(C)C2 ZINC000002292286 569369416 /nfs/dbraw/zinc/36/94/16/569369416.db2.gz ZVKIHHOMMMVRTJ-UHFFFAOYSA-N 1 0 413.591 4.263 50 0 HIAARO C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002318616 569374330 /nfs/dbraw/zinc/37/43/30/569374330.db2.gz BVAMEPRVGYJSFP-LJQANCHMSA-N 1 0 401.554 4.396 50 0 HIAARO Cc1cc(-n2c(C)cc(/C=C/C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)no1 ZINC000012979807 569405792 /nfs/dbraw/zinc/40/57/92/569405792.db2.gz GGPMTDNDEULYGN-MDZDMXLPSA-N 1 0 418.541 4.185 50 0 HIAARO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1OC(F)F ZINC000078947722 569421843 /nfs/dbraw/zinc/42/18/43/569421843.db2.gz JQEQFZSZCNCTFK-CYBMUJFWSA-N 1 0 400.263 4.434 50 0 HIAARO O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079192647 569429264 /nfs/dbraw/zinc/42/92/64/569429264.db2.gz PQNRJMJROSCHRA-HNAYVOBHSA-N 1 0 403.979 4.387 50 0 HIAARO CCCOc1ccc(CN(CCC[NH+](C)C)C(=O)Cc2ccc(F)cc2)cc1OC ZINC000060632256 571049988 /nfs/dbraw/zinc/04/99/88/571049988.db2.gz JZXVLHGOGWTBTR-UHFFFAOYSA-N 1 0 416.537 4.146 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(CC[NH+](C)C)C3=O ZINC000008549477 571078014 /nfs/dbraw/zinc/07/80/14/571078014.db2.gz DSJWBGGUSVZWPY-FQEVSTJZSA-N 1 0 410.901 4.170 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000008867678 571129378 /nfs/dbraw/zinc/12/93/78/571129378.db2.gz CRAOTSUSWDADJO-JOCHJYFZSA-N 1 0 416.949 4.379 50 0 HIAARO Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCCC[NH+](C)C)cc1 ZINC000039844298 571134682 /nfs/dbraw/zinc/13/46/82/571134682.db2.gz DHWTWKDMQXQVFT-UHFFFAOYSA-N 1 0 413.543 4.155 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000008916959 571152724 /nfs/dbraw/zinc/15/27/24/571152724.db2.gz NCBJOFXHHPIOQK-IBGZPJMESA-N 1 0 403.320 4.025 50 0 HIAARO Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040107932 571167881 /nfs/dbraw/zinc/16/78/81/571167881.db2.gz FDZQVOLQDRUPAM-IBGZPJMESA-N 1 0 410.606 4.247 50 0 HIAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)NCc2ccc(C)cc2)C1 ZINC000009151128 571230293 /nfs/dbraw/zinc/23/02/93/571230293.db2.gz HDUKWIFDQXTRFJ-UHFFFAOYSA-N 1 0 408.571 4.225 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1F)N(CC[NH+](C)C)C3=O ZINC000009328222 571248313 /nfs/dbraw/zinc/24/83/13/571248313.db2.gz GYWPMOOONCWMIM-LJQANCHMSA-N 1 0 414.864 4.001 50 0 HIAARO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1NC(=O)c1ccco1 ZINC000009577343 571269922 /nfs/dbraw/zinc/26/99/22/571269922.db2.gz QQTQNLALPPEXFS-IBGZPJMESA-N 1 0 407.470 4.000 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213882 571296699 /nfs/dbraw/zinc/29/66/99/571296699.db2.gz FFAAIEWCXYAZIE-SFHVURJKSA-N 1 0 411.889 4.034 50 0 HIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1I ZINC000010284024 571299300 /nfs/dbraw/zinc/29/93/00/571299300.db2.gz SESGBCSLNQLNTH-UHFFFAOYSA-N 1 0 422.310 4.063 50 0 HIAARO Cc1nc2scc(-c3cccs3)c2c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000014247677 721918678 /nfs/dbraw/zinc/91/86/78/721918678.db2.gz YIIHHAHAMYICJV-OAHLLOKOSA-N 1 0 400.573 4.029 50 0 HIAARO COCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)o1 ZINC000011813218 845836093 /nfs/dbraw/zinc/83/60/93/845836093.db2.gz QHGYSWKLCWCVRE-SFHVURJKSA-N 1 0 418.921 4.329 50 0 HIAARO O=C(c1ccc(OC2CC[NH+](C3Cc4ccccc4C3)CC2)cc1)N1CCCCC1 ZINC000011815990 845836305 /nfs/dbraw/zinc/83/63/05/845836305.db2.gz UWHWFLVLLRANNU-UHFFFAOYSA-N 1 0 404.554 4.323 50 0 HIAARO COC(=O)c1sc2nc(C[N@H+](C)C(C)C)ccc2c1NC(=O)C1CCCCC1 ZINC000011911377 845840369 /nfs/dbraw/zinc/84/03/69/845840369.db2.gz SUVMKAONNJDDNJ-UHFFFAOYSA-N 1 0 403.548 4.442 50 0 HIAARO COc1cccc2c1OCCC[N@@H+]([C@H]1CCC(=O)N(Cc3ccc(C)cc3)CC1)C2 ZINC000011973180 845844799 /nfs/dbraw/zinc/84/47/99/845844799.db2.gz IVVLGUPLGPZCKS-QFIPXVFZSA-N 1 0 408.542 4.169 50 0 HIAARO CN(C)c1nc2cc3c(cc2cc1CN(CC[NH+](C)C)C(=O)C1CCCCC1)CCC3 ZINC000012131906 845856315 /nfs/dbraw/zinc/85/63/15/845856315.db2.gz MJFSPCCZJQQUPS-UHFFFAOYSA-N 1 0 422.617 4.260 50 0 HIAARO Fc1ccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1F ZINC000012184261 845857994 /nfs/dbraw/zinc/85/79/94/845857994.db2.gz XUXKWXMWRCHLLR-SFHVURJKSA-N 1 0 418.557 4.322 50 0 HIAARO CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000012191976 845858651 /nfs/dbraw/zinc/85/86/51/845858651.db2.gz TVDMINIAUNURBV-HSZRJFAPSA-N 1 0 422.569 4.055 50 0 HIAARO Cc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)oc1C ZINC000012431826 845870245 /nfs/dbraw/zinc/87/02/45/845870245.db2.gz VUBQILGVBXLZGK-DEOSSOPVSA-N 1 0 423.601 4.233 50 0 HIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)c1 ZINC000012431035 845870580 /nfs/dbraw/zinc/87/05/80/845870580.db2.gz IMCXVUCDBLNIIV-XMMPIXPASA-N 1 0 413.945 4.442 50 0 HIAARO COc1ccccc1C(=O)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000012571167 845876193 /nfs/dbraw/zinc/87/61/93/845876193.db2.gz XIUADIJTAKWOFX-UHFFFAOYSA-N 1 0 408.542 4.365 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCc2cnccn2)c(C)s1 ZINC000013593379 845917116 /nfs/dbraw/zinc/91/71/16/845917116.db2.gz JZACOXWLVXJUOM-UHFFFAOYSA-N 1 0 407.518 4.479 50 0 HIAARO C/C=C(\C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccc3ccccc31)C(=O)N2CC ZINC000014748768 845976239 /nfs/dbraw/zinc/97/62/39/845976239.db2.gz JGBHEUVEZIBQEU-RMOCHZDMSA-N 1 0 405.542 4.425 50 0 HIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc4cnccc43)[N@@H+]3CCC[C@@]23C1=O ZINC000014947962 845994292 /nfs/dbraw/zinc/99/42/92/845994292.db2.gz QUOHYKQEIUMELC-CHZKFRDHSA-N 1 0 413.521 4.181 50 0 HIAARO COc1ccc(OC)c(C[NH2+][C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)CC2)c1 ZINC000014986973 845996489 /nfs/dbraw/zinc/99/64/89/845996489.db2.gz KHMJTHHPUOUAIC-HXUWFJFHSA-N 1 0 420.557 4.413 50 0 HIAARO COc1cc(C[N@H+]2CCc3nnc(C(C)C)n3CC2)ccc1OCc1ccccc1 ZINC000014990562 845996869 /nfs/dbraw/zinc/99/68/69/845996869.db2.gz VQEYRVOEQFMFEC-UHFFFAOYSA-N 1 0 406.530 4.047 50 0 HIAARO COC1CC[NH+](C2CCN(c3ccc(NC(=O)CCc4ccccc4)cc3)CC2)CC1 ZINC000014996390 845997528 /nfs/dbraw/zinc/99/75/28/845997528.db2.gz MXODUQUGBGOYIG-UHFFFAOYSA-N 1 0 421.585 4.338 50 0 HIAARO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@@H]([NH+]1CCCCC1)CC3 ZINC000015003708 845998735 /nfs/dbraw/zinc/99/87/35/845998735.db2.gz BGKTYRCZIWOIPT-IBGZPJMESA-N 1 0 407.583 4.434 50 0 HIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015002390 845998857 /nfs/dbraw/zinc/99/88/57/845998857.db2.gz HEPSIQHITYTNSS-LJQANCHMSA-N 1 0 414.933 4.124 50 0 HIAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)s1 ZINC000015065897 846005604 /nfs/dbraw/zinc/00/56/04/846005604.db2.gz YVABNPIFEGWHDE-QGZVFWFLSA-N 1 0 408.527 4.490 50 0 HIAARO Cc1ccc(-c2ccc(C[N@@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)cc2)o1 ZINC000019885699 846374455 /nfs/dbraw/zinc/37/44/55/846374455.db2.gz ZLLMFBQOSXDPFX-DEOSSOPVSA-N 1 0 405.542 4.027 50 0 HIAARO O=C1CC[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCN1Cc1cccc(F)c1 ZINC000020149230 846381546 /nfs/dbraw/zinc/38/15/46/846381546.db2.gz DDAWOSSOCPBDOG-NRFANRHFSA-N 1 0 420.532 4.463 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)c2ccccc21 ZINC000064669819 851950552 /nfs/dbraw/zinc/95/05/52/851950552.db2.gz JOPUJAGYWUWDHM-UHFFFAOYSA-N 1 0 405.542 4.198 50 0 HIAARO COc1cc(/C=C\C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000096646104 852553921 /nfs/dbraw/zinc/55/39/21/852553921.db2.gz OPOGDFKHPXHCIB-BENRWUELSA-N 1 0 408.542 4.276 50 0 HIAARO COc1ccc([C@H](CNC(=O)/C=C\c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000096904523 852557327 /nfs/dbraw/zinc/55/73/27/852557327.db2.gz RJHOJJMRZQFZEO-GWAASNHPSA-N 1 0 404.510 4.289 50 0 HIAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3-c3ccco3)C[C@H]2CCO)c(F)c1 ZINC000104489515 852670845 /nfs/dbraw/zinc/67/08/45/852670845.db2.gz XUOYXLVCKRUOSL-OAQYLSRUSA-N 1 0 424.516 4.163 50 0 HIAARO O=C(c1ccccn1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776715 853663665 /nfs/dbraw/zinc/66/36/65/853663665.db2.gz WQGNWPIRIQBZMQ-JOCHJYFZSA-N 1 0 423.532 4.039 50 0 HIAARO O=C(c1ccccc1)N1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257189830 854233520 /nfs/dbraw/zinc/23/35/20/854233520.db2.gz KBQPFJJMVUJIIH-XMMPIXPASA-N 1 0 414.553 4.383 50 0 HIAARO Cn1cccc1C[N@@H+]1CC[C@@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000575314389 948641979 /nfs/dbraw/zinc/64/19/79/948641979.db2.gz JFEHPYYOBRNYRI-HXUWFJFHSA-N 1 0 400.482 4.395 50 0 HIAARO COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000001311590 132243930 /nfs/dbraw/zinc/24/39/30/132243930.db2.gz IAAHLEKPXRRUHV-FPYGCLRLSA-N 1 0 420.340 4.406 50 0 HIAARO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)ccc1Br ZINC000004706799 132284418 /nfs/dbraw/zinc/28/44/18/132284418.db2.gz PURDKHHAAHWKAL-UHFFFAOYSA-N 1 0 420.326 4.047 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000004908547 132293215 /nfs/dbraw/zinc/29/32/15/132293215.db2.gz PONLLOHPKYCQOD-FQEVSTJZSA-N 1 0 413.562 4.152 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)CC1 ZINC000011947678 132352564 /nfs/dbraw/zinc/35/25/64/132352564.db2.gz WYXGRNJEWHHNMV-UHFFFAOYSA-N 1 0 423.488 4.392 50 0 HIAARO CC(C)c1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c2cnn(C(C)C)c2n1 ZINC000012553927 132363261 /nfs/dbraw/zinc/36/32/61/132363261.db2.gz QJULTCAKSMTHAQ-UHFFFAOYSA-N 1 0 420.561 4.140 50 0 HIAARO CCOC(=O)CCCCCCC(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000043211727 520626278 /nfs/dbraw/zinc/62/62/78/520626278.db2.gz BMWAAMZFXKTAPL-UHFFFAOYSA-N 1 0 417.546 4.112 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1 ZINC000025359022 520728011 /nfs/dbraw/zinc/72/80/11/520728011.db2.gz QCRMOFCXXJIBCG-SFHVURJKSA-N 1 0 405.498 4.349 50 0 HIAARO CCOC(=O)N1CCC([NH2+][C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000040161201 520932563 /nfs/dbraw/zinc/93/25/63/520932563.db2.gz YETWNSPERBGSEE-QFIPXVFZSA-N 1 0 409.530 4.194 50 0 HIAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2cccc(Br)c2)s1 ZINC000020576657 520936023 /nfs/dbraw/zinc/93/60/23/520936023.db2.gz GEFALXTWNOWXNF-UHFFFAOYSA-N 1 0 420.380 4.227 50 0 HIAARO CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000032802484 521346338 /nfs/dbraw/zinc/34/63/38/521346338.db2.gz NVFRJHRAPIOKOF-JOCHJYFZSA-N 1 0 401.526 4.449 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742416 522447093 /nfs/dbraw/zinc/44/70/93/522447093.db2.gz QSOCGWLWGFTYBW-UHFFFAOYSA-N 1 0 416.949 4.338 50 0 HIAARO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCc1ccccc1C ZINC000040719987 522447736 /nfs/dbraw/zinc/44/77/36/522447736.db2.gz DRVBQUDVHNNZLT-UHFFFAOYSA-N 1 0 421.379 4.386 50 0 HIAARO COc1cc(C[NH2+]CCn2ccnc2)cc(Br)c1OCc1ccccc1 ZINC000025359705 522456668 /nfs/dbraw/zinc/45/66/68/522456668.db2.gz DZEMKLQHCKYFMU-UHFFFAOYSA-N 1 0 416.319 4.023 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000032674599 525077417 /nfs/dbraw/zinc/07/74/17/525077417.db2.gz RQPRPDLWKRMQGF-UHFFFAOYSA-N 1 0 424.545 4.191 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)[NH+](C)C)cc1 ZINC000032203910 525359129 /nfs/dbraw/zinc/35/91/29/525359129.db2.gz XUSUFJVFCHKNQL-QHCPKHFHSA-N 1 0 418.541 4.099 50 0 HIAARO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040744039 525781840 /nfs/dbraw/zinc/78/18/40/525781840.db2.gz VIWKLRBLKGELIH-NSHDSACASA-N 1 0 402.691 4.291 50 0 HIAARO Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)n2)cc1 ZINC000032760637 525867472 /nfs/dbraw/zinc/86/74/72/525867472.db2.gz IISMMLJPMLMEBT-UHFFFAOYSA-N 1 0 418.545 4.052 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000043959490 526157324 /nfs/dbraw/zinc/15/73/24/526157324.db2.gz KABCDXKFJYPXLD-DTQAZKPQSA-N 1 0 416.612 4.211 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000043991400 526157955 /nfs/dbraw/zinc/15/79/55/526157955.db2.gz ASBVLLCDSHCETB-UHFFFAOYSA-N 1 0 422.550 4.157 50 0 HIAARO Cc1csc2nc(C[NH+]3CCC(c4nc5cc(Cl)ccc5o4)CC3)cc(=O)n12 ZINC000042742539 526453947 /nfs/dbraw/zinc/45/39/47/526453947.db2.gz POUSFRXCHNMDGS-UHFFFAOYSA-N 1 0 414.918 4.239 50 0 HIAARO OC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc3cc4c(cc3nc1-c1ccc(F)cc1)OCO4)C2 ZINC000072477482 527605437 /nfs/dbraw/zinc/60/54/37/527605437.db2.gz OPBDRUDTICQUKQ-CLOONOSVSA-N 1 0 420.484 4.364 50 0 HIAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Br)CC1 ZINC000009126951 535747186 /nfs/dbraw/zinc/74/71/86/535747186.db2.gz NALLNNDWZHZUBD-UHFFFAOYSA-N 1 0 422.754 4.497 50 0 HIAARO COc1ccccc1-n1cc(-c2ccccc2)[n+]2c1SC[C@@]2(O)c1ccccc1 ZINC000000643793 557033923 /nfs/dbraw/zinc/03/39/23/557033923.db2.gz FELIYDBISUONKY-XMMPIXPASA-N 1 0 401.511 4.240 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 ZINC000000679583 557055254 /nfs/dbraw/zinc/05/52/54/557055254.db2.gz LUPXYHYRZVLEQS-UHFFFAOYSA-N 1 0 408.727 4.107 50 0 HIAARO C[C@H]1CCCN(c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)C1 ZINC000022636049 557307985 /nfs/dbraw/zinc/30/79/85/557307985.db2.gz MHNOAWVWPPNNEH-PMACEKPBSA-N 1 0 408.590 4.465 50 0 HIAARO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NC1CC1 ZINC000034671496 557362939 /nfs/dbraw/zinc/36/29/39/557362939.db2.gz FWCIXZXWMBAFOM-MHZLTWQESA-N 1 0 412.533 4.492 50 0 HIAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000002734441 557373591 /nfs/dbraw/zinc/37/35/91/557373591.db2.gz VCSLCFNVGCORAF-IBGZPJMESA-N 1 0 401.348 4.320 50 0 HIAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)Cc4ccccc4)cn3)CC2)cc1 ZINC000034681752 557383609 /nfs/dbraw/zinc/38/36/09/557383609.db2.gz TTWBIAYWAHFUKQ-UHFFFAOYSA-N 1 0 414.553 4.284 50 0 HIAARO Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002695320 557741519 /nfs/dbraw/zinc/74/15/19/557741519.db2.gz KLAUXBSGCHJNBS-JCMHNJIXSA-N 1 0 419.569 4.191 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc(F)c1 ZINC000022682424 557766857 /nfs/dbraw/zinc/76/68/57/557766857.db2.gz XITNMVDHFWBFNS-LJQANCHMSA-N 1 0 411.502 4.172 50 0 HIAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(F)cc2)CC1 ZINC000022794836 557822255 /nfs/dbraw/zinc/82/22/55/557822255.db2.gz JMNQUAPIFCNNMZ-VWLOTQADSA-N 1 0 417.528 4.211 50 0 HIAARO CCCCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000022804509 557824733 /nfs/dbraw/zinc/82/47/33/557824733.db2.gz SYXGRBKEFJTDDX-UHFFFAOYSA-N 1 0 419.573 4.020 50 0 HIAARO Fc1ccccc1-c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)o1 ZINC000009249997 557832633 /nfs/dbraw/zinc/83/26/33/557832633.db2.gz WLWHGLQYYOZZRC-UHFFFAOYSA-N 1 0 409.490 4.333 50 0 HIAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1c(F)cccc1Cl ZINC000010314088 557859399 /nfs/dbraw/zinc/85/93/99/557859399.db2.gz MEGOXHRBQCSKAQ-UHFFFAOYSA-N 1 0 403.885 4.443 50 0 HIAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c1 ZINC000011661150 558265042 /nfs/dbraw/zinc/26/50/42/558265042.db2.gz PRMIRESXIUKQTI-SFHVURJKSA-N 1 0 408.571 4.397 50 0 HIAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000011668114 558269767 /nfs/dbraw/zinc/26/97/67/558269767.db2.gz IWLGVNNYBBCJON-UHFFFAOYSA-N 1 0 401.510 4.055 50 0 HIAARO Cc1c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cnn1-c1ccc(F)cc1F ZINC000011668181 558270002 /nfs/dbraw/zinc/27/00/02/558270002.db2.gz FPUZFZQRFMKRNP-INIZCTEOSA-N 1 0 411.500 4.169 50 0 HIAARO O=C(C1=CCCCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011708449 558271081 /nfs/dbraw/zinc/27/10/81/558271081.db2.gz ZQKFXYOMFQZKOM-SANMLTNESA-N 1 0 422.613 4.374 50 0 HIAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3sccc3Cl)CC2)cc1 ZINC000011815393 558279303 /nfs/dbraw/zinc/27/93/03/558279303.db2.gz UEDHDXNSLCSNDM-UHFFFAOYSA-N 1 0 406.979 4.437 50 0 HIAARO Cc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4 ZINC000019771406 558279975 /nfs/dbraw/zinc/27/99/75/558279975.db2.gz KIBRYBZYNCYDBU-UHFFFAOYSA-N 1 0 407.543 4.386 50 0 HIAARO COc1ccc(Br)cc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019787965 558281989 /nfs/dbraw/zinc/28/19/89/558281989.db2.gz GYKXPGJPYKFFTF-UHFFFAOYSA-N 1 0 414.347 4.257 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1cccs1 ZINC000019796725 558284371 /nfs/dbraw/zinc/28/43/71/558284371.db2.gz PKCMNOGGLOLSIX-OAHLLOKOSA-N 1 0 420.332 4.198 50 0 HIAARO CC(C)OCCCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011839770 558286240 /nfs/dbraw/zinc/28/62/40/558286240.db2.gz LYLLKIVEJRZAFN-UHFFFAOYSA-N 1 0 424.585 4.317 50 0 HIAARO O=C(C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000019840111 558293633 /nfs/dbraw/zinc/29/36/33/558293633.db2.gz VNZGTQKVWXNTMJ-QFIPXVFZSA-N 1 0 419.569 4.338 50 0 HIAARO Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]n2)s1 ZINC000011934605 558298924 /nfs/dbraw/zinc/29/89/24/558298924.db2.gz MLDJTVXLEOOJPF-IBGZPJMESA-N 1 0 408.571 4.226 50 0 HIAARO Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]n2)s1 ZINC000011934604 558298950 /nfs/dbraw/zinc/29/89/50/558298950.db2.gz MLDJTVXLEOOJPF-LJQANCHMSA-N 1 0 408.571 4.226 50 0 HIAARO O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000011935619 558299818 /nfs/dbraw/zinc/29/98/18/558299818.db2.gz JFKPMOMFTREORO-OAHLLOKOSA-N 1 0 420.460 4.002 50 0 HIAARO Cc1ccc(C(=O)Oc2c(CN3CC[NH+](C)CC3)cc(Cl)c3cccnc32)cc1 ZINC000019878899 558300323 /nfs/dbraw/zinc/30/03/23/558300323.db2.gz VWAYSLFFDUWQNO-UHFFFAOYSA-N 1 0 409.917 4.163 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccncc2)CC1 ZINC000011938401 558301850 /nfs/dbraw/zinc/30/18/50/558301850.db2.gz SFLXJWJGJYCFSL-UHFFFAOYSA-N 1 0 414.553 4.340 50 0 HIAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1C ZINC000011999041 558307706 /nfs/dbraw/zinc/30/77/06/558307706.db2.gz HEPOMBJWPYSWJQ-UHFFFAOYSA-N 1 0 422.504 4.429 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)c1cccc(F)c1F ZINC000012054867 558315388 /nfs/dbraw/zinc/31/53/88/558315388.db2.gz ORTSCYPRVAFWPF-GOSISDBHSA-N 1 0 418.459 4.048 50 0 HIAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012111926 558326404 /nfs/dbraw/zinc/32/64/04/558326404.db2.gz DVSJXLZGWDZPPC-INIZCTEOSA-N 1 0 406.933 4.460 50 0 HIAARO CCCCc1nc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c[nH]1 ZINC000020138444 558338211 /nfs/dbraw/zinc/33/82/11/558338211.db2.gz GJBIYNRDQTUSEQ-JOCHJYFZSA-N 1 0 416.013 4.192 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000012203792 558352009 /nfs/dbraw/zinc/35/20/09/558352009.db2.gz RKSUEYKGQTUXGH-UHFFFAOYSA-N 1 0 413.905 4.264 50 0 HIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)c1 ZINC000012206878 558353082 /nfs/dbraw/zinc/35/30/82/558353082.db2.gz BPFZJKQSGWDIEV-JOCHJYFZSA-N 1 0 416.525 4.234 50 0 HIAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cn1 ZINC000012298691 558368620 /nfs/dbraw/zinc/36/86/20/558368620.db2.gz BSIHOCFCJDSIQO-UHFFFAOYSA-N 1 0 417.553 4.496 50 0 HIAARO Cc1ccc2[nH]nc(C(=O)N(C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000012299797 558369858 /nfs/dbraw/zinc/36/98/58/558369858.db2.gz DSZHEDUBDDVCOB-NRFANRHFSA-N 1 0 424.589 4.147 50 0 HIAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012300425 558370373 /nfs/dbraw/zinc/37/03/73/558370373.db2.gz IURMVSXIHAUGCJ-QGZVFWFLSA-N 1 0 406.452 4.271 50 0 HIAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000012314634 558378054 /nfs/dbraw/zinc/37/80/54/558378054.db2.gz IZVFWLFIBAACOM-UHFFFAOYSA-N 1 0 400.494 4.474 50 0 HIAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012386483 558395304 /nfs/dbraw/zinc/39/53/04/558395304.db2.gz BRWACGBABGOOBO-XMMPIXPASA-N 1 0 409.505 4.055 50 0 HIAARO C[NH+](C)C1(CN/C=C2\c3ccccc3C(=O)N(c3ccccc3)C2=O)CCCCC1 ZINC000020665193 558398059 /nfs/dbraw/zinc/39/80/59/558398059.db2.gz YNZVRICYSSFFHP-OQKWZONESA-N 1 0 403.526 4.069 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000020780580 558412576 /nfs/dbraw/zinc/41/25/76/558412576.db2.gz HWSRVXMADSQESV-HSZRJFAPSA-N 1 0 416.569 4.030 50 0 HIAARO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1CCCc1ccccc1 ZINC000020781170 558412883 /nfs/dbraw/zinc/41/28/83/558412883.db2.gz PDGPPRFMZDCKQP-HSZRJFAPSA-N 1 0 421.610 4.312 50 0 HIAARO Cc1cccn2c(C[NH+]3CCCCCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012446140 558414008 /nfs/dbraw/zinc/41/40/08/558414008.db2.gz SKXROHNNUDZZBI-UHFFFAOYSA-N 1 0 404.558 4.333 50 0 HIAARO C[NH2+]CCCNCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873900 558418322 /nfs/dbraw/zinc/41/83/22/558418322.db2.gz FSIWHFUEZCNDQE-UHFFFAOYSA-N 1 0 407.352 4.044 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OCC ZINC000020932478 558424063 /nfs/dbraw/zinc/42/40/63/558424063.db2.gz RPISRWPEQLDSNT-GOSISDBHSA-N 1 0 408.336 4.460 50 0 HIAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccccc3SC)CC2)cc1 ZINC000012578965 558431854 /nfs/dbraw/zinc/43/18/54/558431854.db2.gz RSBMOJCTQUBZMF-UHFFFAOYSA-N 1 0 412.599 4.444 50 0 HIAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)c1 ZINC000012592122 558436091 /nfs/dbraw/zinc/43/60/91/558436091.db2.gz BQLNBHVKRBHMAX-QGZVFWFLSA-N 1 0 408.498 4.092 50 0 HIAARO Cc1occc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012707587 558450515 /nfs/dbraw/zinc/45/05/15/558450515.db2.gz BVVGBWQAIRPYQZ-DEOSSOPVSA-N 1 0 422.569 4.089 50 0 HIAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000012762911 558461453 /nfs/dbraw/zinc/46/14/53/558461453.db2.gz SHSZPLPDHQMYFT-UHFFFAOYSA-N 1 0 408.477 4.120 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013069460 558511031 /nfs/dbraw/zinc/51/10/31/558511031.db2.gz LFCMDTGUBDFYED-FGTMMUONSA-N 1 0 409.530 4.252 50 0 HIAARO COc1ccc(C(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000013148706 558523349 /nfs/dbraw/zinc/52/33/49/558523349.db2.gz OYVSUPJSVYTSGC-SNYIIPAISA-N 1 0 413.558 4.339 50 0 HIAARO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000013595952 558547119 /nfs/dbraw/zinc/54/71/19/558547119.db2.gz NHLOOCPVEAETNU-IBGZPJMESA-N 1 0 411.546 4.043 50 0 HIAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023763814 558575410 /nfs/dbraw/zinc/57/54/10/558575410.db2.gz RJXORNLKYVTBSM-IBGZPJMESA-N 1 0 421.969 4.022 50 0 HIAARO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730630 558586413 /nfs/dbraw/zinc/58/64/13/558586413.db2.gz ZKFJIUJWAMDTIN-UHFFFAOYSA-N 1 0 403.114 4.332 50 0 HIAARO CN(Cc1ccc(Br)cc1)Cn1nc(C[NH+]2CCCCC2)oc1=S ZINC000024373270 558596416 /nfs/dbraw/zinc/59/64/16/558596416.db2.gz JJUDFOPZOUYHIP-UHFFFAOYSA-N 1 0 411.369 4.043 50 0 HIAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000014109864 558620671 /nfs/dbraw/zinc/62/06/71/558620671.db2.gz YKYPDKPNSTZEPO-UHFFFAOYSA-N 1 0 401.890 4.085 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 ZINC000014123961 558622707 /nfs/dbraw/zinc/62/27/07/558622707.db2.gz BYDXFJNVLOKYTQ-HNNXBMFYSA-N 1 0 405.889 4.363 50 0 HIAARO Cc1nc(COc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cs1 ZINC000014140240 558624804 /nfs/dbraw/zinc/62/48/04/558624804.db2.gz ALBSXEXDZNXWRR-FQEVSTJZSA-N 1 0 407.539 4.035 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccsc1 ZINC000025330119 558638441 /nfs/dbraw/zinc/63/84/41/558638441.db2.gz LATUUHPKVQUOBN-QFIPXVFZSA-N 1 0 402.523 4.391 50 0 HIAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000014536550 558658464 /nfs/dbraw/zinc/65/84/64/558658464.db2.gz JYQFCVSZLKYZNW-UHFFFAOYSA-N 1 0 419.569 4.184 50 0 HIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)o1 ZINC000014746174 558669217 /nfs/dbraw/zinc/66/92/17/558669217.db2.gz JWZYMBUVNUBMQI-SFHVURJKSA-N 1 0 409.530 4.010 50 0 HIAARO CCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc12 ZINC000027587947 558676833 /nfs/dbraw/zinc/67/68/33/558676833.db2.gz HMPOZYJXCIPUMR-UHFFFAOYSA-N 1 0 404.576 4.216 50 0 HIAARO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc(OC)c1OC ZINC000027662533 558678415 /nfs/dbraw/zinc/67/84/15/558678415.db2.gz DQXBDAVGCFFOMF-QGZVFWFLSA-N 1 0 418.559 4.121 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)[NH+]2CCCCC2)cc1 ZINC000027669213 558679935 /nfs/dbraw/zinc/67/99/35/558679935.db2.gz PANCKOACYWDWKI-NRFANRHFSA-N 1 0 422.529 4.312 50 0 HIAARO CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000014950532 558681102 /nfs/dbraw/zinc/68/11/02/558681102.db2.gz CHUDZVLPLSNZTA-UHFFFAOYSA-N 1 0 409.574 4.148 50 0 HIAARO CCc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000027747489 558681514 /nfs/dbraw/zinc/68/15/14/558681514.db2.gz NMFJSRKONTYLHB-DVECYGJZSA-N 1 0 410.558 4.368 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027747694 558681718 /nfs/dbraw/zinc/68/17/18/558681718.db2.gz IRSXQZOBIZAEPD-NRFANRHFSA-N 1 0 416.949 4.298 50 0 HIAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CSCCSC2)C1 ZINC000014959264 558683412 /nfs/dbraw/zinc/68/34/12/558683412.db2.gz ROLSIBISDSOXEZ-HXUWFJFHSA-N 1 0 415.571 4.001 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(C)s3)CC2)c1 ZINC000014970073 558687139 /nfs/dbraw/zinc/68/71/39/558687139.db2.gz FROFKYIMRFKVNR-UHFFFAOYSA-N 1 0 414.571 4.345 50 0 HIAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)CC1CCOCC1 ZINC000014976535 558689453 /nfs/dbraw/zinc/68/94/53/558689453.db2.gz VKJTUWPBUBHBLM-UHFFFAOYSA-N 1 0 419.525 4.186 50 0 HIAARO O=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000014979699 558690574 /nfs/dbraw/zinc/69/05/74/558690574.db2.gz VGSAUBGXTAAGPN-LJQANCHMSA-N 1 0 406.954 4.035 50 0 HIAARO Cc1ccc(F)cc1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014998118 558696794 /nfs/dbraw/zinc/69/67/94/558696794.db2.gz UIEGXHSOCTVUIA-SFHVURJKSA-N 1 0 418.896 4.187 50 0 HIAARO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292601 558698067 /nfs/dbraw/zinc/69/80/67/558698067.db2.gz HQTZPCYRJQGMOE-OAQYLSRUSA-N 1 0 404.510 4.367 50 0 HIAARO CN(C)c1ncc(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)s1 ZINC000015061904 558705171 /nfs/dbraw/zinc/70/51/71/558705171.db2.gz JQYLWLUNGVTBPY-UHFFFAOYSA-N 1 0 421.010 4.171 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015064660 558707526 /nfs/dbraw/zinc/70/75/26/558707526.db2.gz NWGUWXVIWIMIOX-JOCHJYFZSA-N 1 0 411.615 4.085 50 0 HIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015066450 558709349 /nfs/dbraw/zinc/70/93/49/558709349.db2.gz FCMWGWFVFZACIG-JOCHJYFZSA-N 1 0 415.541 4.205 50 0 HIAARO OC[C@@]1(CCCc2ccccc2)CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000015066417 558709410 /nfs/dbraw/zinc/70/94/10/558709410.db2.gz YPDPKVCIQWGTHB-SANMLTNESA-N 1 0 407.602 4.143 50 0 HIAARO CCc1c(C(=O)N[C@H]2CCCc3ccccc32)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000015069605 558711839 /nfs/dbraw/zinc/71/18/39/558711839.db2.gz HZZHRSSGQIXXFY-QFIPXVFZSA-N 1 0 421.585 4.012 50 0 HIAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000029232456 558712100 /nfs/dbraw/zinc/71/21/00/558712100.db2.gz FSUVXBVCFKVRMN-UHFFFAOYSA-N 1 0 406.452 4.039 50 0 HIAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000004552827 558720448 /nfs/dbraw/zinc/72/04/48/558720448.db2.gz RRIBYMLLCYBDDJ-UHFFFAOYSA-N 1 0 410.558 4.403 50 0 HIAARO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1OCc1cccnc1 ZINC000030545452 558732337 /nfs/dbraw/zinc/73/23/37/558732337.db2.gz DXFCEKZFZBYONI-GOSISDBHSA-N 1 0 415.497 4.101 50 0 HIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000016339215 558786781 /nfs/dbraw/zinc/78/67/81/558786781.db2.gz MCXVTHOYPHZJPW-HXUWFJFHSA-N 1 0 417.347 4.253 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033010657 558830019 /nfs/dbraw/zinc/83/00/19/558830019.db2.gz OUQKGPGOKGXNNA-UHFFFAOYSA-N 1 0 415.541 4.493 50 0 HIAARO CC(C)c1csc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)n1 ZINC000019223682 558852402 /nfs/dbraw/zinc/85/24/02/558852402.db2.gz ROQLYAGWGZESHR-HXUWFJFHSA-N 1 0 402.583 4.192 50 0 HIAARO Cc1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000033034115 558858296 /nfs/dbraw/zinc/85/82/96/558858296.db2.gz KDXXTZILYOQLAX-UHFFFAOYSA-N 1 0 418.566 4.474 50 0 HIAARO CCOc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)cc1OC ZINC000010653053 558875647 /nfs/dbraw/zinc/87/56/47/558875647.db2.gz BJNZJUQXMCFPSQ-UHFFFAOYSA-N 1 0 410.518 4.038 50 0 HIAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc12 ZINC000055389379 558880800 /nfs/dbraw/zinc/88/08/00/558880800.db2.gz JMCLCFXVQPXPKU-UHFFFAOYSA-N 1 0 408.571 4.486 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(CC)cc4)c(C)c32)CC1 ZINC000033048395 558885587 /nfs/dbraw/zinc/88/55/87/558885587.db2.gz NNBIBIBPYITIJY-UHFFFAOYSA-N 1 0 423.586 4.346 50 0 HIAARO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000058022997 558896071 /nfs/dbraw/zinc/89/60/71/558896071.db2.gz XDLMLAUUIHNNGW-WYMLVPIESA-N 1 0 408.542 4.409 50 0 HIAARO O=C(c1cn2ccccc2n1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000058081157 558898078 /nfs/dbraw/zinc/89/80/78/558898078.db2.gz NNEUHUHCZNJKQE-UHFFFAOYSA-N 1 0 417.340 4.379 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000004687516 558898142 /nfs/dbraw/zinc/89/81/42/558898142.db2.gz QDBQYHHHPMSIHH-JVDNRXPZSA-N 1 0 421.566 4.376 50 0 HIAARO Cc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000058130800 558900376 /nfs/dbraw/zinc/90/03/76/558900376.db2.gz SYVMXEJQABWLPM-HXUWFJFHSA-N 1 0 422.960 4.476 50 0 HIAARO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC(C)C ZINC000058368718 558922358 /nfs/dbraw/zinc/92/23/58/558922358.db2.gz JKWCLBCRVFXKPO-SFHVURJKSA-N 1 0 402.922 4.140 50 0 HIAARO CC1CC[NH+](CCNC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)CC1 ZINC000033257033 558923962 /nfs/dbraw/zinc/92/39/62/558923962.db2.gz HWUINBLGWFGJGZ-UHFFFAOYSA-N 1 0 415.541 4.349 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)Cn1c(CSC)nc2ccccc21)c1ccsc1 ZINC000058954635 558930989 /nfs/dbraw/zinc/93/09/89/558930989.db2.gz MXZNEYFAHIQWCD-LJQANCHMSA-N 1 0 416.616 4.160 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](C2CSCCSC2)CC1 ZINC000059434679 558936362 /nfs/dbraw/zinc/93/63/62/558936362.db2.gz LNWDLINPEWPOII-UHFFFAOYSA-N 1 0 414.036 4.376 50 0 HIAARO COCC[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C(C)C ZINC000019607612 558946620 /nfs/dbraw/zinc/94/66/20/558946620.db2.gz FPDZKMXTHHVZOP-UHFFFAOYSA-N 1 0 420.985 4.251 50 0 HIAARO CCOC(=O)c1cn(CCC2CC[NH+](C(C)C)CC2)cc(Oc2ccccc2)c1=O ZINC000065431468 558977708 /nfs/dbraw/zinc/97/77/08/558977708.db2.gz MSDJIRSWFYRVCM-UHFFFAOYSA-N 1 0 412.530 4.328 50 0 HIAARO Cc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4C)CC3)n2)c1 ZINC000067602071 558987851 /nfs/dbraw/zinc/98/78/51/558987851.db2.gz XSTJLATVPQIQOJ-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000097088716 558991314 /nfs/dbraw/zinc/99/13/14/558991314.db2.gz LCUYWJPJHPYESU-UHFFFAOYSA-N 1 0 403.592 4.022 50 0 HIAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC(C)(C)C1 ZINC000023073068 558997865 /nfs/dbraw/zinc/99/78/65/558997865.db2.gz XXQPFLGJWKRVOP-COPCDDAFSA-N 1 0 409.014 4.050 50 0 HIAARO O=C(c1cccc(C(F)(F)F)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651591 559057234 /nfs/dbraw/zinc/05/72/34/559057234.db2.gz IFNHMUISHPGVLT-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000023211969 559059036 /nfs/dbraw/zinc/05/90/36/559059036.db2.gz ZYVQQWOCZZCERM-FQEVSTJZSA-N 1 0 402.966 4.334 50 0 HIAARO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 ZINC000023211953 559059090 /nfs/dbraw/zinc/05/90/90/559059090.db2.gz DKXNGNIJSJXXBI-NRFANRHFSA-N 1 0 402.966 4.136 50 0 HIAARO CC1(C)CC(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)CC(C)(C)[NH2+]1 ZINC000011423834 559075712 /nfs/dbraw/zinc/07/57/12/559075712.db2.gz AALVPEYJZQTQPI-UHFFFAOYSA-N 1 0 414.550 4.170 50 0 HIAARO CC(C)(CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)[NH+]1CCCCC1 ZINC000011594769 559112839 /nfs/dbraw/zinc/11/28/39/559112839.db2.gz UJFFDWKPOXZBFC-UHFFFAOYSA-N 1 0 404.514 4.398 50 0 HIAARO Cc1cc(C)c(C[NH+]2CCN(c3cc(-c4ccccc4)nc4ncnn43)CC2)c(C)c1 ZINC000023447699 559175543 /nfs/dbraw/zinc/17/55/43/559175543.db2.gz VZTPICIRKWFJFZ-UHFFFAOYSA-N 1 0 412.541 4.039 50 0 HIAARO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000408518255 559213444 /nfs/dbraw/zinc/21/34/44/559213444.db2.gz XYAKTNPSOVVAQW-XUZZJYLKSA-N 1 0 422.569 4.322 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000005025885 559230268 /nfs/dbraw/zinc/23/02/68/559230268.db2.gz YXJFLGHSXIFRDP-UHFFFAOYSA-N 1 0 404.967 4.417 50 0 aggregator HIAARO COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](C(C)C)CC2)c1 ZINC000005092063 559243875 /nfs/dbraw/zinc/24/38/75/559243875.db2.gz MYQZDOWJGANELZ-QFIPXVFZSA-N 1 0 421.541 4.448 50 0 HIAARO Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000002659942 560587334 /nfs/dbraw/zinc/58/73/34/560587334.db2.gz AZNARUPWEAANGY-BUHFOSPRSA-N 1 0 414.553 4.414 50 0 HIAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214061 560790093 /nfs/dbraw/zinc/79/00/93/560790093.db2.gz JHAJKFXBYGVRCK-UHFFFAOYSA-N 1 0 421.010 4.160 50 0 HIAARO C[N@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000104805806 560855080 /nfs/dbraw/zinc/85/50/80/560855080.db2.gz IDPPVBCRAKJMDN-RCZVLFRGSA-N 1 0 423.484 4.153 50 0 HIAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982870 560858939 /nfs/dbraw/zinc/85/89/39/560858939.db2.gz YCOIQORDEYDQNG-FGZHOGPDSA-N 1 0 416.949 4.121 50 0 HIAARO O=C(CCn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296769 568462360 /nfs/dbraw/zinc/46/23/60/568462360.db2.gz QQYGRJKCRMSBOA-PKOBYXMFSA-N 1 0 418.379 4.175 50 0 HIAARO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022074806 568473939 /nfs/dbraw/zinc/47/39/39/568473939.db2.gz ZHZITHYDQFFLFH-OAHLLOKOSA-N 1 0 415.125 4.043 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CC4=CCCCC4)C3)C2)c1OC ZINC000014980959 568581497 /nfs/dbraw/zinc/58/14/97/568581497.db2.gz KSHGIPCEWZZJPB-VWLOTQADSA-N 1 0 412.574 4.409 50 0 HIAARO O[C@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019901463 568585486 /nfs/dbraw/zinc/58/54/86/568585486.db2.gz QUJTVWWBSIAEKN-DEOSSOPVSA-N 1 0 412.549 4.435 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000020111193 568588416 /nfs/dbraw/zinc/58/84/16/568588416.db2.gz YPMLFSMYZFGFFZ-ZSNBAVAXSA-N 1 0 408.586 4.118 50 0 HIAARO Cc1ccsc1/C=C/C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020114425 568589413 /nfs/dbraw/zinc/58/94/13/568589413.db2.gz JLWIXLINWHNWDT-VOTSOKGWSA-N 1 0 406.555 4.317 50 0 HIAARO CCC1=Nc2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc2Sc2ccccc21 ZINC000020178838 568593136 /nfs/dbraw/zinc/59/31/36/568593136.db2.gz RRAMVFRSFGWWME-UHFFFAOYSA-N 1 0 422.598 4.049 50 0 HIAARO O[C@@H](CSc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385149 568603131 /nfs/dbraw/zinc/60/31/31/568603131.db2.gz VWTRFSGVCSGCSK-MRXNPFEDSA-N 1 0 415.361 4.408 50 0 HIAARO C[NH+]1CCN(CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 ZINC000020436387 568607214 /nfs/dbraw/zinc/60/72/14/568607214.db2.gz XQBQSUSUIVHSIQ-UHFFFAOYSA-N 1 0 422.019 4.042 50 0 HIAARO C[C@H](C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000095443060 568611018 /nfs/dbraw/zinc/61/10/18/568611018.db2.gz VIGDYYYRYSJCHW-IBGZPJMESA-N 1 0 422.617 4.049 50 0 HIAARO C[NH+]1CCN(CCc2cccc(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457786 568618569 /nfs/dbraw/zinc/61/85/69/568618569.db2.gz XWTDBUHFUKATNV-UIOOFZCWSA-N 1 0 413.565 4.372 50 0 HIAARO CCCC[N@H+](CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1 ZINC000020510078 568621060 /nfs/dbraw/zinc/62/10/60/568621060.db2.gz DKCQZENQEVWPGE-UHFFFAOYSA-N 1 0 409.486 4.168 50 0 HIAARO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000040151176 568625191 /nfs/dbraw/zinc/62/51/91/568625191.db2.gz WZIUZVXFOICOOI-AUSIDOKSSA-N 1 0 408.546 4.077 50 0 HIAARO Cc1cc(C)nc(Nc2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000095474743 568629522 /nfs/dbraw/zinc/62/95/22/568629522.db2.gz VARXLACQHUJTAI-UHFFFAOYSA-N 1 0 415.541 4.231 50 0 HIAARO COc1ccc(CCC[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1OC ZINC000225406961 568634715 /nfs/dbraw/zinc/63/47/15/568634715.db2.gz PZIPJLSFLWYVGB-HXUWFJFHSA-N 1 0 412.530 4.280 50 0 HIAARO CC(=O)Nc1ccn([C@@H]2CC[N@H+](CC(Cc3ccccc3)Cc3ccccc3)C2)n1 ZINC000225423483 568636728 /nfs/dbraw/zinc/63/67/28/568636728.db2.gz KARNLJCDSALMLB-XMMPIXPASA-N 1 0 402.542 4.190 50 0 HIAARO Cc1cccc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2-n2cccc2)c1 ZINC000020979834 568654591 /nfs/dbraw/zinc/65/45/91/568654591.db2.gz AMWGERXNNXDMQH-UHFFFAOYSA-N 1 0 417.557 4.062 50 0 HIAARO Cc1cc(C2CC[NH+]([C@H](C)CC(=O)Nc3cccc(Br)c3)CC2)[nH]n1 ZINC000095940888 568661719 /nfs/dbraw/zinc/66/17/19/568661719.db2.gz KNPBSWCTLGTVJA-CQSZACIVSA-N 1 0 405.340 4.077 50 0 HIAARO O=C(N[C@H](C1CCCC1)C(F)(F)F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095942329 568662404 /nfs/dbraw/zinc/66/24/04/568662404.db2.gz YSEZEBKOOKDBCX-GOSISDBHSA-N 1 0 401.448 4.210 50 0 HIAARO Cc1cccc(-c2nc(CC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cs2)c1 ZINC000095943232 568662635 /nfs/dbraw/zinc/66/26/35/568662635.db2.gz QPBUBGNWRFKWKO-PGRDOPGGSA-N 1 0 405.567 4.298 50 0 HIAARO Fc1ccc2nc(C(F)(F)F)nc(NCC3([NH+]4CCOCC4)CCCCC3)c2c1 ZINC000095948919 568665627 /nfs/dbraw/zinc/66/56/27/568665627.db2.gz AIWJJBKWLYZQQC-UHFFFAOYSA-N 1 0 412.431 4.235 50 0 HIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cccc4c3SCCC4=O)CC2)cc1 ZINC000021103193 568666626 /nfs/dbraw/zinc/66/66/26/568666626.db2.gz VRANCDRRJFQLMT-UHFFFAOYSA-N 1 0 408.567 4.316 50 0 HIAARO CCOC(=O)c1oc2cc(-c3ccccc3)cc(OC[C@@H](O)C[NH2+]C(C)C)c2c1C ZINC000096568887 568761043 /nfs/dbraw/zinc/76/10/43/568761043.db2.gz GNNIXLRGYKFEMD-IBGZPJMESA-N 1 0 411.498 4.323 50 0 HIAARO Cc1ccc(Nc2nc(NCC[NH+](CC(C)C)CC(C)C)nc3c2cnn3C)cc1 ZINC000021928929 568761566 /nfs/dbraw/zinc/76/15/66/568761566.db2.gz NKJNGIFOKKTCCB-UHFFFAOYSA-N 1 0 409.582 4.441 50 0 HIAARO CC[C@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907784 568815325 /nfs/dbraw/zinc/81/53/25/568815325.db2.gz KWJAZTNSKVNVEC-SFTDATJTSA-N 1 0 406.364 4.193 50 0 HIAARO CC[NH+](CC)CCCNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492155 568820424 /nfs/dbraw/zinc/82/04/24/568820424.db2.gz RWFGXSDAQCXYLY-UHFFFAOYSA-N 1 0 411.981 4.468 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492001 568820379 /nfs/dbraw/zinc/82/03/79/568820379.db2.gz PAGHGLYUUOVXKT-FQEVSTJZSA-N 1 0 409.965 4.221 50 0 HIAARO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 ZINC000057292126 568826116 /nfs/dbraw/zinc/82/61/16/568826116.db2.gz TXUWAKFOUXCCQC-XMMPIXPASA-N 1 0 421.566 4.211 50 0 HIAARO Cc1cccc(-c2nc(CC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cs2)c1 ZINC000230250232 568856807 /nfs/dbraw/zinc/85/68/07/568856807.db2.gz QPBUBGNWRFKWKO-GCJKJVERSA-N 1 0 405.567 4.298 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012562974 568859048 /nfs/dbraw/zinc/85/90/48/568859048.db2.gz KMJMRCJCPBIMHA-UHFFFAOYSA-N 1 0 412.534 4.446 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)cc2C)CC1 ZINC000057866360 568864395 /nfs/dbraw/zinc/86/43/95/568864395.db2.gz QLAQRLHNLIRDID-UHFFFAOYSA-N 1 0 420.479 4.477 50 0 HIAARO CCCn1c2cc(C)ccc2cc(C[NH+]2CCN(c3ccccc3OCC)CC2)c1=O ZINC000299758684 568872971 /nfs/dbraw/zinc/87/29/71/568872971.db2.gz MAFMHHGEAMCZRP-UHFFFAOYSA-N 1 0 419.569 4.441 50 0 HIAARO COc1ccccc1OCCCN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299771425 568874338 /nfs/dbraw/zinc/87/43/38/568874338.db2.gz WTNLPBQENCXPMX-BDTNDASRSA-N 1 0 408.542 4.148 50 0 HIAARO COc1cccc(-n2c(SC)nnc2C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000299776579 568874837 /nfs/dbraw/zinc/87/48/37/568874837.db2.gz DGKSGABFRJEPBW-UHFFFAOYSA-N 1 0 400.573 4.439 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCN(c3ccc(C)cc3)CC2)cc1 ZINC000058440193 568919036 /nfs/dbraw/zinc/91/90/36/568919036.db2.gz NAGBEOAVWHLZHJ-UHFFFAOYSA-N 1 0 408.590 4.259 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000004085677 568940392 /nfs/dbraw/zinc/94/03/92/568940392.db2.gz NGFMXGRTLRTGJZ-BFXCOLBMSA-N 1 0 423.597 4.370 50 0 biogenic HIAARO Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000012762154 568946320 /nfs/dbraw/zinc/94/63/20/568946320.db2.gz BRYZDWRJLMUOQF-SFHVURJKSA-N 1 0 402.589 4.017 50 0 HIAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000084419147 568948887 /nfs/dbraw/zinc/94/88/87/568948887.db2.gz JUHHRNPTLBWVSN-HNNXBMFYSA-N 1 0 419.294 4.347 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Cl)c1 ZINC000012767196 568949100 /nfs/dbraw/zinc/94/91/00/568949100.db2.gz YRRFUKCLNIBYCX-LBPRGKRZSA-N 1 0 423.826 4.229 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Cl)c1 ZINC000012767192 568949117 /nfs/dbraw/zinc/94/91/17/568949117.db2.gz YRRFUKCLNIBYCX-GFCCVEGCSA-N 1 0 423.826 4.229 50 0 HIAARO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000084575158 568951113 /nfs/dbraw/zinc/95/11/13/568951113.db2.gz OGEIETAHRBHVJW-OAHLLOKOSA-N 1 0 422.978 4.231 50 0 HIAARO CCC[NH+](CCC)Cc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)no1 ZINC000084755181 568958280 /nfs/dbraw/zinc/95/82/80/568958280.db2.gz AXICEUJRDDIBEH-UHFFFAOYSA-N 1 0 422.529 4.201 50 0 HIAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000015669114 568960750 /nfs/dbraw/zinc/96/07/50/568960750.db2.gz ZZEWWKTYAKJWJV-UHFFFAOYSA-N 1 0 420.557 4.484 50 0 HIAARO CCOc1ccccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C1CC[NH2+]CC1 ZINC000015726869 568978184 /nfs/dbraw/zinc/97/81/84/568978184.db2.gz NHVXOBLUNZDPDU-UHFFFAOYSA-N 1 0 404.514 4.299 50 0 HIAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@H+](Cc3ccccc3)C(C)C)c21 ZINC000015727464 568978321 /nfs/dbraw/zinc/97/83/21/568978321.db2.gz IFQIQIBUOBNLPW-UHFFFAOYSA-N 1 0 410.518 4.339 50 0 HIAARO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000012819644 568991379 /nfs/dbraw/zinc/99/13/79/568991379.db2.gz SIWZTPJDLPUXTI-UHFFFAOYSA-N 1 0 403.526 4.495 50 0 HIAARO COc1ccc(-c2nc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cs2)cc1 ZINC000008342094 568993597 /nfs/dbraw/zinc/99/35/97/568993597.db2.gz IKCRRCLPXFUXRS-UHFFFAOYSA-N 1 0 407.539 4.345 50 0 HIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)cc1 ZINC000015772814 568998816 /nfs/dbraw/zinc/99/88/16/568998816.db2.gz DBTUQLCLEDAOHH-UHFFFAOYSA-N 1 0 414.553 4.126 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000012877664 569013944 /nfs/dbraw/zinc/01/39/44/569013944.db2.gz MQJFIJWKYSWBOQ-RXVVDRJESA-N 1 0 419.447 4.280 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 ZINC000012877657 569013994 /nfs/dbraw/zinc/01/39/94/569013994.db2.gz MQJFIJWKYSWBOQ-GHTZIAJQSA-N 1 0 419.447 4.280 50 0 HIAARO Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000026121010 569017436 /nfs/dbraw/zinc/01/74/36/569017436.db2.gz BVUMINSBQAXUII-UHFFFAOYSA-N 1 0 406.530 4.131 50 0 HIAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)cc1 ZINC000026120995 569017469 /nfs/dbraw/zinc/01/74/69/569017469.db2.gz JXNUIAZQCNXNAU-UHFFFAOYSA-N 1 0 406.530 4.131 50 0 HIAARO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000012918866 569022718 /nfs/dbraw/zinc/02/27/18/569022718.db2.gz FHHRRKLWAQTGMQ-MSOLQXFVSA-N 1 0 402.494 4.438 50 0 HIAARO Cc1sc2ncnc(N[C@H](C)C(=O)NCc3ccccc3C[NH+]3CCCC3)c2c1C ZINC000012922311 569023247 /nfs/dbraw/zinc/02/32/47/569023247.db2.gz JXCFRWRZNJNHRL-MRXNPFEDSA-N 1 0 423.586 4.021 50 0 HIAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012926378 569023804 /nfs/dbraw/zinc/02/38/04/569023804.db2.gz ABEMAEBBYXLODN-UHFFFAOYSA-N 1 0 402.288 4.375 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927693 569023966 /nfs/dbraw/zinc/02/39/66/569023966.db2.gz JXWJDGDNNAEWFI-GGAORHGYSA-N 1 0 422.573 4.130 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccccc1)=N2 ZINC000035372695 569033780 /nfs/dbraw/zinc/03/37/80/569033780.db2.gz IVFYOTSLLJRFHA-UHFFFAOYSA-N 1 0 424.545 4.211 50 0 HIAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575621542 569039073 /nfs/dbraw/zinc/03/90/73/569039073.db2.gz PMCXSQIPDBAAIU-NRFANRHFSA-N 1 0 422.529 4.474 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1N1CCCC1=O)c1ccccc1Cl ZINC000013011224 569050178 /nfs/dbraw/zinc/05/01/78/569050178.db2.gz UYVRIESLIGURIK-NRFANRHFSA-N 1 0 413.949 4.280 50 0 HIAARO Cc1ccc2c(C[N@H+](C)CCOc3ccc(Br)cc3)cc(=O)oc2c1 ZINC000013013587 569050907 /nfs/dbraw/zinc/05/09/07/569050907.db2.gz LKDSDUYKCQHYRP-UHFFFAOYSA-N 1 0 402.288 4.375 50 0 HIAARO COc1ccc(CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1OC ZINC000001750066 569051872 /nfs/dbraw/zinc/05/18/72/569051872.db2.gz JDEYWFJUEBINPN-IBGZPJMESA-N 1 0 404.510 4.005 50 0 HIAARO Cc1oc2c(c1C(=O)N1CC[C@@]3(C1)CCC[N@H+](CCc1ccccc1)C3)C(=O)CCC2 ZINC000426368154 569072539 /nfs/dbraw/zinc/07/25/39/569072539.db2.gz BDIBNPNRMUGWMJ-SANMLTNESA-N 1 0 420.553 4.278 50 0 HIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036032120 569081194 /nfs/dbraw/zinc/08/11/94/569081194.db2.gz FLZCZYLLCATZPP-QFIPXVFZSA-N 1 0 405.494 4.166 50 0 HIAARO CCCn1c2ccccc2nc1SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000006657394 569082968 /nfs/dbraw/zinc/08/29/68/569082968.db2.gz USXUMVQEEIPCEL-UHFFFAOYSA-N 1 0 422.598 4.451 50 0 HIAARO CCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CC[NH+]2CCCC2)no1 ZINC000064761095 569091201 /nfs/dbraw/zinc/09/12/01/569091201.db2.gz MPJGZBGUCPQEML-UHFFFAOYSA-N 1 0 403.486 4.248 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)c1OC ZINC000036103626 569092169 /nfs/dbraw/zinc/09/21/69/569092169.db2.gz PPPSRPNWFIMOAP-QFIPXVFZSA-N 1 0 407.510 4.146 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103632 569092411 /nfs/dbraw/zinc/09/24/11/569092411.db2.gz XBLZXZAHTKXOEW-XMMPIXPASA-N 1 0 421.537 4.284 50 0 HIAARO CCn1cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(OC)c2)c2ccccc21 ZINC000006712306 569097311 /nfs/dbraw/zinc/09/73/11/569097311.db2.gz YWNQUHORTAUEOK-QHCPKHFHSA-N 1 0 419.569 4.404 50 0 HIAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146231 569098608 /nfs/dbraw/zinc/09/86/08/569098608.db2.gz HJZYRRJFNFLEPM-GOTSBHOMSA-N 1 0 418.512 4.425 50 0 HIAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)C(C)C ZINC000036301491 569127885 /nfs/dbraw/zinc/12/78/85/569127885.db2.gz RATDOXQRDSSDLU-QHCPKHFHSA-N 1 0 423.557 4.345 50 0 HIAARO COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308090 569130175 /nfs/dbraw/zinc/13/01/75/569130175.db2.gz ASRMMHZKTCHYKI-NRFANRHFSA-N 1 0 423.557 4.345 50 0 HIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807048 569131224 /nfs/dbraw/zinc/13/12/24/569131224.db2.gz OXEZCNMMIWQANY-BGYRXZFFSA-N 1 0 405.546 4.046 50 0 HIAARO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc32)c1 ZINC000064955777 569133744 /nfs/dbraw/zinc/13/37/44/569133744.db2.gz HHLVMDYPUAHNSM-UHFFFAOYSA-N 1 0 420.557 4.089 50 0 HIAARO CC[C@@H](C)[N@H+](CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817722 569138758 /nfs/dbraw/zinc/13/87/58/569138758.db2.gz AJDYIALKZCPRRB-MRXNPFEDSA-N 1 0 424.570 4.316 50 0 HIAARO C[NH+](C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000006834578 569148676 /nfs/dbraw/zinc/14/86/76/569148676.db2.gz ZXUBQRIYTBTJLJ-GOSISDBHSA-N 1 0 403.448 4.387 50 0 HIAARO CC(C)c1nc(-n2cccc2)sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065118585 569182106 /nfs/dbraw/zinc/18/21/06/569182106.db2.gz OQGSDZCQYSXOIG-UHFFFAOYSA-N 1 0 408.571 4.452 50 0 HIAARO Cc1ccc(-c2ncc(C(=O)NCC[NH+]3CCCCCC3)c(-c3ccncc3)n2)cc1 ZINC000065153908 569187652 /nfs/dbraw/zinc/18/76/52/569187652.db2.gz ADEPDVRRVDNISV-UHFFFAOYSA-N 1 0 415.541 4.120 50 0 HIAARO CC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1 ZINC000007000362 569197877 /nfs/dbraw/zinc/19/78/77/569197877.db2.gz GSTVFJVQIBUFAQ-UHFFFAOYSA-N 1 0 416.525 4.411 50 0 HIAARO O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255124 569207589 /nfs/dbraw/zinc/20/75/89/569207589.db2.gz AYRLSJKOIBZYMB-UHFFFAOYSA-N 1 0 416.447 4.081 50 0 HIAARO O=C(Nc1ccccc1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)nc1 ZINC000065256974 569208548 /nfs/dbraw/zinc/20/85/48/569208548.db2.gz RECNOCWUXUGHHK-OAQYLSRUSA-N 1 0 406.917 4.356 50 0 HIAARO O=C(c1ccsc1)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265685 569212898 /nfs/dbraw/zinc/21/28/98/569212898.db2.gz HLVMPLSAIOUGCM-HSZRJFAPSA-N 1 0 417.538 4.063 50 0 HIAARO O=C(c1ccsc1)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265686 569212981 /nfs/dbraw/zinc/21/29/81/569212981.db2.gz HLVMPLSAIOUGCM-QHCPKHFHSA-N 1 0 417.538 4.063 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000007105823 569220152 /nfs/dbraw/zinc/22/01/52/569220152.db2.gz WFLPAMMUVSIIQG-UHFFFAOYSA-N 1 0 401.510 4.123 50 0 HIAARO O=C(Cc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447760 569239289 /nfs/dbraw/zinc/23/92/89/569239289.db2.gz XTOCAPYGJLBYGP-UHFFFAOYSA-N 1 0 401.348 4.294 50 0 HIAARO Cc1cccc(-c2nc(CC(=O)Nc3ccccc3N3CC[NH+](C)CC3)cs2)c1 ZINC000014633869 569261125 /nfs/dbraw/zinc/26/11/25/569261125.db2.gz NBXJGXLEVDYFMK-UHFFFAOYSA-N 1 0 406.555 4.052 50 0 HIAARO Cc1cccc(C[NH+]2CCC(NC(=O)COc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000089669485 569262201 /nfs/dbraw/zinc/26/22/01/569262201.db2.gz NAJMVFKHOVBFFS-UHFFFAOYSA-N 1 0 406.448 4.173 50 0 HIAARO Cc1cccc(Oc2ccc(NC(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2)c1 ZINC000089677834 569262310 /nfs/dbraw/zinc/26/23/10/569262310.db2.gz NTYZKBCZKUUALO-LJQANCHMSA-N 1 0 411.546 4.344 50 0 HIAARO COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)c1 ZINC000016993922 569270887 /nfs/dbraw/zinc/27/08/87/569270887.db2.gz CYYVXLKZTDFAMN-QHCPKHFHSA-N 1 0 408.498 4.088 50 0 HIAARO Cc1ccc2nc(C[N@H+](C)Cc3cc(C)c(OCC(F)(F)F)c(C)c3)cc(=O)n2c1 ZINC000054394291 569277675 /nfs/dbraw/zinc/27/76/75/569277675.db2.gz UOGFOQPSNCTMOB-UHFFFAOYSA-N 1 0 419.447 4.193 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(Cc2ccccc2Cl)c1 ZINC000027140200 569282937 /nfs/dbraw/zinc/28/29/37/569282937.db2.gz JSZNFDGHXFOCDB-UHFFFAOYSA-N 1 0 408.933 4.111 50 0 HIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(Cn2nc(C)cc2C)c1 ZINC000002126366 569286212 /nfs/dbraw/zinc/28/62/12/569286212.db2.gz KOTONNGISRFNAM-XMMPIXPASA-N 1 0 416.525 4.282 50 0 biogenic HIAARO COc1ccc(SCC(=O)N(CC[NH+](C)C)c2nc3c(cccc3C)s2)cc1 ZINC000007597492 569287828 /nfs/dbraw/zinc/28/78/28/569287828.db2.gz QGMMAOZSYZRLNH-UHFFFAOYSA-N 1 0 415.584 4.300 50 0 HIAARO C[C@H]1C[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000170654895 569295364 /nfs/dbraw/zinc/29/53/64/569295364.db2.gz QEGOEQSOVOAAGH-QFBILLFUSA-N 1 0 406.448 4.254 50 0 HIAARO COc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC(F)F ZINC000007652291 569299000 /nfs/dbraw/zinc/29/90/00/569299000.db2.gz STLYJAXIQGAKGI-UHFFFAOYSA-N 1 0 406.473 4.059 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 ZINC000007829066 569313397 /nfs/dbraw/zinc/31/33/97/569313397.db2.gz KKNGHGUDMHNKGG-UHFFFAOYSA-N 1 0 413.949 4.239 50 0 HIAARO OCCN1CC[NH+](CC/C=C2\c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000195751173 569314161 /nfs/dbraw/zinc/31/41/61/569314161.db2.gz JLEXAIZTZXJDTI-AERZKKPOSA-N 1 0 415.002 4.377 50 0 HIAARO CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000002235097 569321296 /nfs/dbraw/zinc/32/12/96/569321296.db2.gz CVUFXTDUEOOAER-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC(C)Cc1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253398063 569365279 /nfs/dbraw/zinc/36/52/79/569365279.db2.gz BVVXSEBNLYUYSI-ZWKOTPCHSA-N 1 0 400.592 4.127 50 0 HIAARO CCc1ccc([C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)[NH+](C)C)cc1 ZINC000027597535 569375781 /nfs/dbraw/zinc/37/57/81/569375781.db2.gz JEWGQECZGRXFMR-JOCHJYFZSA-N 1 0 409.555 4.317 50 0 HIAARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1OC ZINC000012661420 569402629 /nfs/dbraw/zinc/40/26/29/569402629.db2.gz OGMOAZOYJFBAAJ-WAUXFYSMSA-N 1 0 413.558 4.150 50 0 HIAARO COc1cc(C[NH2+]CCc2c[nH]cn2)cc(Br)c1OCc1ccccc1 ZINC000078869794 569420989 /nfs/dbraw/zinc/42/09/89/569420989.db2.gz QCKPCHKTHBWWBN-UHFFFAOYSA-N 1 0 416.319 4.092 50 0 HIAARO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000079026211 569424853 /nfs/dbraw/zinc/42/48/53/569424853.db2.gz GCKKIPDJFWAXMM-UHFFFAOYSA-N 1 0 413.587 4.488 50 0 HIAARO CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067723 569426577 /nfs/dbraw/zinc/42/65/77/569426577.db2.gz JVNZEMYXBWEJSX-UWJYYQICSA-N 1 0 424.545 4.343 50 0 HIAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000079073945 569426955 /nfs/dbraw/zinc/42/69/55/569426955.db2.gz GZCGRJAKVZIYOK-QFIPXVFZSA-N 1 0 415.622 4.210 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cc2)CC1 ZINC000040087400 571157914 /nfs/dbraw/zinc/15/79/14/571157914.db2.gz GNEGTXCWPIHQJV-UHFFFAOYSA-N 1 0 410.905 4.389 50 0 HIAARO Cn1ccnc1Sc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000040104363 571165150 /nfs/dbraw/zinc/16/51/50/571165150.db2.gz HNMXJANIVXMBSF-GOSISDBHSA-N 1 0 411.531 4.123 50 0 HIAARO CCC(CC)(CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)[NH+](C)C ZINC000040105585 571166158 /nfs/dbraw/zinc/16/61/58/571166158.db2.gz ACUOUUAPBNEHBO-UHFFFAOYSA-N 1 0 404.486 4.221 50 0 HIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(COc3ccccc3F)o2)CC1 ZINC000040130772 571182551 /nfs/dbraw/zinc/18/25/51/571182551.db2.gz HALJVCXTIZVSAI-UHFFFAOYSA-N 1 0 423.488 4.392 50 0 HIAARO CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000245297183 571223408 /nfs/dbraw/zinc/22/34/08/571223408.db2.gz PQZWZSQBGGMYCO-CWCCKTLESA-N 1 0 407.643 4.114 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000009377857 571253120 /nfs/dbraw/zinc/25/31/20/571253120.db2.gz PORUETWUMUILJZ-NRFANRHFSA-N 1 0 410.521 4.200 50 0 HIAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(I)cc1 ZINC000010311051 571300031 /nfs/dbraw/zinc/30/00/31/571300031.db2.gz FGECJBRECRKFNE-KRWDZBQOSA-N 1 0 406.267 4.067 50 0 HIAARO Cc1ccc2nc(OCc3ccccc3Cl)c(C[NH2+]CCn3cncn3)cc2c1 ZINC000011786058 845833643 /nfs/dbraw/zinc/83/36/43/845833643.db2.gz UXCUBUJYYLKYDK-UHFFFAOYSA-N 1 0 407.905 4.157 50 0 HIAARO CC(C)CN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000011815719 845836028 /nfs/dbraw/zinc/83/60/28/845836028.db2.gz UTDNYQPBRSRIPN-XMMPIXPASA-N 1 0 417.569 4.073 50 0 HIAARO Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000011842657 845838077 /nfs/dbraw/zinc/83/80/77/845838077.db2.gz UZQVVBJWSJYGHH-DEOSSOPVSA-N 1 0 406.505 4.364 50 0 HIAARO CO[C@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)C1 ZINC000011873137 845838945 /nfs/dbraw/zinc/83/89/45/845838945.db2.gz IFJNPNJJLNBSHY-IBGZPJMESA-N 1 0 422.997 4.480 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc4ncccc34)CC2)O1)c1ccccc1 ZINC000011910534 845840405 /nfs/dbraw/zinc/84/04/05/845840405.db2.gz DHJHFOUDVIREPW-JOCHJYFZSA-N 1 0 415.537 4.178 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc4ccccc4c3)CC2)O1)c1ccco1 ZINC000012159145 845856909 /nfs/dbraw/zinc/85/69/09/845856909.db2.gz OROFLRWDOXNHHC-QFIPXVFZSA-N 1 0 404.510 4.376 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1sc2ncnc(N[C@H](C)c3cccs3)c2c1C ZINC000012191456 845858642 /nfs/dbraw/zinc/85/86/42/845858642.db2.gz FOWRIUOOZUVRRJ-CQSZACIVSA-N 1 0 417.604 4.306 50 0 HIAARO COc1cc2c(cc1CN1CC[C@@]3(C1)CCC[N@H+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209893 845859514 /nfs/dbraw/zinc/85/95/14/845859514.db2.gz RONCEGXNSRQNOI-VWLOTQADSA-N 1 0 408.542 4.220 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1cn2ccccc2n1 ZINC000012299780 845865748 /nfs/dbraw/zinc/86/57/48/845865748.db2.gz LQOBWCAHZJESGM-UHFFFAOYSA-N 1 0 410.949 4.014 50 0 HIAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000012299168 845865786 /nfs/dbraw/zinc/86/57/86/845865786.db2.gz CZLUDYZUCHUPMI-NRFANRHFSA-N 1 0 402.542 4.103 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCc1scnc1C ZINC000012302767 845867161 /nfs/dbraw/zinc/86/71/61/845867161.db2.gz FWHDQCBTKXQXFI-FQEVSTJZSA-N 1 0 417.594 4.326 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000012433972 845870113 /nfs/dbraw/zinc/87/01/13/845870113.db2.gz SNUCYWURUPFUCR-UHFFFAOYSA-N 1 0 422.548 4.048 50 0 HIAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000012448806 845870947 /nfs/dbraw/zinc/87/09/47/845870947.db2.gz BWZFMJMVARXZNY-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+]3CCC[C@@]123 ZINC000012440051 845870999 /nfs/dbraw/zinc/87/09/99/845870999.db2.gz KTERCUZPTVNXKG-ZJOUEHCJSA-N 1 0 401.432 4.038 50 0 HIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012704754 845884054 /nfs/dbraw/zinc/88/40/54/845884054.db2.gz KLFAUVIOYLLNHN-OAQYLSRUSA-N 1 0 420.509 4.168 50 0 HIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012704760 845884285 /nfs/dbraw/zinc/88/42/85/845884285.db2.gz KLFAUVIOYLLNHN-NRFANRHFSA-N 1 0 420.509 4.168 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000014986457 845996889 /nfs/dbraw/zinc/99/68/89/845996889.db2.gz QSYIBWRGFDWNKB-ZRBLBEILSA-N 1 0 424.585 4.326 50 0 HIAARO Cc1nc(NCc2ccc3c(c2)CCO3)sc1-c1ccn(C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000015001817 845998949 /nfs/dbraw/zinc/99/89/49/845998949.db2.gz SLYHPKTZZAYYKO-GOSISDBHSA-N 1 0 423.586 4.204 50 0 HIAARO CC(C)C[N@H+](C)[C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000015004020 845999094 /nfs/dbraw/zinc/99/90/94/845999094.db2.gz ZJYXOCIVLCEXMV-GOSISDBHSA-N 1 0 407.583 4.243 50 0 HIAARO CCN(CC[NH+](C)C)C(=O)c1sc2ncnc(N[C@@H](C)c3cccs3)c2c1C ZINC000015071175 846004936 /nfs/dbraw/zinc/00/49/36/846004936.db2.gz ORAZKSACRWDMSE-AWEZNQCLSA-N 1 0 417.604 4.258 50 0 HIAARO COC(=O)Cn1cc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c2ccccc21 ZINC000015074418 846006498 /nfs/dbraw/zinc/00/64/98/846006498.db2.gz YERWZNGDSMWYSZ-QGZVFWFLSA-N 1 0 402.498 4.159 50 0 HIAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000019632831 846370078 /nfs/dbraw/zinc/37/00/78/846370078.db2.gz MRKLNHVEJNRXGB-KRWDZBQOSA-N 1 0 418.453 4.044 50 0 HIAARO CC(=O)Nc1ccc2nc(CN3CCC[C@H]([N@@H+]4CCc5ccccc5C4)C3)ccc2c1 ZINC000019853037 846373674 /nfs/dbraw/zinc/37/36/74/846373674.db2.gz FYXMZDNHWMCUHD-VWLOTQADSA-N 1 0 414.553 4.216 50 0 HIAARO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cccc4cccnc43)C1)CC2 ZINC000020542341 846384836 /nfs/dbraw/zinc/38/48/36/846384836.db2.gz WEZNTJKRKHADMQ-QHCPKHFHSA-N 1 0 417.553 4.275 50 0 HIAARO C[NH+](C)CC(C)(C)CN/C=C1/c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000021360197 846434293 /nfs/dbraw/zinc/43/42/93/846434293.db2.gz MSLLABUIJHJACD-AQTBWJFISA-N 1 0 411.933 4.045 50 0 HIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc(Cl)s3)C2)CC1 ZINC000022853461 846629555 /nfs/dbraw/zinc/62/95/55/846629555.db2.gz ANSCVXZOTFEVLQ-QGZVFWFLSA-N 1 0 405.995 4.197 50 0 HIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2c2nncc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000023214033 846671416 /nfs/dbraw/zinc/67/14/16/846671416.db2.gz LPPFCRMWWDYMOW-NRFANRHFSA-N 1 0 417.513 4.061 50 0 HIAARO COc1ccc(-c2ncc(CN3CCC[C@@H]([N@@H+]4CCc5ccccc5C4)C3)cn2)cc1 ZINC000023361358 846689994 /nfs/dbraw/zinc/68/99/94/846689994.db2.gz SAMFYTMCPRPHKS-XMMPIXPASA-N 1 0 414.553 4.175 50 0 HIAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]4C[N@H+](CC(C)C)CC[C@@H]43)cc2)n1 ZINC000023380419 846691162 /nfs/dbraw/zinc/69/11/62/846691162.db2.gz RTQXSAVAMGVIMY-RPWUZVMVSA-N 1 0 408.590 4.131 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(OC(F)F)cc1)[NH+]1CCCC1 ZINC000023713958 846743408 /nfs/dbraw/zinc/74/34/08/846743408.db2.gz WPOMYRSCDUALNZ-YPNIWSFNSA-N 1 0 416.468 4.263 50 0 HIAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000043103102 848384430 /nfs/dbraw/zinc/38/44/30/848384430.db2.gz XNXWJALHWZCPIS-GHTZIAJQSA-N 1 0 403.530 4.046 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1CC1CCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000257183772 854233654 /nfs/dbraw/zinc/23/36/54/854233654.db2.gz HXNIESLOGAEMHE-UHFFFAOYSA-N 1 0 410.562 4.016 50 0 HIAARO CCn1cc(C[NH+]2CCC(N3C(=O)C4(CCCCC4)[C@@H]3c3ccncc3)CC2)c(C)n1 ZINC000257187009 854233857 /nfs/dbraw/zinc/23/38/57/854233857.db2.gz LDYCHPCTGGCKMZ-QHCPKHFHSA-N 1 0 421.589 4.105 50 0 HIAARO CC[NH+]1CCC(CC(=O)N2CC3(C[C@@H]2COCc2ccncc2)CCCCC3)CC1 ZINC000257190693 854234751 /nfs/dbraw/zinc/23/47/51/854234751.db2.gz NNZXWWWJFCGKFM-HSZRJFAPSA-N 1 0 413.606 4.272 50 0 HIAARO Cc1nnc([C@@H]2CC3(CN2Cc2cccnc2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190666 854235191 /nfs/dbraw/zinc/23/51/91/854235191.db2.gz NHSDPFOXBPBPDW-QFIPXVFZSA-N 1 0 403.530 4.002 50 0 HIAARO CCCC(CCC)C(=O)N1CCC2(CC1)[NH2+]CCCN=C2Nc1cccc(F)c1 ZINC000409419925 855484209 /nfs/dbraw/zinc/48/42/09/855484209.db2.gz DRZQUOFZSOYOQS-UHFFFAOYSA-N 1 0 402.558 4.207 50 0 HIAARO CCN1CCC([N@@H+]2CC[C@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)CC1 ZINC000575314480 948643023 /nfs/dbraw/zinc/64/30/23/948643023.db2.gz XMJADYVTMMBISC-QHCPKHFHSA-N 1 0 418.541 4.341 50 0 HIAARO COc1ccc(C2(C(=O)N3CCC(Cc4[nH+]cc(C)n4CC4CC4)CC3)CC2)cc1 ZINC000575317493 948644591 /nfs/dbraw/zinc/64/45/91/948644591.db2.gz KYRBASCQDYCXMA-UHFFFAOYSA-N 1 0 407.558 4.123 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1C[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000575547731 948676440 /nfs/dbraw/zinc/67/64/40/948676440.db2.gz SWZGWIMAOACWOY-SFHVURJKSA-N 1 0 406.530 4.119 50 0 HIAARO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000003917109 132269229 /nfs/dbraw/zinc/26/92/29/132269229.db2.gz MNHDKMDLOJSCGN-UHFFFAOYSA-N 1 0 417.553 4.181 50 0 in-vitro HIAARO CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CC[NH2+]CC2)n1)CCC4 ZINC000005156794 132303474 /nfs/dbraw/zinc/30/34/74/132303474.db2.gz LUBXWZLTWIOIGL-UHFFFAOYSA-N 1 0 413.616 4.058 50 0 HIAARO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000032935345 519798643 /nfs/dbraw/zinc/79/86/43/519798643.db2.gz ZEWURKVDRPBLLG-OAQYLSRUSA-N 1 0 413.587 4.373 50 0 HIAARO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccccc1C ZINC000040743802 520712791 /nfs/dbraw/zinc/71/27/91/520712791.db2.gz RPPHESWIXJQIRI-UHFFFAOYSA-N 1 0 408.336 4.207 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040738017 520726569 /nfs/dbraw/zinc/72/65/69/520726569.db2.gz QZTSTGMDLDLFAZ-UHFFFAOYSA-N 1 0 405.498 4.096 50 0 HIAARO CCc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000019909400 521855275 /nfs/dbraw/zinc/85/52/75/521855275.db2.gz MJOLXPNSZSDEPM-RUZDIDTESA-N 1 0 416.565 4.478 50 0 HIAARO CN(Cc1c[nH]nc1-c1cccc(F)c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020600687 523161262 /nfs/dbraw/zinc/16/12/62/523161262.db2.gz QUHUHXPBWRLIBF-HSZRJFAPSA-N 1 0 404.533 4.279 50 0 HIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020541785 523406325 /nfs/dbraw/zinc/40/63/25/523406325.db2.gz BDDMKBPOKRJURF-JWZSXRADSA-N 1 0 409.549 4.134 50 0 HIAARO CN(Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S)C1CC[NH+](C)CC1 ZINC000023968076 523618379 /nfs/dbraw/zinc/61/83/79/523618379.db2.gz DUCZZSUFUGGUEM-UHFFFAOYSA-N 1 0 411.550 4.193 50 0 HIAARO COc1ccc(CC[NH2+]Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000040733082 523975642 /nfs/dbraw/zinc/97/56/42/523975642.db2.gz BWYCKWLUFLAWIZ-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO C[C@H](CNC(=O)c1cc(Br)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032800722 524458382 /nfs/dbraw/zinc/45/83/82/524458382.db2.gz MKASPWRFSUMJOR-CYBMUJFWSA-N 1 0 407.739 4.279 50 0 HIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)CCc3ccccc3Cl)CC2)c1 ZINC000032066405 524554662 /nfs/dbraw/zinc/55/46/62/524554662.db2.gz ARHDFSGNEUJDGO-UHFFFAOYSA-N 1 0 413.993 4.300 50 0 HIAARO COc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4 ZINC000020291338 524687178 /nfs/dbraw/zinc/68/71/78/524687178.db2.gz VZFFVAGCUCBZPR-UHFFFAOYSA-N 1 0 423.542 4.086 50 0 HIAARO C[C@@H]([NH3+])CCCOc1c(Br)cc(Br)cc1Br ZINC000045618076 524998431 /nfs/dbraw/zinc/99/84/31/524998431.db2.gz CVWXXNBLWVLBPR-SSDOTTSWSA-N 1 0 415.951 4.480 50 0 HIAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)c(C)c2c1 ZINC000020600340 525480422 /nfs/dbraw/zinc/48/04/22/525480422.db2.gz QRGVVBSBURSORU-JOCHJYFZSA-N 1 0 418.585 4.272 50 0 HIAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040744040 525804673 /nfs/dbraw/zinc/80/46/73/525804673.db2.gz VIWKLRBLKGELIH-LLVKDONJSA-N 1 0 402.691 4.291 50 0 HIAARO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000032865539 525911000 /nfs/dbraw/zinc/91/10/00/525911000.db2.gz VMOKLPZUULCAMG-LRXVAGHRSA-N 1 0 416.949 4.129 50 0 HIAARO COc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000000959123 526194419 /nfs/dbraw/zinc/19/44/19/526194419.db2.gz YZBSFIONDXTHTO-UHFFFAOYSA-N 1 0 408.424 4.110 50 0 HIAARO O=C(C1CC[NH+](C2CCN(C/C(Cl)=C/c3ccccc3)CC2)CC1)N1CCCC1 ZINC000020203140 526303389 /nfs/dbraw/zinc/30/33/89/526303389.db2.gz OAGFNSOQQBCGKO-PYCFMQQDSA-N 1 0 416.009 4.065 50 0 HIAARO O=C(CCC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1)NCc1ccc(F)cc1 ZINC000020601505 526408658 /nfs/dbraw/zinc/40/86/58/526408658.db2.gz HDMMBTSVXACVRY-VWLOTQADSA-N 1 0 423.576 4.209 50 0 HIAARO O=C(Nc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)c1ccc(F)cc1 ZINC000032913849 527330451 /nfs/dbraw/zinc/33/04/51/527330451.db2.gz WYLRIBBPDNRVOD-QHCPKHFHSA-N 1 0 417.484 4.082 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c3c(ccc2Cl)OCCn13 ZINC000020559970 527531658 /nfs/dbraw/zinc/53/16/58/527531658.db2.gz DWINVLRNQYTFOJ-UHFFFAOYSA-N 1 0 409.917 4.082 50 0 HIAARO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000020929664 558423861 /nfs/dbraw/zinc/42/38/61/558423861.db2.gz HFDFVBWLXGABNI-ZDUSSCGKSA-N 1 0 407.146 4.269 50 0 HIAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(Br)cc2)cc1 ZINC000000632179 557027233 /nfs/dbraw/zinc/02/72/33/557027233.db2.gz URGVMAVFRWUUAA-OAQYLSRUSA-N 1 0 416.339 4.108 50 0 HIAARO NC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)cc1 ZINC000071889325 557294274 /nfs/dbraw/zinc/29/42/74/557294274.db2.gz VLWVJBYLSSDOCO-DEOSSOPVSA-N 1 0 419.569 4.083 50 0 HIAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1cccc(Br)c1 ZINC000002514728 557353796 /nfs/dbraw/zinc/35/37/96/557353796.db2.gz WPNYMYZTANBJKK-UHFFFAOYSA-N 1 0 416.315 4.019 50 0 HIAARO O=C(c1cccc(Br)c1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515228 557353969 /nfs/dbraw/zinc/35/39/69/557353969.db2.gz AJFKVWCEHOUUPO-UHFFFAOYSA-N 1 0 416.315 4.019 50 0 HIAARO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccc(C)c(F)c3)CC2)c1OC ZINC000034682717 557384626 /nfs/dbraw/zinc/38/46/26/557384626.db2.gz UKMRVVPIEXLWGF-UHFFFAOYSA-N 1 0 400.494 4.169 50 0 HIAARO C[C@H](C(=O)NC1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684517 557387716 /nfs/dbraw/zinc/38/77/16/557387716.db2.gz SAZRJXXCGHOQLI-OAQYLSRUSA-N 1 0 405.586 4.231 50 0 HIAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740523 557444044 /nfs/dbraw/zinc/44/40/44/557444044.db2.gz XMJZRTUJAVPONG-REWPJTCUSA-N 1 0 416.537 4.074 50 0 HIAARO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000003077194 557445043 /nfs/dbraw/zinc/44/50/43/557445043.db2.gz LUXULOMFABLVRF-UHFFFAOYSA-N 1 0 408.567 4.431 50 0 HIAARO CC[NH+](CC)CCSCC(=O)Nc1c(=O)c2ccccc2oc1-c1ccccc1 ZINC000003126977 557448957 /nfs/dbraw/zinc/44/89/57/557448957.db2.gz JFONCCGSMVXRRU-UHFFFAOYSA-N 1 0 410.539 4.474 50 0 HIAARO OCc1cc([C@@H](O)C[NH2+]CCCCCCOCCCCc2ccccc2)ccc1O ZINC000003799072 557498786 /nfs/dbraw/zinc/49/87/86/557498786.db2.gz GIIZNNXWQWCKIB-VWLOTQADSA-N 1 0 415.574 4.107 50 0 fda HIAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C2CC2)CC1 ZINC000004241104 557531437 /nfs/dbraw/zinc/53/14/37/557531437.db2.gz VAGGXQINFJWBRW-UHFFFAOYSA-N 1 0 405.542 4.418 50 0 HIAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794950 557822283 /nfs/dbraw/zinc/82/22/83/557822283.db2.gz JRCATXPSPQVTEW-FQEVSTJZSA-N 1 0 406.357 4.020 50 0 HIAARO Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000010233134 557857695 /nfs/dbraw/zinc/85/76/95/557857695.db2.gz ITGOUOWZRDRLNF-QFIPXVFZSA-N 1 0 404.510 4.215 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921893 558263804 /nfs/dbraw/zinc/26/38/04/558263804.db2.gz BGJMXTWCMLLLQP-WIYYLYMNSA-N 1 0 401.938 4.102 50 0 HIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 ZINC000011702022 558270522 /nfs/dbraw/zinc/27/05/22/558270522.db2.gz BBXOBQQAVYZQAY-IBGZPJMESA-N 1 0 413.562 4.356 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cccn2-c2nccs2)CC1 ZINC000011753372 558272287 /nfs/dbraw/zinc/27/22/87/558272287.db2.gz WEUCOGAOZHFURB-UHFFFAOYSA-N 1 0 409.555 4.322 50 0 HIAARO CN(C)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000011820602 558283928 /nfs/dbraw/zinc/28/39/28/558283928.db2.gz AGTMDVRMBVEJTR-DEOSSOPVSA-N 1 0 413.512 4.159 50 0 HIAARO Cc1ccnc(C[C@H](C)[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1 ZINC000011821541 558284771 /nfs/dbraw/zinc/28/47/71/558284771.db2.gz MOVNOGBYUIQVEO-NRFANRHFSA-N 1 0 421.585 4.491 50 0 HIAARO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000011821721 558284849 /nfs/dbraw/zinc/28/48/49/558284849.db2.gz JDTUOGPKWZROPG-UHFFFAOYSA-N 1 0 415.537 4.098 50 0 HIAARO Cc1nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](CCCc4ccccc4)C3)cc2nc1C ZINC000011840744 558286687 /nfs/dbraw/zinc/28/66/87/558286687.db2.gz ZVBAXDBJOVXJDM-HSZRJFAPSA-N 1 0 416.569 4.416 50 0 HIAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000011840803 558286739 /nfs/dbraw/zinc/28/67/39/558286739.db2.gz XMBKFERFHDQRJC-QGZVFWFLSA-N 1 0 400.906 4.402 50 0 HIAARO Cc1noc(C)c1CCC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011874324 558291926 /nfs/dbraw/zinc/29/19/26/558291926.db2.gz GMUCHPXHWREGNJ-UHFFFAOYSA-N 1 0 424.589 4.302 50 0 HIAARO CCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)o1 ZINC000011934817 558298933 /nfs/dbraw/zinc/29/89/33/558298933.db2.gz YQFWMXWBMUEUII-UHFFFAOYSA-N 1 0 419.525 4.210 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)CCc2cn[nH]c2)cc1F ZINC000012021578 558309456 /nfs/dbraw/zinc/30/94/56/558309456.db2.gz MHJFQEFDYPHILX-UHFFFAOYSA-N 1 0 419.504 4.393 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc(OC(F)(F)F)c2)c1 ZINC000012036018 558311805 /nfs/dbraw/zinc/31/18/05/558311805.db2.gz IXFKIXQADUDCPG-SFHVURJKSA-N 1 0 422.447 4.265 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cccc(OC(F)(F)F)c1 ZINC000012039277 558312557 /nfs/dbraw/zinc/31/25/57/558312557.db2.gz LNQXFJXRGCCQDK-GOSISDBHSA-N 1 0 410.411 4.395 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(OC)cc1 ZINC000012049542 558313633 /nfs/dbraw/zinc/31/36/33/558313633.db2.gz XIXOQFJULKQCDT-QFIPXVFZSA-N 1 0 412.549 4.180 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C/C(C)=C/c3ccco3)CC2)c1 ZINC000012058749 558317136 /nfs/dbraw/zinc/31/71/36/558317136.db2.gz HEEWGDSGFVXQCQ-SAPNQHFASA-N 1 0 410.514 4.127 50 0 HIAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000012127996 558331572 /nfs/dbraw/zinc/33/15/72/558331572.db2.gz YGNVSNBDTZPMCV-HSZRJFAPSA-N 1 0 406.570 4.273 50 0 HIAARO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1C(C)C ZINC000020109762 558335031 /nfs/dbraw/zinc/33/50/31/558335031.db2.gz NEZIBQQKSDUWAM-NRFANRHFSA-N 1 0 402.966 4.334 50 0 HIAARO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](Cc4cccc5ccccc54)CC3)c12 ZINC000020133570 558337474 /nfs/dbraw/zinc/33/74/74/558337474.db2.gz PFAGRFREANDRQI-UHFFFAOYSA-N 1 0 420.520 4.291 50 0 HIAARO O=c1c(C[NH2+]Cc2cccnc2)cc2ccc(Cl)cc2n1CCOc1ccccc1 ZINC000012160273 558341629 /nfs/dbraw/zinc/34/16/29/558341629.db2.gz CHOQLMCCWWPVJO-UHFFFAOYSA-N 1 0 419.912 4.419 50 0 HIAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020207353 558346728 /nfs/dbraw/zinc/34/67/28/558346728.db2.gz YQENGNNQUJNFNI-VWLOTQADSA-N 1 0 419.613 4.332 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)cc2)c1 ZINC000012203660 558351977 /nfs/dbraw/zinc/35/19/77/558351977.db2.gz WXBVOUWKWNJERR-NRFANRHFSA-N 1 0 418.541 4.255 50 0 HIAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](Cc1ccccc1C)CC2 ZINC000012245801 558361450 /nfs/dbraw/zinc/36/14/50/558361450.db2.gz PPIXBRUIPBQYGE-RPWUZVMVSA-N 1 0 424.610 4.078 50 0 HIAARO Cc1cccn2c(C[NH2+]C34CC5CC(CC(C5)C3)C4)c(C(=O)N3CCCCC3)nc12 ZINC000012300147 558370067 /nfs/dbraw/zinc/37/00/67/558370067.db2.gz HVXKQGHWGBKEBA-UHFFFAOYSA-N 1 0 406.574 4.327 50 0 HIAARO CC(C)C[N@H+](C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012300176 558370136 /nfs/dbraw/zinc/37/01/36/558370136.db2.gz WNTSKWXHHZPLHQ-UHFFFAOYSA-N 1 0 410.949 4.274 50 0 HIAARO COc1cccc(-c2nc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3o2)c1 ZINC000012302520 558372022 /nfs/dbraw/zinc/37/20/22/558372022.db2.gz KTYBPOQSQHGXHQ-UHFFFAOYSA-N 1 0 405.498 4.204 50 0 HIAARO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012307201 558375941 /nfs/dbraw/zinc/37/59/41/558375941.db2.gz PMCQLRMCSZXJJM-FQEVSTJZSA-N 1 0 410.949 4.157 50 0 HIAARO O=C(CCc1ccco1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012314683 558378048 /nfs/dbraw/zinc/37/80/48/558378048.db2.gz XSBHDZGYQSTHCV-SFHVURJKSA-N 1 0 402.485 4.251 50 0 HIAARO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCn3ccnc3)n2)cc1 ZINC000012316930 558380291 /nfs/dbraw/zinc/38/02/91/558380291.db2.gz YFXDDFAAJCGHKD-QGZVFWFLSA-N 1 0 405.424 4.397 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@@H](C)CCn2cccn2)cc1 ZINC000012431060 558405704 /nfs/dbraw/zinc/40/57/04/558405704.db2.gz SQKXMSGOWQBFLX-SFHVURJKSA-N 1 0 419.504 4.452 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccncc1 ZINC000012432140 558406363 /nfs/dbraw/zinc/40/63/63/558406363.db2.gz BSGYYQAIENSRQU-UHFFFAOYSA-N 1 0 405.464 4.127 50 0 HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)cc1F ZINC000012438714 558410102 /nfs/dbraw/zinc/41/01/02/558410102.db2.gz QMWURRWMOVTHNI-QGZVFWFLSA-N 1 0 411.452 4.458 50 0 HIAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000012454546 558416824 /nfs/dbraw/zinc/41/68/24/558416824.db2.gz XTGHQUSNZXWPFP-UHFFFAOYSA-N 1 0 406.954 4.035 50 0 HIAARO Cc1oc(-c2ccc(F)cc2F)nc1C[NH+]1CCC(CCN2CCCC2=O)CC1 ZINC000020908952 558421640 /nfs/dbraw/zinc/42/16/40/558421640.db2.gz VTHURQXMHHEEST-UHFFFAOYSA-N 1 0 403.473 4.153 50 0 HIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCc1scnc1C ZINC000012472769 558422342 /nfs/dbraw/zinc/42/23/42/558422342.db2.gz LYHYDPONYYLSGJ-UHFFFAOYSA-N 1 0 413.631 4.496 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919135 558423423 /nfs/dbraw/zinc/42/34/23/558423423.db2.gz PSWSZLNEMPJBJV-OAQYLSRUSA-N 1 0 418.585 4.272 50 0 HIAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012571605 558429483 /nfs/dbraw/zinc/42/94/83/558429483.db2.gz NDLFSCBWJCBHOS-HXUWFJFHSA-N 1 0 420.532 4.335 50 0 HIAARO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)cc2c1OCO2 ZINC000012574870 558430571 /nfs/dbraw/zinc/43/05/71/558430571.db2.gz GWJGOOCBDFZATB-FQEVSTJZSA-N 1 0 405.498 4.394 50 0 HIAARO COc1cc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)ccc1OC1CC[NH+](C)CC1 ZINC000012591065 558435715 /nfs/dbraw/zinc/43/57/15/558435715.db2.gz GFSOVYSSEPTVTF-FPOVZHCZSA-N 1 0 412.574 4.281 50 0 HIAARO O=C(C1CCCCC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012708420 558450965 /nfs/dbraw/zinc/45/09/65/558450965.db2.gz MNZHCPLOVPKGTK-AREMUKBSSA-N 1 0 424.629 4.454 50 0 HIAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012710485 558452062 /nfs/dbraw/zinc/45/20/62/558452062.db2.gz FAQOKGTXTODEAO-RUZDIDTESA-N 1 0 408.542 4.341 50 0 HIAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012711752 558453118 /nfs/dbraw/zinc/45/31/18/558453118.db2.gz KWYGPTJRNKDIHV-UHFFFAOYSA-N 1 0 408.473 4.429 50 0 HIAARO COc1cc(OC)cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)c1 ZINC000004359759 558457002 /nfs/dbraw/zinc/45/70/02/558457002.db2.gz HGVPYPXESKWHBC-UHFFFAOYSA-N 1 0 417.506 4.051 50 0 HIAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)n1 ZINC000012744284 558457554 /nfs/dbraw/zinc/45/75/54/558457554.db2.gz KEJLVQXSBBISOK-RUZDIDTESA-N 1 0 407.533 4.445 50 0 HIAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000012750569 558458826 /nfs/dbraw/zinc/45/88/26/558458826.db2.gz FMBNDKKHBRLVIG-UHFFFAOYSA-N 1 0 406.534 4.058 50 0 HIAARO CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)c(C)n1 ZINC000012756740 558459980 /nfs/dbraw/zinc/45/99/80/558459980.db2.gz MADHZUAHDJZKME-HXUWFJFHSA-N 1 0 404.558 4.397 50 0 HIAARO C[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000012794833 558467950 /nfs/dbraw/zinc/46/79/50/558467950.db2.gz RXLORHZFNLLVSZ-IBGZPJMESA-N 1 0 419.569 4.093 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477761 /nfs/dbraw/zinc/47/77/61/558477761.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 1 0 400.588 4.346 50 0 HIAARO Cc1ccccc1OCC[N@@H+](C)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000012998148 558499476 /nfs/dbraw/zinc/49/94/76/558499476.db2.gz ZXRWNSLHDICSNI-UHFFFAOYSA-N 1 0 402.288 4.375 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(F)cc2F)ccc1O[C@H](C)C(=O)N(C)C ZINC000022787101 558511325 /nfs/dbraw/zinc/51/13/25/558511325.db2.gz ZUUOCPAGEBCACI-HUUCEWRRSA-N 1 0 406.473 4.070 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)ccc1O[C@H](C)C(=O)N(C)C ZINC000022787095 558511331 /nfs/dbraw/zinc/51/13/31/558511331.db2.gz ZUUOCPAGEBCACI-LSDHHAIUSA-N 1 0 406.473 4.070 50 0 HIAARO Cc1sc2nc(-c3cccs3)nc(NCC(C)(C)[NH+]3CCN(C)CC3)c2c1C ZINC000022930254 558523955 /nfs/dbraw/zinc/52/39/55/558523955.db2.gz PNOWADNPAWQYCM-UHFFFAOYSA-N 1 0 415.632 4.475 50 0 HIAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)s1 ZINC000023310650 558548553 /nfs/dbraw/zinc/54/85/53/558548553.db2.gz DQOGDOYTKGCFOQ-UHFFFAOYSA-N 1 0 408.527 4.490 50 0 HIAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000023373025 558553236 /nfs/dbraw/zinc/55/32/36/558553236.db2.gz MLBSVHMNARQEKM-HHHXNRCGSA-N 1 0 420.645 4.499 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000024602330 558602451 /nfs/dbraw/zinc/60/24/51/558602451.db2.gz WZBNKLGHUGBFFF-QGZVFWFLSA-N 1 0 423.586 4.011 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1cccs1 ZINC000072245331 558643127 /nfs/dbraw/zinc/64/31/27/558643127.db2.gz LFXUMOIKVMJLPK-INIZCTEOSA-N 1 0 405.614 4.117 50 0 HIAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014889101 558678050 /nfs/dbraw/zinc/67/80/50/558678050.db2.gz OTIGQFVRELXAFA-JOCHJYFZSA-N 1 0 418.537 4.402 50 0 HIAARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c12 ZINC000014899752 558678457 /nfs/dbraw/zinc/67/84/57/558678457.db2.gz YJASVIOSMSOSBI-UHFFFAOYSA-N 1 0 417.557 4.070 50 0 HIAARO Cc1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)cc1F ZINC000014952185 558681166 /nfs/dbraw/zinc/68/11/66/558681166.db2.gz SLJJMBMGYZQEMJ-QGZVFWFLSA-N 1 0 418.896 4.187 50 0 HIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c1 ZINC000014954509 558681960 /nfs/dbraw/zinc/68/19/60/558681960.db2.gz CPVXCXKQDBIDAZ-NRFANRHFSA-N 1 0 421.541 4.098 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)/C(F)=C/c1ccccc1 ZINC000014955766 558682540 /nfs/dbraw/zinc/68/25/40/558682540.db2.gz YZSIWGYSXGKOLP-IWQUUTMOSA-N 1 0 408.517 4.327 50 0 HIAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CSCCSC2)C1 ZINC000014959270 558683326 /nfs/dbraw/zinc/68/33/26/558683326.db2.gz ROLSIBISDSOXEZ-FQEVSTJZSA-N 1 0 415.571 4.001 50 0 HIAARO CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000027822876 558683716 /nfs/dbraw/zinc/68/37/16/558683716.db2.gz IHKSIMMPQJSONB-UHFFFAOYSA-N 1 0 417.015 4.415 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027995417 558689161 /nfs/dbraw/zinc/68/91/61/558689161.db2.gz FAAVQYYHWTYWAI-OXQOHEQNSA-N 1 0 402.922 4.069 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccs1 ZINC000014990358 558694020 /nfs/dbraw/zinc/69/40/20/558694020.db2.gz WCOKROSCDJIRSM-KRWDZBQOSA-N 1 0 402.560 4.188 50 0 HIAARO Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+](C)C)cc(=O)c2c1 ZINC000028290089 558696436 /nfs/dbraw/zinc/69/64/36/558696436.db2.gz LLLBRMYEBOYNFV-HXUWFJFHSA-N 1 0 406.526 4.432 50 0 HIAARO O=C(NC1CCCC1)c1cc2cc(C3(O)CC[NH+](Cc4ccoc4)CC3)ccc2o1 ZINC000015002563 558698354 /nfs/dbraw/zinc/69/83/54/558698354.db2.gz NLXVOVJDSJKPQY-UHFFFAOYSA-N 1 0 408.498 4.182 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccsc1 ZINC000072281254 558706918 /nfs/dbraw/zinc/70/69/18/558706918.db2.gz QUKXTKXIQWPJEJ-HXUWFJFHSA-N 1 0 414.575 4.470 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c(C)c1 ZINC000015068034 558710605 /nfs/dbraw/zinc/71/06/05/558710605.db2.gz QFHZQBJTRJMALG-QGZVFWFLSA-N 1 0 416.591 4.157 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000015075478 558716130 /nfs/dbraw/zinc/71/61/30/558716130.db2.gz SSAHYAUFYKIPQK-UHFFFAOYSA-N 1 0 418.497 4.010 50 0 HIAARO Brc1cccc(-c2ccc(C[NH+]3CCN(c4ncccn4)CC3)s2)c1 ZINC000029585979 558717356 /nfs/dbraw/zinc/71/73/56/558717356.db2.gz PPJGAVCZEOJMRN-UHFFFAOYSA-N 1 0 415.360 4.290 50 0 HIAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCc1cccnc1 ZINC000030545450 558732396 /nfs/dbraw/zinc/73/23/96/558732396.db2.gz DXFCEKZFZBYONI-SFHVURJKSA-N 1 0 415.497 4.101 50 0 HIAARO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1CO ZINC000072304025 558756664 /nfs/dbraw/zinc/75/66/64/558756664.db2.gz ACGDNJQSNUFERE-HXUWFJFHSA-N 1 0 416.949 4.267 50 0 HIAARO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1CO ZINC000072304026 558756747 /nfs/dbraw/zinc/75/67/47/558756747.db2.gz ACGDNJQSNUFERE-FQEVSTJZSA-N 1 0 416.949 4.267 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCC(C)CC3)no2)cc1 ZINC000015860527 558758376 /nfs/dbraw/zinc/75/83/76/558758376.db2.gz LWUUKLTUFSUKTI-OAQYLSRUSA-N 1 0 423.513 4.455 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000004585313 558776012 /nfs/dbraw/zinc/77/60/12/558776012.db2.gz OVRHNOZBFXODPJ-UHFFFAOYSA-N 1 0 411.527 4.056 50 0 HIAARO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339558 558786828 /nfs/dbraw/zinc/78/68/28/558786828.db2.gz JLWDFXHLWISJBH-NRFANRHFSA-N 1 0 408.542 4.422 50 0 HIAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)N1CCC[N@H+](C)CC1 ZINC000036646106 558800618 /nfs/dbraw/zinc/80/06/18/558800618.db2.gz RCSNODUQTPHMSG-UHFFFAOYSA-N 1 0 421.563 4.065 50 0 HIAARO COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000072328165 558863143 /nfs/dbraw/zinc/86/31/43/558863143.db2.gz MAGMOWVUYKVSGY-INIZCTEOSA-N 1 0 400.544 4.288 50 0 HIAARO CCOc1ccc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100071 558872269 /nfs/dbraw/zinc/87/22/69/558872269.db2.gz DLGBYQUVPKNUON-HSZRJFAPSA-N 1 0 422.613 4.413 50 0 HIAARO CC(C)/C=C/C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055199126 558875797 /nfs/dbraw/zinc/87/57/97/558875797.db2.gz KIFSZMVTGPNBBN-IBDYFIJFSA-N 1 0 409.496 4.031 50 0 HIAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000019360088 558876033 /nfs/dbraw/zinc/87/60/33/558876033.db2.gz ANKIBSSXGRNMRX-QHCPKHFHSA-N 1 0 413.565 4.016 50 0 HIAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004675686 558888402 /nfs/dbraw/zinc/88/84/02/558888402.db2.gz MGJBFAQJRAXZML-UHFFFAOYSA-N 1 0 415.537 4.189 50 0 HIAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)cc1 ZINC000058062453 558897470 /nfs/dbraw/zinc/89/74/70/558897470.db2.gz QOUPHGUIRHZAJC-UHFFFAOYSA-N 1 0 420.520 4.267 50 0 HIAARO CCOC(=O)C1C(C[NH2+]C(C)(C)CC(C)(C)C)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004689223 558899242 /nfs/dbraw/zinc/89/92/42/558899242.db2.gz VPEHNWSWTAQEKI-HXUWFJFHSA-N 1 0 415.578 4.279 50 0 HIAARO Cc1csc(-c2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)c(C)s2)n1 ZINC000033169456 558902793 /nfs/dbraw/zinc/90/27/93/558902793.db2.gz LLXAHCGFGOFXLB-UHFFFAOYSA-N 1 0 413.634 4.033 50 0 HIAARO Cn1cc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266026 558915647 /nfs/dbraw/zinc/91/56/47/558915647.db2.gz HEXSWHMYDFGHMM-LOSJGSFVSA-N 1 0 401.554 4.376 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254316 558918192 /nfs/dbraw/zinc/91/81/92/558918192.db2.gz PACFSGXXSHJBTL-UHFFFAOYSA-N 1 0 402.498 4.008 50 0 HIAARO COc1ccc(-n2cc(C[N@H+](C)CCc3cn[nH]c3)c(-c3cccc(F)c3)n2)cc1 ZINC000019595621 558946053 /nfs/dbraw/zinc/94/60/53/558946053.db2.gz WUGWZYQEZDDQNV-UHFFFAOYSA-N 1 0 405.477 4.085 50 0 HIAARO COC(=O)CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000097032749 558988207 /nfs/dbraw/zinc/98/82/07/558988207.db2.gz WTTOYYSJAAZIOS-UHFFFAOYSA-N 1 0 424.257 4.012 50 0 HIAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000077375220 559002603 /nfs/dbraw/zinc/00/26/03/559002603.db2.gz PWDPXRMIFYUDJB-NRFANRHFSA-N 1 0 419.978 4.240 50 0 HIAARO O=C(c1ccccc1C[NH+]1CCC2(CC1)OCCO2)c1ccccc1C(F)(F)F ZINC000085651590 559057262 /nfs/dbraw/zinc/05/72/62/559057262.db2.gz XHEJIUAXSNMSRU-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO Cc1ccc(C)c([C@@H](NC(=O)C2CC[NH+](Cc3ccco3)CC2)c2cccnc2)c1 ZINC000095374953 559080415 /nfs/dbraw/zinc/08/04/15/559080415.db2.gz KTMIXVPZZQRYRH-DEOSSOPVSA-N 1 0 403.526 4.409 50 0 HIAARO O=C(NCc1ccon1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095517557 559084748 /nfs/dbraw/zinc/08/47/48/559084748.db2.gz BCQPMMNBFTWUKE-UHFFFAOYSA-N 1 0 403.910 4.044 50 0 HIAARO c1nn2cc(-c3ccc(N4CC[NH2+]CC4)cc3)cnc2c1-c1cccc2ncccc21 ZINC000096173500 559101092 /nfs/dbraw/zinc/10/10/92/559101092.db2.gz BBDGBGOVJPEFBT-UHFFFAOYSA-N 1 0 406.493 4.021 50 0 in-vitro HIAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000011614670 559114483 /nfs/dbraw/zinc/11/44/83/559114483.db2.gz DCJNZLPWSGTQTE-GOSISDBHSA-N 1 0 417.292 4.207 50 0 HIAARO CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000098074327 559126779 /nfs/dbraw/zinc/12/67/79/559126779.db2.gz FYFQWMUFYKBVCE-ZEQRLZLVSA-N 1 0 408.567 4.241 50 0 HIAARO CCCN(C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000072305985 559146896 /nfs/dbraw/zinc/14/68/96/559146896.db2.gz KCTUDDRADGFOCX-FGZHOGPDSA-N 1 0 416.610 4.276 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000004863080 559193324 /nfs/dbraw/zinc/19/33/24/559193324.db2.gz OBUYOBUCXVACGO-OAHLLOKOSA-N 1 0 418.360 4.476 50 0 HIAARO COc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1 ZINC000004961497 559217605 /nfs/dbraw/zinc/21/76/05/559217605.db2.gz DRSUDHLYCWGBSP-UHFFFAOYSA-N 1 0 404.514 4.217 50 0 HIAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]CCCOC(C)C ZINC000004992310 559224885 /nfs/dbraw/zinc/22/48/85/559224885.db2.gz VFXKFIACFQZVQR-VXKWHMMOSA-N 1 0 416.949 4.216 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000005091577 559243782 /nfs/dbraw/zinc/24/37/82/559243782.db2.gz IJZHINJXZWCPJF-KRWDZBQOSA-N 1 0 416.319 4.398 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093785 559244470 /nfs/dbraw/zinc/24/44/70/559244470.db2.gz LOIDELWTKCBCMX-OAQYLSRUSA-N 1 0 407.514 4.059 50 0 HIAARO Cc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)nc2c(C)c1 ZINC000005107355 559246175 /nfs/dbraw/zinc/24/61/75/559246175.db2.gz XXJNZRSVXUFNCF-UHFFFAOYSA-N 1 0 414.619 4.122 50 0 HIAARO Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccccc1Cl ZINC000100735058 559260769 /nfs/dbraw/zinc/26/07/69/559260769.db2.gz AMUMQYGPZWXRAT-TZIWHRDSSA-N 1 0 401.853 4.123 50 0 HIAARO O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426536587 559274660 /nfs/dbraw/zinc/27/46/60/559274660.db2.gz YSBCQSHPPJFRAO-AREMUKBSSA-N 1 0 414.553 4.248 50 0 HIAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCC(C)CC2)n3C)cc1 ZINC000005343017 560567993 /nfs/dbraw/zinc/56/79/93/560567993.db2.gz SYOPDKTXZWMSLB-UHFFFAOYSA-N 1 0 406.530 4.109 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ncsc4c3)nc21 ZINC000005115577 560623485 /nfs/dbraw/zinc/62/34/85/560623485.db2.gz NKRCQHRLHFEVSA-UHFFFAOYSA-N 1 0 412.540 4.123 50 0 HIAARO COc1ccc(OC)c(N2C(=O)c3ccccc3C(=CNc3cc(C)ccn3)C2=O)c1 ZINC000101240668 560789566 /nfs/dbraw/zinc/78/95/66/560789566.db2.gz UVUMPCVPKJVZIG-XMHGGMMESA-N 1 0 415.449 4.047 50 0 HIAARO CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107076438 560895234 /nfs/dbraw/zinc/89/52/34/560895234.db2.gz JVNZEMYXBWEJSX-UTKZUKDTSA-N 1 0 424.545 4.343 50 0 HIAARO O=C(c1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)N1CCCC[C@H]1CCO ZINC000108157416 560898148 /nfs/dbraw/zinc/89/81/48/560898148.db2.gz OHEWWTSYTUCAFM-DQEYMECFSA-N 1 0 421.585 4.140 50 0 HIAARO Cn1c2ccccc2c(Br)c1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000048234531 568432564 /nfs/dbraw/zinc/43/25/64/568432564.db2.gz GKDZMPZWPDJERL-UHFFFAOYSA-N 1 0 406.368 4.325 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000006607680 568456452 /nfs/dbraw/zinc/45/64/52/568456452.db2.gz KLVVMAHWCRBLIX-UHFFFAOYSA-N 1 0 424.932 4.212 50 0 HIAARO CCOc1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)C(C)C)cc1OCC ZINC000024778791 568462975 /nfs/dbraw/zinc/46/29/75/568462975.db2.gz WRZZITLSDLSMGH-QFIPXVFZSA-N 1 0 408.502 4.192 50 0 HIAARO CCOc1ccc(C(=O)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)cc1 ZINC000020108660 568588512 /nfs/dbraw/zinc/58/85/12/568588512.db2.gz VWUPFHKUHIFYQK-UHFFFAOYSA-N 1 0 418.541 4.336 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCCC[C@@H]4C)ccc3n2)CC1 ZINC000020153504 568590895 /nfs/dbraw/zinc/59/08/95/568590895.db2.gz JQIDGATUMQFYFX-SFHVURJKSA-N 1 0 411.619 4.256 50 0 HIAARO Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CC[NH+](C)CC3)cc1 ZINC000020436087 568607247 /nfs/dbraw/zinc/60/72/47/568607247.db2.gz FGUCLSWHWAXSCP-UHFFFAOYSA-N 1 0 411.958 4.343 50 0 HIAARO CC(C)[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccccc1)=N2 ZINC000020436158 568607254 /nfs/dbraw/zinc/60/72/54/568607254.db2.gz UJGLZNNOZCVJSP-UHFFFAOYSA-N 1 0 420.582 4.460 50 0 HIAARO Cc1nc(COc2ccc(CN3CCC[N@H+](CCCc4ccccc4)CC3)cc2)no1 ZINC000095453828 568615912 /nfs/dbraw/zinc/61/59/12/568615912.db2.gz LQKCPQLNXDUKBF-UHFFFAOYSA-N 1 0 420.557 4.098 50 0 HIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000095461571 568620884 /nfs/dbraw/zinc/62/08/84/568620884.db2.gz JTRPZPKVTGCZQP-LPHOPBHVSA-N 1 0 416.484 4.372 50 0 HIAARO C[N@H+](CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1)C1CCCCC1 ZINC000020980706 568654428 /nfs/dbraw/zinc/65/44/28/568654428.db2.gz PHCLWEOJIIEJBC-UHFFFAOYSA-N 1 0 423.536 4.187 50 0 HIAARO CCN(C(=O)Nc1cc(OC)ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095942613 568662417 /nfs/dbraw/zinc/66/24/17/568662417.db2.gz MARUBFGRXUGEOV-QGZVFWFLSA-N 1 0 419.472 4.425 50 0 HIAARO CCC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000229746838 568715236 /nfs/dbraw/zinc/71/52/36/568715236.db2.gz SVAXMYVZZXPGMK-LEWJYISDSA-N 1 0 404.551 4.092 50 0 HIAARO CCOC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c(F)cc1C ZINC000241231246 568731039 /nfs/dbraw/zinc/73/10/39/568731039.db2.gz KTHUVEIWCLUBDE-UHFFFAOYSA-N 1 0 416.518 4.112 50 0 HIAARO COCCC[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000247846108 568745845 /nfs/dbraw/zinc/74/58/45/568745845.db2.gz MSDJIIDZGLBKDN-UHFFFAOYSA-N 1 0 405.329 4.426 50 0 HIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2cccc(O)c2n1 ZINC000021717229 568749948 /nfs/dbraw/zinc/74/99/48/568749948.db2.gz KPURRWHXYPWABA-UHFFFAOYSA-N 1 0 409.917 4.236 50 0 HIAARO Cc1cccc(NC(=O)C2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000097020417 568766311 /nfs/dbraw/zinc/76/63/11/568766311.db2.gz FQGWOZMACQGXFA-UHFFFAOYSA-N 1 0 407.436 4.182 50 0 HIAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000230018128 568801800 /nfs/dbraw/zinc/80/18/00/568801800.db2.gz BZSOVIRLFSQJNR-SIKLNZKXSA-N 1 0 403.526 4.094 50 0 HIAARO CC1(C)CC(NC(=O)c2cc(Br)ccc2OC(F)F)CC(C)(C)[NH2+]1 ZINC000002791378 568809872 /nfs/dbraw/zinc/80/98/72/568809872.db2.gz KYOXRKNBYYDFBI-UHFFFAOYSA-N 1 0 405.283 4.090 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002890323 568815122 /nfs/dbraw/zinc/81/51/22/568815122.db2.gz FHHQNKSSPXALSW-IBGZPJMESA-N 1 0 414.864 4.082 50 0 HIAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764168 568815175 /nfs/dbraw/zinc/81/51/75/568815175.db2.gz NAZQDAULPPVEST-JOCHJYFZSA-N 1 0 406.574 4.363 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491654 568820135 /nfs/dbraw/zinc/82/01/35/568820135.db2.gz BIESIXOYFYFWOF-NRFANRHFSA-N 1 0 409.965 4.221 50 0 HIAARO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427867 568835890 /nfs/dbraw/zinc/83/58/90/568835890.db2.gz NIAUJXSJTSJESE-UHFFFAOYSA-N 1 0 406.530 4.089 50 0 HIAARO CCC[NH+](CCC)CCCNC(=O)c1cnn2c1nc(C)c(Cc1ccccc1)c2C ZINC000003041014 568847850 /nfs/dbraw/zinc/84/78/50/568847850.db2.gz OEIOIEZGGJGTEU-UHFFFAOYSA-N 1 0 421.589 4.179 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccccc1 ZINC000012546151 568850622 /nfs/dbraw/zinc/85/06/22/568850622.db2.gz IHNZYUDJVJJLKU-HSZRJFAPSA-N 1 0 419.525 4.452 50 0 HIAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000057568083 568854064 /nfs/dbraw/zinc/85/40/64/568854064.db2.gz ONMLBYSHJDAXBN-QGZVFWFLSA-N 1 0 403.482 4.237 50 0 HIAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 ZINC000003605642 568863871 /nfs/dbraw/zinc/86/38/71/568863871.db2.gz UBLUEUABDPLFFG-UHFFFAOYSA-N 1 0 417.947 4.176 50 0 HIAARO Cc1cccc(C)c1[N+]1=C2SCCCN2C[C@@]1(O)c1ccc(OC(F)F)cc1 ZINC000003228768 568864676 /nfs/dbraw/zinc/86/46/76/568864676.db2.gz VNSKYZYMWPESQO-OAQYLSRUSA-N 1 0 405.490 4.076 50 0 HIAARO CCOCCC[NH2+]C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000299792295 568876031 /nfs/dbraw/zinc/87/60/31/568876031.db2.gz FMLYGZOMZYMENC-HXUWFJFHSA-N 1 0 409.574 4.163 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(OC)c(F)c3)cc2C)CC1 ZINC000058099414 568885593 /nfs/dbraw/zinc/88/55/93/568885593.db2.gz ZTLODAJJPZGBHY-QGZVFWFLSA-N 1 0 414.525 4.167 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)[NH+]2CCCC2)cc1 ZINC000003414387 568898872 /nfs/dbraw/zinc/89/88/72/568898872.db2.gz USTUSJNQXMDPNX-DEOSSOPVSA-N 1 0 418.541 4.065 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)[NH+]2CCCC2)cc1 ZINC000003414392 568898939 /nfs/dbraw/zinc/89/89/39/568898939.db2.gz USTUSJNQXMDPNX-XMMPIXPASA-N 1 0 418.541 4.065 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC000003422562 568900154 /nfs/dbraw/zinc/90/01/54/568900154.db2.gz RGDNNHVBAWSEKK-IBGZPJMESA-N 1 0 403.320 4.025 50 0 HIAARO O=C(COc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001269932 568909496 /nfs/dbraw/zinc/90/94/96/568909496.db2.gz IHJOTHJKHOYPAW-HXUWFJFHSA-N 1 0 405.325 4.500 50 0 HIAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000004041481 568935919 /nfs/dbraw/zinc/93/59/19/568935919.db2.gz IZIOHWSZNUHKRR-LZLYRXPVSA-N 1 0 419.780 4.394 50 0 biogenic HIAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCc2cccnc2)CC1 ZINC000004057455 568936763 /nfs/dbraw/zinc/93/67/63/568936763.db2.gz MPUJGUBVVWMHIQ-UHFFFAOYSA-N 1 0 424.932 4.227 50 0 HIAARO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084625063 568953471 /nfs/dbraw/zinc/95/34/71/568953471.db2.gz QWEWYNXLTAPPOO-JOCHJYFZSA-N 1 0 420.550 4.278 50 0 HIAARO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008013038 568968373 /nfs/dbraw/zinc/96/83/73/568968373.db2.gz NXWMZJIEKIIETK-UHFFFAOYSA-N 1 0 424.932 4.235 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2ccc(COc3ccccc3)cc2)[NH+](C)C)c1 ZINC000008036701 568969999 /nfs/dbraw/zinc/96/99/99/568969999.db2.gz SJBRMFJEIJNRRF-DEOSSOPVSA-N 1 0 404.510 4.307 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000008345464 568994481 /nfs/dbraw/zinc/99/44/81/568994481.db2.gz XFYTYUXTEZXNGI-XDHUDOTRSA-N 1 0 406.526 4.380 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008388634 568996369 /nfs/dbraw/zinc/99/63/69/568996369.db2.gz GWSCDZFCAAIFIF-HXUWFJFHSA-N 1 0 407.518 4.050 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649687 569005716 /nfs/dbraw/zinc/00/57/16/569005716.db2.gz FNTUWSJRLSWJTP-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000012877650 569013966 /nfs/dbraw/zinc/01/39/66/569013966.db2.gz MQJFIJWKYSWBOQ-NQIIRXRSSA-N 1 0 419.447 4.280 50 0 HIAARO O[C@@H](c1ccccc1)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000012892553 569020164 /nfs/dbraw/zinc/02/01/64/569020164.db2.gz PJCRBDSQOQMWGE-RXVVDRJESA-N 1 0 410.341 4.179 50 0 HIAARO CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000012897288 569020364 /nfs/dbraw/zinc/02/03/64/569020364.db2.gz CCDYNTCBFCDFSP-UHFFFAOYSA-N 1 0 422.550 4.096 50 0 HIAARO CCc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012916919 569022399 /nfs/dbraw/zinc/02/23/99/569022399.db2.gz GVDXTJJCTPGKMM-SZNDQCEHSA-N 1 0 420.538 4.186 50 0 HIAARO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012943763 569028885 /nfs/dbraw/zinc/02/88/85/569028885.db2.gz MUVJOFMXOUBFPX-LJQANCHMSA-N 1 0 407.558 4.281 50 0 HIAARO Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)c1 ZINC000035372597 569033874 /nfs/dbraw/zinc/03/38/74/569033874.db2.gz XQOXRXMTTCYBIO-UHFFFAOYSA-N 1 0 420.582 4.298 50 0 HIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC000241144858 569054701 /nfs/dbraw/zinc/05/47/01/569054701.db2.gz JTRPZPKVTGCZQP-QFBILLFUSA-N 1 0 416.484 4.372 50 0 HIAARO CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871491 569064076 /nfs/dbraw/zinc/06/40/76/569064076.db2.gz MXXYEPYUERUDMJ-NYSBEXSLSA-N 1 0 423.523 4.226 50 0 HIAARO C[C@@H]1CCc2sc3ncnc(N4CC[NH+](CCOc5ccccc5)CC4)c3c2C1 ZINC000054290467 569070043 /nfs/dbraw/zinc/07/00/43/569070043.db2.gz UQXGUIMXCROXEY-QGZVFWFLSA-N 1 0 408.571 4.017 50 0 HIAARO Cc1coc2c1cc1c(C)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc1c2C ZINC000006623686 569075285 /nfs/dbraw/zinc/07/52/85/569075285.db2.gz FCCMBPQHUNVGSY-UHFFFAOYSA-N 1 0 424.541 4.432 50 0 biogenic HIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095758 569090099 /nfs/dbraw/zinc/09/00/99/569090099.db2.gz JDTYBGMLYBSYNJ-XMMPIXPASA-N 1 0 421.537 4.284 50 0 HIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)c1OC ZINC000036097302 569090307 /nfs/dbraw/zinc/09/03/07/569090307.db2.gz ALYZNTDKURYIGJ-OAQYLSRUSA-N 1 0 401.547 4.300 50 0 HIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103486 569092096 /nfs/dbraw/zinc/09/20/96/569092096.db2.gz JHAXHMIDUVXTQT-IBGZPJMESA-N 1 0 411.523 4.227 50 0 HIAARO CC(C)Cn1cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC000006724983 569100861 /nfs/dbraw/zinc/10/08/61/569100861.db2.gz MUZBTNPHQHHLIW-UHFFFAOYSA-N 1 0 412.578 4.434 50 0 HIAARO COc1ccc(-c2noc(-c3ccc(NCC[C@@H](C)[NH+]4CCCCCC4)nn3)n2)cc1 ZINC000064838082 569106197 /nfs/dbraw/zinc/10/61/97/569106197.db2.gz YYNPGCIPOJZQDT-QGZVFWFLSA-N 1 0 422.533 4.269 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000006771919 569117251 /nfs/dbraw/zinc/11/72/51/569117251.db2.gz JLBPNQLAUPVKEZ-INIZCTEOSA-N 1 0 411.571 4.138 50 0 HIAARO CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249912 569119143 /nfs/dbraw/zinc/11/91/43/569119143.db2.gz IOPSWJJAAVNASF-NRFANRHFSA-N 1 0 417.594 4.432 50 0 HIAARO COc1cccc(C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000169679006 569126519 /nfs/dbraw/zinc/12/65/19/569126519.db2.gz PEQQXODKAOKJSP-AZGAKELHSA-N 1 0 416.521 4.424 50 0 HIAARO O=C(CCc1ccccc1)NC1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000064952541 569133291 /nfs/dbraw/zinc/13/32/91/569133291.db2.gz NZIVXHDGEKSPBL-UHFFFAOYSA-N 1 0 402.538 4.432 50 0 HIAARO COc1c(Br)cc(C[NH2+][C@H](C)c2cnn(C)c2C)cc1Br ZINC000036325306 569137376 /nfs/dbraw/zinc/13/73/76/569137376.db2.gz ROKLRDCMEMPVSB-SECBINFHSA-N 1 0 417.145 4.113 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344911 569142861 /nfs/dbraw/zinc/14/28/61/569142861.db2.gz AGMUOOOWPSQNBF-DEOSSOPVSA-N 1 0 405.542 4.413 50 0 HIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025595 569156403 /nfs/dbraw/zinc/15/64/03/569156403.db2.gz NPPRWKIUBKXDLY-UHFFFAOYSA-N 1 0 421.589 4.494 50 0 HIAARO CCCOc1ccc(CN(CCC[NH+](C)C)C(=S)NC2CCCCC2)cc1OC ZINC000006871549 569161980 /nfs/dbraw/zinc/16/19/80/569161980.db2.gz LXWLMWGRGOFCGR-UHFFFAOYSA-N 1 0 421.651 4.445 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036432714 569182404 /nfs/dbraw/zinc/18/24/04/569182404.db2.gz LFCMDTGUBDFYED-BZSNNMDCSA-N 1 0 409.530 4.252 50 0 HIAARO Cc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 ZINC000065256970 569208559 /nfs/dbraw/zinc/20/85/59/569208559.db2.gz ABXJDKOPZRUSGL-QFIPXVFZSA-N 1 0 404.489 4.150 50 0 HIAARO C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccccc4)c32)CC1 ZINC000036618490 569210124 /nfs/dbraw/zinc/21/01/24/569210124.db2.gz XPSRZTNHSMTAKW-UHFFFAOYSA-N 1 0 412.493 4.381 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000170613535 569246868 /nfs/dbraw/zinc/24/68/68/569246868.db2.gz IFBCSZDQJPTZEC-GMAHTHKFSA-N 1 0 416.521 4.454 50 0 HIAARO Cc1noc2nc(-c3cccs3)cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c12 ZINC000014047950 569258490 /nfs/dbraw/zinc/25/84/90/569258490.db2.gz MXLQDHVELRIUNX-QGZVFWFLSA-N 1 0 422.510 4.420 50 0 HIAARO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000027217463 569288919 /nfs/dbraw/zinc/28/89/19/569288919.db2.gz DLPOYMHPYYHGPS-UHFFFAOYSA-N 1 0 417.962 4.413 50 0 HIAARO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252517092 569292252 /nfs/dbraw/zinc/29/22/52/569292252.db2.gz ZMFPORHBLOOTLD-RBUKOAKNSA-N 1 0 405.464 4.310 50 0 HIAARO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027295599 569293028 /nfs/dbraw/zinc/29/30/28/569293028.db2.gz CZVJFJUCFFCURW-UHFFFAOYSA-N 1 0 415.253 4.373 50 0 HIAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248043970 569316070 /nfs/dbraw/zinc/31/60/70/569316070.db2.gz UMSCLUYUTVOITQ-QHCPKHFHSA-N 1 0 415.541 4.026 50 0 HIAARO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000253432330 569370000 /nfs/dbraw/zinc/37/00/00/569370000.db2.gz JSHUHAYLBSQXGH-OAHLLOKOSA-N 1 0 402.317 4.081 50 0 HIAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)CC3 ZINC000002304862 569372279 /nfs/dbraw/zinc/37/22/79/569372279.db2.gz BSDJWOQBHCGSAB-UHFFFAOYSA-N 1 0 401.554 4.316 50 0 HIAARO CC(C)Sc1nc2sc3c(c2c2nnc(SCC[NH+](C)C)n21)CCCC3 ZINC000002404771 569395991 /nfs/dbraw/zinc/39/59/91/569395991.db2.gz MSEZUYBIBCCWSC-UHFFFAOYSA-N 1 0 407.634 4.372 50 0 HIAARO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1F ZINC000078698500 569417542 /nfs/dbraw/zinc/41/75/42/569417542.db2.gz NBWJOXDVMNWZCZ-UHFFFAOYSA-N 1 0 408.315 4.492 50 0 HIAARO CCC[C@H]1CN(Cc2cccc(NC(C)=O)c2)CC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000079058946 569426178 /nfs/dbraw/zinc/42/61/78/569426178.db2.gz NTBZHLWTPXRUHV-VWLOTQADSA-N 1 0 422.573 4.090 50 0 HIAARO c1ccc(-c2nnn3c2nc(N2CCC([NH+]4CCCCC4)CC2)c2ccccc23)cc1 ZINC000067263301 571061795 /nfs/dbraw/zinc/06/17/95/571061795.db2.gz WSVPAQOLAKESTN-UHFFFAOYSA-N 1 0 412.541 4.399 50 0 HIAARO Cc1cc(C)c2c(N)c(C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)sc2n1 ZINC000039231653 571122835 /nfs/dbraw/zinc/12/28/35/571122835.db2.gz KYNBPQYCEWNPMN-UHFFFAOYSA-N 1 0 424.614 4.078 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2C)[NH+]2CCCCC2)cc1 ZINC000008867647 571129413 /nfs/dbraw/zinc/12/94/13/571129413.db2.gz GONPFYRIGJOQIL-NRFANRHFSA-N 1 0 416.949 4.379 50 0 HIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000040104527 571165506 /nfs/dbraw/zinc/16/55/06/571165506.db2.gz TUZYECDEBHEGDK-UHFFFAOYSA-N 1 0 410.562 4.070 50 0 HIAARO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc21 ZINC000245327981 571225365 /nfs/dbraw/zinc/22/53/65/571225365.db2.gz MHNOAWVWPPNNEH-VQTJNVASSA-N 1 0 408.590 4.465 50 0 HIAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)cc2)C1 ZINC000009151113 571230242 /nfs/dbraw/zinc/23/02/42/571230242.db2.gz CHGIGZCILCCERS-UHFFFAOYSA-N 1 0 410.543 4.247 50 0 HIAARO Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942304 571291196 /nfs/dbraw/zinc/29/11/96/571291196.db2.gz ZYMUYHQOJKHPGM-UHFFFAOYSA-N 1 0 406.530 4.275 50 0 HIAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009958797 571291778 /nfs/dbraw/zinc/29/17/78/571291778.db2.gz JQTBIJGCPLLGLO-UHFFFAOYSA-N 1 0 406.530 4.450 50 0 HIAARO CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000010214329 571296802 /nfs/dbraw/zinc/29/68/02/571296802.db2.gz JIJTUQIKVSUPFK-QFIPXVFZSA-N 1 0 421.541 4.449 50 0 HIAARO COc1cc2c(Cc3ccc4c(c3)OCO4)ncc([C@@H]3CCC[N@@H+]3C)c2cc1OC ZINC000005140820 845084149 /nfs/dbraw/zinc/08/41/49/845084149.db2.gz XISGRFQSYRKPNQ-FQEVSTJZSA-N 1 0 406.482 4.338 50 0 HIAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000011842658 845838244 /nfs/dbraw/zinc/83/82/44/845838244.db2.gz UZQVVBJWSJYGHH-XMMPIXPASA-N 1 0 406.505 4.364 50 0 HIAARO COc1cccc(C[NH2+][C@@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)c1OC ZINC000011871405 845839141 /nfs/dbraw/zinc/83/91/41/845839141.db2.gz XLZLNNKUGHYIAU-LJQANCHMSA-N 1 0 424.520 4.243 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000011935932 845842214 /nfs/dbraw/zinc/84/22/14/845842214.db2.gz VZMARWKGSCRKOZ-HXUWFJFHSA-N 1 0 404.514 4.326 50 0 HIAARO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000012075911 845851860 /nfs/dbraw/zinc/85/18/60/845851860.db2.gz IJPITXYTHVZKBY-FQEVSTJZSA-N 1 0 422.569 4.493 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccnc(Cl)c1 ZINC000012073746 845851906 /nfs/dbraw/zinc/85/19/06/845851906.db2.gz POXXOTOILBRWDS-UHFFFAOYSA-N 1 0 406.357 4.415 50 0 HIAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCCCCC2)c1 ZINC000012074601 845852178 /nfs/dbraw/zinc/85/21/78/845852178.db2.gz POUHBBBYYFCYGD-UHFFFAOYSA-N 1 0 400.563 4.497 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c21 ZINC000012190538 845858604 /nfs/dbraw/zinc/85/86/04/845858604.db2.gz ROYZANFQXVTZLG-QGZVFWFLSA-N 1 0 415.607 4.301 50 0 HIAARO CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000012191981 845858697 /nfs/dbraw/zinc/85/86/97/845858697.db2.gz TVDMINIAUNURBV-QHCPKHFHSA-N 1 0 422.569 4.055 50 0 HIAARO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c2ccccc2n1 ZINC000012314117 845866844 /nfs/dbraw/zinc/86/68/44/845866844.db2.gz MAQPWSDINPGCLT-FQEVSTJZSA-N 1 0 403.526 4.023 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccccc1N(C)C ZINC000012308537 845867268 /nfs/dbraw/zinc/86/72/68/845867268.db2.gz SNAMSBKDEHKKQT-OAQYLSRUSA-N 1 0 411.565 4.309 50 0 HIAARO O=C(c1cn(C2CCCCC2)nn1)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000012373460 845868262 /nfs/dbraw/zinc/86/82/62/845868262.db2.gz FMEWSCOOVWHKJX-VWLOTQADSA-N 1 0 421.589 4.302 50 0 HIAARO CCCn1ncc(C[N@@H+]2CCC[C@](Cc3ccccc3F)(C(=O)OCC)C2)c1C ZINC000012476277 845874381 /nfs/dbraw/zinc/87/43/81/845874381.db2.gz MOEABHZUVNVTAE-HSZRJFAPSA-N 1 0 401.526 4.129 50 0 HIAARO CCCn1ncc(C[N@@H+]2CCC[C@@](Cc3ccccc3F)(C(=O)OCC)C2)c1C ZINC000012476273 845874694 /nfs/dbraw/zinc/87/46/94/845874694.db2.gz MOEABHZUVNVTAE-QHCPKHFHSA-N 1 0 401.526 4.129 50 0 HIAARO COCCOC1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)CC1 ZINC000012718629 845886143 /nfs/dbraw/zinc/88/61/43/845886143.db2.gz HCZJJOQNPSYVMJ-UHFFFAOYSA-N 1 0 413.493 4.207 50 0 HIAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3ccc(OC(F)F)cc3)[N@H+]3CCC[C@@]123 ZINC000012756462 845889131 /nfs/dbraw/zinc/88/91/31/845889131.db2.gz BPVOOOQPFNOEJP-PTLVVNQVSA-N 1 0 412.480 4.269 50 0 HIAARO COc1cccc2c1OCCC[N@@H+]([C@@H]1CCC(=O)N(Cc3cccc(C)c3)CC1)C2 ZINC000014993086 845996986 /nfs/dbraw/zinc/99/69/86/845996986.db2.gz MXAFASFPWHEKOP-JOCHJYFZSA-N 1 0 408.542 4.169 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000015074806 846006739 /nfs/dbraw/zinc/00/67/39/846006739.db2.gz ZRQWDPPBQFMESA-SFHVURJKSA-N 1 0 404.514 4.059 50 0 HIAARO OCCOc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 ZINC000019782305 846373129 /nfs/dbraw/zinc/37/31/29/846373129.db2.gz VDEKISZROHEIER-LJQANCHMSA-N 1 0 411.933 4.481 50 0 HIAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3cnc(-c4ccccc4C)nc3)C2)c1 ZINC000020514144 846384351 /nfs/dbraw/zinc/38/43/51/846384351.db2.gz DEQSNKXZZMZHKK-QFIPXVFZSA-N 1 0 402.542 4.215 50 0 HIAARO O=C1CC[N@@H+](Cc2ccc3ncccc3c2)CCN1Cc1ccccc1C(F)(F)F ZINC000020601019 846384382 /nfs/dbraw/zinc/38/43/82/846384382.db2.gz GPAMJUDDSQSVOD-UHFFFAOYSA-N 1 0 413.443 4.488 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2ccccc2)CN1Cc1ccc(Cl)cc1 ZINC000023359731 846689082 /nfs/dbraw/zinc/68/90/82/846689082.db2.gz NPBIAPJNDDAQRF-YUPDPWAVSA-N 1 0 411.977 4.112 50 0 HIAARO Cc1nc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3cccs3)c2)cs1 ZINC000055108855 849972382 /nfs/dbraw/zinc/97/23/82/849972382.db2.gz GXAWNUYLNQUSKV-HNNXBMFYSA-N 1 0 415.584 4.342 50 0 HIAARO Cn1cc(C[N@@H+]2CCC[C@H](COc3ccccc3C(=O)NC3CC3)C2)c2ccccc21 ZINC000169775436 853662596 /nfs/dbraw/zinc/66/25/96/853662596.db2.gz BDQRNCXSAXUGHS-IBGZPJMESA-N 1 0 417.553 4.362 50 0 HIAARO O=C(Cc1ccsc1)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777138 853663639 /nfs/dbraw/zinc/66/36/39/853663639.db2.gz NSFJUDZKZANXPV-UHFFFAOYSA-N 1 0 418.562 4.270 50 0 HIAARO O=C(c1ccccc1)N1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257189829 854233560 /nfs/dbraw/zinc/23/35/60/854233560.db2.gz KBQPFJJMVUJIIH-DEOSSOPVSA-N 1 0 414.553 4.383 50 0 HIAARO Cc1nnc([C@@H]2CC3(CN2Cc2cccnc2)CC[NH+](CCc2ccccc2)CC3)o1 ZINC000257188595 854234111 /nfs/dbraw/zinc/23/41/11/854234111.db2.gz FUJXZBUKFVFSSS-QHCPKHFHSA-N 1 0 417.557 4.045 50 0 HIAARO CCOc1ccccc1C[NH+]1CCC(Cc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000257197029 854235750 /nfs/dbraw/zinc/23/57/50/854235750.db2.gz ZHZVSNZTKVPXNS-UHFFFAOYSA-N 1 0 422.569 4.012 50 0 HIAARO CCOc1ccc2nc(N3CCC([NH2+]Cc4nc(C)c(C)s4)CC3)nc(C)c2c1 ZINC000299787991 854282122 /nfs/dbraw/zinc/28/21/22/854282122.db2.gz VHFCTPONMAASHQ-UHFFFAOYSA-N 1 0 411.575 4.169 50 0 HIAARO Cc1c(C[N@@H+]2CC[C@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)cnn1C ZINC000575313490 948642993 /nfs/dbraw/zinc/64/29/93/948642993.db2.gz LBRXGLMKDJNSBV-QFIPXVFZSA-N 1 0 415.497 4.099 50 0 HIAARO CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(c2cccc(F)c2)[C@H]3c2ccccc2)cn1 ZINC000575317235 948644854 /nfs/dbraw/zinc/64/48/54/948644854.db2.gz GELPSZVPMFDYEC-QHCPKHFHSA-N 1 0 418.516 4.412 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000575547940 948676118 /nfs/dbraw/zinc/67/61/18/948676118.db2.gz APPWOIYBBZTTMD-SFHVURJKSA-N 1 0 424.570 4.101 50 0 HIAARO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CC[C@@H](c2nc(-c3cccn3C)no2)C1 ZINC000575551710 948676567 /nfs/dbraw/zinc/67/65/67/948676567.db2.gz FTLLJAMCYMPCKA-GOSISDBHSA-N 1 0 403.486 4.336 50 0 HIAARO COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]CCC(C)C)CC3)cc2)cc1 ZINC000011785851 132350556 /nfs/dbraw/zinc/35/05/56/132350556.db2.gz FOZOGWDPCIMHOW-UHFFFAOYSA-N 1 0 409.574 4.481 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)CC1 ZINC000011872696 132351649 /nfs/dbraw/zinc/35/16/49/132351649.db2.gz YPNBRLVEHTUEGR-UHFFFAOYSA-N 1 0 402.542 4.441 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nc4ccccc4s3)c(C)c2)CC1 ZINC000012608551 132365232 /nfs/dbraw/zinc/36/52/32/132365232.db2.gz RCGBITVTVGCBSL-UHFFFAOYSA-N 1 0 408.571 4.318 50 0 HIAARO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040742339 520714614 /nfs/dbraw/zinc/71/46/14/520714614.db2.gz NYEFETRRXYWTJT-UHFFFAOYSA-N 1 0 420.937 4.191 50 0 HIAARO CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)no2)cc1 ZINC000032622787 520805012 /nfs/dbraw/zinc/80/50/12/520805012.db2.gz AXMQPJLIUGPHQV-QFIPXVFZSA-N 1 0 405.498 4.307 50 0 HIAARO COc1cccc([C@H](CNC(=O)/C=C/c2ccc(OC(F)F)cc2)[NH+]2CCCC2)c1 ZINC000040160156 524158903 /nfs/dbraw/zinc/15/89/03/524158903.db2.gz XTHXIONLWBXZEE-ZRFOIIEFSA-N 1 0 416.468 4.263 50 0 HIAARO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1cccc(Cl)c1 ZINC000032763164 525624351 /nfs/dbraw/zinc/62/43/51/525624351.db2.gz CMJFPBZIEKIDBJ-LJQANCHMSA-N 1 0 414.962 4.463 50 0 HIAARO c1cc(-c2ccc(C[N@@H+]3CCCC34CCN(c3cnc5ccccc5n3)CC4)o2)n[nH]1 ZINC000072462980 526410228 /nfs/dbraw/zinc/41/02/28/526410228.db2.gz DOHFIEPQWFONSF-UHFFFAOYSA-N 1 0 414.513 4.248 50 0 HIAARO Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000032972173 526573235 /nfs/dbraw/zinc/57/32/35/526573235.db2.gz ZSTVEDYPIYUYAJ-SFHVURJKSA-N 1 0 413.518 4.346 50 0 HIAARO Cc1sc2nc(-c3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3)nc(N)c2c1C ZINC000040047681 526887213 /nfs/dbraw/zinc/88/72/13/526887213.db2.gz WUDKABKVXNEQPM-UHFFFAOYSA-N 1 0 423.586 4.163 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000032770816 527531259 /nfs/dbraw/zinc/53/12/59/527531259.db2.gz NIXOFKJDYFRDBI-UHFFFAOYSA-N 1 0 412.331 4.325 50 0 HIAARO OCC[NH2+]CCCNCc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040720892 527554162 /nfs/dbraw/zinc/55/41/62/527554162.db2.gz JPZUGIRZFQGNFK-UHFFFAOYSA-N 1 0 417.764 4.287 50 0 HIAARO O=C(C1CC[NH+](Cc2cccc3ccccc32)CC1)N(CCO)Cc1ccccc1 ZINC000000795491 557082732 /nfs/dbraw/zinc/08/27/32/557082732.db2.gz NDLWNKKQJCGALY-UHFFFAOYSA-N 1 0 402.538 4.073 50 0 HIAARO COc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCCCC3)cc1OC ZINC000001192052 557236769 /nfs/dbraw/zinc/23/67/69/557236769.db2.gz SBZDZZGIVVMZRR-UHFFFAOYSA-N 1 0 405.518 4.378 50 0 HIAARO O=C(NCc1cccc(F)c1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684074 557387042 /nfs/dbraw/zinc/38/70/42/557387042.db2.gz NFUYJZWFFOPUIY-UHFFFAOYSA-N 1 0 417.528 4.074 50 0 HIAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000004751982 557593043 /nfs/dbraw/zinc/59/30/43/557593043.db2.gz DRNOSUGALDCMNO-HSZRJFAPSA-N 1 0 416.562 4.247 50 0 HIAARO CCc1ccc2nc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)sc2c1 ZINC000004757408 557594929 /nfs/dbraw/zinc/59/49/29/557594929.db2.gz HRWVGFQJQXCGDO-QGZVFWFLSA-N 1 0 414.619 4.066 50 0 HIAARO COc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2cccc(C(F)(F)F)c2)cc1 ZINC000005720581 557670632 /nfs/dbraw/zinc/67/06/32/557670632.db2.gz ZZPNDNJCZIZKFC-OAQYLSRUSA-N 1 0 405.440 4.364 50 0 HIAARO Cn1cc(C2CC[NH+](C)CC2)c2cc(OS(=O)(=O)c3c(F)cccc3F)ccc21 ZINC000006718482 557716961 /nfs/dbraw/zinc/71/69/61/557716961.db2.gz LYHNZWIPSZUYDT-UHFFFAOYSA-N 1 0 420.481 4.033 50 0 in-vitro HIAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4cc5ccccc5cc4O)nc3c12 ZINC000006719970 557717068 /nfs/dbraw/zinc/71/70/68/557717068.db2.gz OVAVDQURQKMZQO-UHFFFAOYSA-N 1 0 414.513 4.173 50 0 HIAARO CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697209 557784071 /nfs/dbraw/zinc/78/40/71/557784071.db2.gz JMQWUYJMNWBOKX-VWLOTQADSA-N 1 0 417.553 4.102 50 0 HIAARO O=C(CCc1ccccc1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000019740611 558261320 /nfs/dbraw/zinc/26/13/20/558261320.db2.gz GBCZTPOWUUMVRY-VWLOTQADSA-N 1 0 400.522 4.371 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011838956 558285717 /nfs/dbraw/zinc/28/57/17/558285717.db2.gz YOFBFYBPYNVMEJ-GOSISDBHSA-N 1 0 408.973 4.367 50 0 HIAARO CCOc1cc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)ccc1OC ZINC000011873491 558291185 /nfs/dbraw/zinc/29/11/85/558291185.db2.gz AKIUPSWUJQEBEM-UHFFFAOYSA-N 1 0 414.550 4.112 50 0 HIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000011874030 558291610 /nfs/dbraw/zinc/29/16/10/558291610.db2.gz ZUTUGDJDAOFDPO-UHFFFAOYSA-N 1 0 411.542 4.406 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)cc2)c1 ZINC000011878964 558293266 /nfs/dbraw/zinc/29/32/66/558293266.db2.gz FULXUEOVMWMBQT-HXUWFJFHSA-N 1 0 420.509 4.298 50 0 HIAARO COc1ccc(C(=O)N(CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)o1 ZINC000011933417 558298134 /nfs/dbraw/zinc/29/81/34/558298134.db2.gz OBIHIPOTYNKMPE-UHFFFAOYSA-N 1 0 414.546 4.307 50 0 HIAARO CSCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012026063 558310237 /nfs/dbraw/zinc/31/02/37/558310237.db2.gz BXYXMWFVUDYNSN-QGZVFWFLSA-N 1 0 402.526 4.171 50 0 HIAARO CCOC(=O)C1(CCOC)CC[NH+]([C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012030991 558311077 /nfs/dbraw/zinc/31/10/77/558311077.db2.gz FOIAGZJGJOYZDI-MRXNPFEDSA-N 1 0 401.469 4.318 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1F ZINC000012037830 558312142 /nfs/dbraw/zinc/31/21/42/558312142.db2.gz YAEMTQWHWARAOW-MRXNPFEDSA-N 1 0 422.859 4.018 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012041629 558313140 /nfs/dbraw/zinc/31/31/40/558313140.db2.gz ZYWISEVIIYCQCS-QGZVFWFLSA-N 1 0 410.411 4.395 50 0 HIAARO OC[C@@]1(CCCc2ccccc2)CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012076221 558319899 /nfs/dbraw/zinc/31/98/99/558319899.db2.gz NEZALBHPXJDXRA-SANMLTNESA-N 1 0 407.602 4.143 50 0 HIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000012091107 558324216 /nfs/dbraw/zinc/32/42/16/558324216.db2.gz JUOXIBIGNNRSIU-JOCHJYFZSA-N 1 0 416.569 4.207 50 0 HIAARO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1C(C)C ZINC000020109763 558335069 /nfs/dbraw/zinc/33/50/69/558335069.db2.gz NEZIBQQKSDUWAM-OAQYLSRUSA-N 1 0 402.966 4.334 50 0 HIAARO CC[NH+](CC)CCN1Cc2c(C)c(C)sc2N(C(=O)c2ccc(OC)cc2)C1 ZINC000020218813 558348316 /nfs/dbraw/zinc/34/83/16/558348316.db2.gz JBGWRFIXWVWLAE-UHFFFAOYSA-N 1 0 401.576 4.135 50 0 HIAARO Cc1nc(C)c(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012194150 558348882 /nfs/dbraw/zinc/34/88/82/558348882.db2.gz QUAHAKDFMSVKNB-LJQANCHMSA-N 1 0 420.022 4.369 50 0 HIAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2C2CCCCC2)CC1)NCc1cccnc1 ZINC000012196393 558349517 /nfs/dbraw/zinc/34/95/17/558349517.db2.gz RNZZYVWZXWYZHM-UHFFFAOYSA-N 1 0 409.578 4.161 50 0 HIAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012199676 558350892 /nfs/dbraw/zinc/35/08/92/558350892.db2.gz PMRDECYHQXQNIK-SANMLTNESA-N 1 0 414.553 4.248 50 0 HIAARO CC(C)[N@@H+](Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@H]1CCC(=O)N1 ZINC000012209843 558353787 /nfs/dbraw/zinc/35/37/87/558353787.db2.gz BLNKQMHOOIWTBF-OAQYLSRUSA-N 1 0 418.541 4.368 50 0 HIAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000012303756 558373083 /nfs/dbraw/zinc/37/30/83/558373083.db2.gz RNWXKQJMVLUZJO-OAQYLSRUSA-N 1 0 403.526 4.368 50 0 HIAARO COc1cc(C[NH2+][C@H]2CN3CCC2CC3)ccc1OCc1c(F)cccc1Cl ZINC000020477245 558374469 /nfs/dbraw/zinc/37/44/69/558374469.db2.gz RTRSMTYIYSLLOY-FQEVSTJZSA-N 1 0 404.913 4.251 50 0 HIAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2CCCCCC2)c1 ZINC000012305890 558374737 /nfs/dbraw/zinc/37/47/37/558374737.db2.gz VLNUWCFJVNARGK-UHFFFAOYSA-N 1 0 407.558 4.450 50 0 HIAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012317561 558380775 /nfs/dbraw/zinc/38/07/75/558380775.db2.gz BBGQYRXGWFQZOH-UHFFFAOYSA-N 1 0 406.534 4.095 50 0 HIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+][C@@H](CC(C)C)C(N)=O ZINC000012373340 558390760 /nfs/dbraw/zinc/39/07/60/558390760.db2.gz ZROQAMNQFRFAFE-FQEVSTJZSA-N 1 0 412.484 4.116 50 0 HIAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012387488 558396347 /nfs/dbraw/zinc/39/63/47/558396347.db2.gz VNSHOZIZKFPSPS-HNNXBMFYSA-N 1 0 410.436 4.422 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCn2ccnc2C)c(F)c1 ZINC000012429432 558404178 /nfs/dbraw/zinc/40/41/78/558404178.db2.gz MQXXXYUMVMZQMF-UHFFFAOYSA-N 1 0 419.504 4.324 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000012434623 558408622 /nfs/dbraw/zinc/40/86/22/558408622.db2.gz MOELUZHLPAJFFC-HXUWFJFHSA-N 1 0 407.533 4.344 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(Oc3ccccc3F)CC2)c(OC)c1 ZINC000012446386 558414265 /nfs/dbraw/zinc/41/42/65/558414265.db2.gz HFOVCVINWCTJBK-UHFFFAOYSA-N 1 0 411.477 4.276 50 0 HIAARO c1cncc([C@@H]2CCCC[N@H+]2CCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000020841377 558417350 /nfs/dbraw/zinc/41/73/50/558417350.db2.gz NRESCKSPZJRFBF-SFHVURJKSA-N 1 0 418.570 4.383 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C(=O)CC(C)C)CC1 ZINC000012459739 558418834 /nfs/dbraw/zinc/41/88/34/558418834.db2.gz SIDKCWSKRGJYPR-UHFFFAOYSA-N 1 0 402.579 4.007 50 0 HIAARO Clc1ccccc1-c1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)o1 ZINC000020876090 558419165 /nfs/dbraw/zinc/41/91/65/558419165.db2.gz WODFQTKASZQNTD-UHFFFAOYSA-N 1 0 411.918 4.458 50 0 HIAARO CN(C(=O)/C=C/c1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012465795 558420436 /nfs/dbraw/zinc/42/04/36/558420436.db2.gz PASRBAWEDYJUOL-DRUFCSCSSA-N 1 0 417.578 4.400 50 0 HIAARO CN(C(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012476814 558422832 /nfs/dbraw/zinc/42/28/32/558422832.db2.gz OBAZFKGFCJDEJY-OAQYLSRUSA-N 1 0 401.510 4.045 50 0 HIAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012570667 558428649 /nfs/dbraw/zinc/42/86/49/558428649.db2.gz HTDAKFBSMFVGDN-VWLOTQADSA-N 1 0 409.526 4.286 50 0 HIAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000012589621 558435321 /nfs/dbraw/zinc/43/53/21/558435321.db2.gz MANWKCZDBJNIGP-UHFFFAOYSA-N 1 0 402.485 4.000 50 0 HIAARO CC(C)Oc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cc1CO ZINC000012593281 558436295 /nfs/dbraw/zinc/43/62/95/558436295.db2.gz BEKQEEIHMMLXBY-UHFFFAOYSA-N 1 0 417.977 4.437 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+]([C@@H](C)CCn2cccn2)CC1 ZINC000012612454 558438963 /nfs/dbraw/zinc/43/89/63/558438963.db2.gz DCJXDQFEKZGDHZ-SFHVURJKSA-N 1 0 403.954 4.203 50 0 HIAARO COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(Cc3ccccc3C)C(=O)[C@]23CCC[N@H+]13 ZINC000012613178 558439123 /nfs/dbraw/zinc/43/91/23/558439123.db2.gz SSKWTPCHHBIALR-KRGVZGDRSA-N 1 0 402.538 4.282 50 0 HIAARO COc1ccc(C(=O)NCc2cc(F)ccc2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012703408 558448515 /nfs/dbraw/zinc/44/85/15/558448515.db2.gz LMLODXVLIHVABQ-UHFFFAOYSA-N 1 0 414.521 4.324 50 0 HIAARO C[NH+](C)CCN(C(=O)CCOc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000004359189 558449491 /nfs/dbraw/zinc/44/94/91/558449491.db2.gz UVQZQMKWSCEEQQ-UHFFFAOYSA-N 1 0 403.935 4.313 50 0 HIAARO Cc1occc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012707592 558450495 /nfs/dbraw/zinc/45/04/95/558450495.db2.gz BVVGBWQAIRPYQZ-XMMPIXPASA-N 1 0 422.569 4.089 50 0 HIAARO COCCNC(=O)c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000012709755 558451923 /nfs/dbraw/zinc/45/19/23/558451923.db2.gz OWJNYUZJEOVVIG-UHFFFAOYSA-N 1 0 408.970 4.140 50 0 HIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012712102 558453355 /nfs/dbraw/zinc/45/33/55/558453355.db2.gz KEZBBIXDDVKHRC-QFIPXVFZSA-N 1 0 415.533 4.404 50 0 HIAARO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000012713225 558453847 /nfs/dbraw/zinc/45/38/47/558453847.db2.gz ZBJGCTYJRFUPGG-UHFFFAOYSA-N 1 0 410.514 4.113 50 0 HIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1OC ZINC000004359763 558457015 /nfs/dbraw/zinc/45/70/15/558457015.db2.gz VBGJIJIRMWMSKG-UHFFFAOYSA-N 1 0 417.506 4.051 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ccccc1 ZINC000012755707 558459992 /nfs/dbraw/zinc/45/99/92/558459992.db2.gz FKNNOEYULUJQSN-FQEVSTJZSA-N 1 0 400.563 4.331 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(F)cc2F)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022787091 558511334 /nfs/dbraw/zinc/51/13/34/558511334.db2.gz ZUUOCPAGEBCACI-CABCVRRESA-N 1 0 406.473 4.070 50 0 HIAARO Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)N(C)CC2 ZINC000013110723 558515392 /nfs/dbraw/zinc/51/53/92/558515392.db2.gz AWJNVDVMXBWHKB-JWQCQUIFSA-N 1 0 407.508 4.458 50 0 HIAARO CC[NH+]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860260 558517456 /nfs/dbraw/zinc/51/74/56/558517456.db2.gz DCAZNNZZFVUJFM-OAQYLSRUSA-N 1 0 423.384 4.098 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc3nonc3c2)CC1)NCc1cccc(Cl)c1 ZINC000023128747 558536631 /nfs/dbraw/zinc/53/66/31/558536631.db2.gz CRICJTXBUFYNRP-UHFFFAOYSA-N 1 0 412.921 4.185 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000004424503 558544018 /nfs/dbraw/zinc/54/40/18/558544018.db2.gz CBVZFLUXVZOPFP-INIZCTEOSA-N 1 0 418.360 4.476 50 0 HIAARO O=C(c1nc2sccn2c1C[N@@H+]1CC[C@@H](C2CCCCC2)C1)N1CCCCC1 ZINC000023338313 558549964 /nfs/dbraw/zinc/54/99/64/558549964.db2.gz ARWCCCZXYDWAAA-GOSISDBHSA-N 1 0 400.592 4.424 50 0 HIAARO COc1cc(C[NH2+]CCCCCO)cc(Br)c1OCc1ccccc1 ZINC000013726862 558584783 /nfs/dbraw/zinc/58/47/83/558584783.db2.gz YBXMWMZHUUDQIV-UHFFFAOYSA-N 1 0 408.336 4.289 50 0 HIAARO CCOc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccc(Cl)cc1 ZINC000013728105 558585327 /nfs/dbraw/zinc/58/53/27/558585327.db2.gz KYZPPCJWTFCOCA-UHFFFAOYSA-N 1 0 416.949 4.420 50 0 HIAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014123396 558622734 /nfs/dbraw/zinc/62/27/34/558622734.db2.gz BTGFKXZJXXXRIG-LLVKDONJSA-N 1 0 410.301 4.250 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(F)c1 ZINC000014183548 558629179 /nfs/dbraw/zinc/62/91/79/558629179.db2.gz SVOOXACVMGZXCY-LJQANCHMSA-N 1 0 411.502 4.172 50 0 HIAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014732707 558666001 /nfs/dbraw/zinc/66/60/01/558666001.db2.gz IBXWTQONJYQHEL-OAQYLSRUSA-N 1 0 419.569 4.327 50 0 HIAARO Cc1ccccc1C[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014744241 558668281 /nfs/dbraw/zinc/66/82/81/558668281.db2.gz ZNNDDISBXQOWBH-OAQYLSRUSA-N 1 0 408.590 4.121 50 0 HIAARO C[C@H](CC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C)c1ccccc1 ZINC000014753676 558671571 /nfs/dbraw/zinc/67/15/71/558671571.db2.gz WDGDABBXDOSWJO-HXUWFJFHSA-N 1 0 405.542 4.109 50 0 HIAARO CC(C)CC[NH2+][C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000014882392 558676402 /nfs/dbraw/zinc/67/64/02/558676402.db2.gz XTRWYWNPLPEVFJ-GOSISDBHSA-N 1 0 407.583 4.291 50 0 HIAARO CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000014949973 558680741 /nfs/dbraw/zinc/68/07/41/558680741.db2.gz LBJJSPIKWQBZRZ-GOSISDBHSA-N 1 0 414.546 4.168 50 0 HIAARO CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014951553 558681315 /nfs/dbraw/zinc/68/13/15/558681315.db2.gz PAMDDSIINGTGJC-XMMPIXPASA-N 1 0 415.537 4.204 50 0 HIAARO CCc1ccc(O[C@@H](C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000027747462 558681460 /nfs/dbraw/zinc/68/14/60/558681460.db2.gz NMFJSRKONTYLHB-YADARESESA-N 1 0 410.558 4.368 50 0 HIAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 ZINC000014965494 558685686 /nfs/dbraw/zinc/68/56/86/558685686.db2.gz DSTCPZYIPITDRA-RMKNXTFCSA-N 1 0 418.459 4.462 50 0 HIAARO CSC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000014971294 558687270 /nfs/dbraw/zinc/68/72/70/558687270.db2.gz JCSJEDAPJBUNSG-IBGZPJMESA-N 1 0 412.599 4.254 50 0 HIAARO Cc1cccc(-n2cc(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000014974718 558688754 /nfs/dbraw/zinc/68/87/54/558688754.db2.gz HNGLTBBVRDPYAL-QFIPXVFZSA-N 1 0 420.532 4.476 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1SC[C@@H]1CCCO1 ZINC000028092757 558691024 /nfs/dbraw/zinc/69/10/24/558691024.db2.gz IVWKCDHNBIEFSJ-NRFANRHFSA-N 1 0 410.583 4.484 50 0 HIAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028288719 558695515 /nfs/dbraw/zinc/69/55/15/558695515.db2.gz OVCZRMBIIQYWTC-NRFANRHFSA-N 1 0 410.558 4.325 50 0 HIAARO O=C(CC1CCCC1)N1CCC[C@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000014999195 558697023 /nfs/dbraw/zinc/69/70/23/558697023.db2.gz DFOACCXIBWFRGC-QFIPXVFZSA-N 1 0 416.631 4.433 50 0 HIAARO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000015000910 558697819 /nfs/dbraw/zinc/69/78/19/558697819.db2.gz ZLCMLCKMSDMXKD-IBGZPJMESA-N 1 0 422.554 4.216 50 0 HIAARO Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015063881 558706397 /nfs/dbraw/zinc/70/63/97/558706397.db2.gz ILJDAMXHMCULGG-HXUWFJFHSA-N 1 0 412.965 4.467 50 0 HIAARO Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)c2)n1 ZINC000015063769 558706457 /nfs/dbraw/zinc/70/64/57/558706457.db2.gz NKUARYVOLNUZFH-RUZDIDTESA-N 1 0 416.569 4.268 50 0 HIAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000015071569 558713174 /nfs/dbraw/zinc/71/31/74/558713174.db2.gz SVQRUOSQARNXQJ-UHFFFAOYSA-N 1 0 418.585 4.461 50 0 HIAARO CCC(CC)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccccc2F)C3=O)CC1 ZINC000015072097 558713514 /nfs/dbraw/zinc/71/35/14/558713514.db2.gz VJTUOEMXDASJAU-UHFFFAOYSA-N 1 0 423.532 4.180 50 0 HIAARO Clc1cccc(-c2noc(CN3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)c1 ZINC000015073894 558714786 /nfs/dbraw/zinc/71/47/86/558714786.db2.gz SCRKPVQRMHCKLG-UHFFFAOYSA-N 1 0 408.933 4.413 50 0 HIAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@@H](C)C2 ZINC000004554475 558722116 /nfs/dbraw/zinc/72/21/16/558722116.db2.gz UJDIRCFXVYKQCU-CYBMUJFWSA-N 1 0 403.523 4.202 50 0 HIAARO Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CC[NH+](C5CC5)CC4)cc3)o2)cc1 ZINC000032891431 558732148 /nfs/dbraw/zinc/73/21/48/558732148.db2.gz MUSQOWODBIXLLE-UHFFFAOYSA-N 1 0 402.498 4.069 50 0 HIAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000011096399 558762374 /nfs/dbraw/zinc/76/23/74/558762374.db2.gz QLYYYJBKOQHTKP-BTYIYWSLSA-N 1 0 408.546 4.468 50 0 HIAARO S=C(Nc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015952088 558763900 /nfs/dbraw/zinc/76/39/00/558763900.db2.gz KADBDPLNZVMZIZ-UHFFFAOYSA-N 1 0 404.377 4.400 50 0 HIAARO CC(=O)Nc1ccc(OC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000060241943 558789531 /nfs/dbraw/zinc/78/95/31/558789531.db2.gz OUNGZDGWKWDZJT-HXUWFJFHSA-N 1 0 406.404 4.005 50 0 HIAARO COc1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)no2)cc1 ZINC000017092764 558821276 /nfs/dbraw/zinc/82/12/76/558821276.db2.gz KLDMGYLAHWPZAY-UHFFFAOYSA-N 1 0 421.541 4.077 50 0 HIAARO C[C@@H](c1nccs1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000039490086 558821661 /nfs/dbraw/zinc/82/16/61/558821661.db2.gz OMPLDYHNBNZCLJ-DZGCQCFKSA-N 1 0 421.950 4.099 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000019110865 558841707 /nfs/dbraw/zinc/84/17/07/558841707.db2.gz RJPSIUGNNJJLHJ-LJQANCHMSA-N 1 0 410.587 4.475 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035701 558859663 /nfs/dbraw/zinc/85/96/63/558859663.db2.gz JSFYTVYCMUAFQC-JOCHJYFZSA-N 1 0 422.573 4.170 50 0 HIAARO COc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c(OC)c1OC ZINC000019361462 558876420 /nfs/dbraw/zinc/87/64/20/558876420.db2.gz RSZSZWNPFHPPCJ-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055385097 558880618 /nfs/dbraw/zinc/88/06/18/558880618.db2.gz ROPCZVWOZTVGKQ-BVRWQAIYSA-N 1 0 411.571 4.447 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033129588 558885513 /nfs/dbraw/zinc/88/55/13/558885513.db2.gz OVEQTHHNJQXXQG-UHFFFAOYSA-N 1 0 404.514 4.400 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccccc4CC)c(C)c32)CC1 ZINC000033048415 558885733 /nfs/dbraw/zinc/88/57/33/558885733.db2.gz CMXUXFKLWKRDIU-UHFFFAOYSA-N 1 0 423.586 4.346 50 0 HIAARO O=C(COc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057428740 558888594 /nfs/dbraw/zinc/88/85/94/558888594.db2.gz ARDSVWSUILGFLD-UHFFFAOYSA-N 1 0 401.510 4.026 50 0 HIAARO CN(C)N1c2cc(Cl)ccc2[C@@](CCC[NH+](C)C)(c2ccc(Cl)cc2)C1=O ZINC000071767295 558910918 /nfs/dbraw/zinc/91/09/18/558910918.db2.gz GLYRAQFIAGUZGJ-OAQYLSRUSA-N 1 0 406.357 4.445 50 0 HIAARO C[C@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)[NH+]1CCC(C)CC1 ZINC000058209353 558911881 /nfs/dbraw/zinc/91/18/81/558911881.db2.gz HNEWPUWMBHUGTG-HXUWFJFHSA-N 1 0 404.558 4.195 50 0 HIAARO O=C(Nc1cccc(COCCOc2ccccc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058216503 558912573 /nfs/dbraw/zinc/91/25/73/558912573.db2.gz HTSQUYQHKAXALA-QHCPKHFHSA-N 1 0 423.557 4.374 50 0 HIAARO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@H](C)O1 ZINC000058224453 558913370 /nfs/dbraw/zinc/91/33/70/558913370.db2.gz ANWUSQFGMAREHE-BGYRXZFFSA-N 1 0 408.542 4.440 50 0 HIAARO CC[NH+](CC)CCn1ccc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc21 ZINC000058243948 558914086 /nfs/dbraw/zinc/91/40/86/558914086.db2.gz SNVQMFWGHQGLSA-UHFFFAOYSA-N 1 0 408.502 4.034 50 0 HIAARO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000004719676 558919033 /nfs/dbraw/zinc/91/90/33/558919033.db2.gz WTZUJLFJNJUKSX-HSZRJFAPSA-N 1 0 424.541 4.119 50 0 HIAARO O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000058393477 558923759 /nfs/dbraw/zinc/92/37/59/558923759.db2.gz FJQFKNKGXKJIRX-IBGZPJMESA-N 1 0 415.331 4.299 50 0 HIAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC[NH+]4CCCC4)c3)ncn2)cc1 ZINC000033261012 558926987 /nfs/dbraw/zinc/92/69/87/558926987.db2.gz FHZSHSVEWZSDTN-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO COc1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000058434998 558927153 /nfs/dbraw/zinc/92/71/53/558927153.db2.gz PLDMDBHJGXCTHW-QVKFZJNVSA-N 1 0 424.438 4.466 50 0 HIAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000019637751 558947363 /nfs/dbraw/zinc/94/73/63/558947363.db2.gz WKHLIIHWSNWVII-JOCHJYFZSA-N 1 0 404.533 4.161 50 0 HIAARO Cc1cc(C)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)c(C)c1 ZINC000065408396 558977433 /nfs/dbraw/zinc/97/74/33/558977433.db2.gz ZUBMJUMOUGIJRP-LJQANCHMSA-N 1 0 405.502 4.223 50 0 HIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCC[C@@](O)(CO)C2)CCC4)c1 ZINC000072433849 558979601 /nfs/dbraw/zinc/97/96/01/558979601.db2.gz DDTLDTHHJNJSFJ-SANMLTNESA-N 1 0 402.538 4.018 50 0 HIAARO C[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000072454121 558982914 /nfs/dbraw/zinc/98/29/14/558982914.db2.gz UUCVOCBKPDJKKM-LJQANCHMSA-N 1 0 400.526 4.481 50 0 HIAARO Cc1c(Cl)cccc1NC(=S)N[C@H](C)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031350 558985350 /nfs/dbraw/zinc/98/53/50/558985350.db2.gz XZTFFADPXVZPGM-UTKZUKDTSA-N 1 0 417.022 4.312 50 0 HIAARO Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000033290161 559047206 /nfs/dbraw/zinc/04/72/06/559047206.db2.gz SQVWEUMFJIPLEP-UHFFFAOYSA-N 1 0 413.634 4.068 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cccs1 ZINC000014141175 559153560 /nfs/dbraw/zinc/15/35/60/559153560.db2.gz OLZLCNLQHKDPFI-KRWDZBQOSA-N 1 0 407.539 4.010 50 0 HIAARO CCCOc1c(C[NH2+]CCCOc2ccccn2)cc(Br)cc1OC ZINC000113396725 559180070 /nfs/dbraw/zinc/18/00/70/559180070.db2.gz IMHCFYWGVLLTTK-UHFFFAOYSA-N 1 0 409.324 4.200 50 0 HIAARO CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939110 559211665 /nfs/dbraw/zinc/21/16/65/559211665.db2.gz BQRLKZANJNANMD-UHFFFAOYSA-N 1 0 413.587 4.478 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000005091580 559243848 /nfs/dbraw/zinc/24/38/48/559243848.db2.gz IJZHINJXZWCPJF-QGZVFWFLSA-N 1 0 416.319 4.398 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093784 559244395 /nfs/dbraw/zinc/24/43/95/559244395.db2.gz LOIDELWTKCBCMX-NRFANRHFSA-N 1 0 407.514 4.059 50 0 HIAARO O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000011752211 559257474 /nfs/dbraw/zinc/25/74/74/559257474.db2.gz NLAULZISEHDFMM-UHFFFAOYSA-N 1 0 409.511 4.306 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)N1Cc1cccc(OC(F)(F)F)c1 ZINC000011783563 559259168 /nfs/dbraw/zinc/25/91/68/559259168.db2.gz UDEVEXCDJJEGGI-SFHVURJKSA-N 1 0 410.411 4.395 50 0 HIAARO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[NH+]4CCSCC4)cc3)C2)cc1 ZINC000011982519 559269917 /nfs/dbraw/zinc/26/99/17/559269917.db2.gz LHUZHERFISLALF-QFIPXVFZSA-N 1 0 424.610 4.475 50 0 HIAARO Cc1cc(C)cc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2cccs2)c1 ZINC000101215721 560790077 /nfs/dbraw/zinc/79/00/77/560790077.db2.gz VHMKDNJQCVQLEF-UHFFFAOYSA-N 1 0 416.660 4.201 50 0 HIAARO C[N@@H+](Cc1ccccc1)Cc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)nc2[nH]1 ZINC000101747771 560800177 /nfs/dbraw/zinc/80/01/77/560800177.db2.gz MRWFFFRGAVPWFZ-UHFFFAOYSA-N 1 0 401.514 4.014 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105008144 560859698 /nfs/dbraw/zinc/85/96/98/560859698.db2.gz VXRPAUHUZFFSCH-GAJHUEQPSA-N 1 0 409.505 4.386 50 0 HIAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050408 560860842 /nfs/dbraw/zinc/86/08/42/560860842.db2.gz XMJZRTUJAVPONG-NFBKMPQASA-N 1 0 416.537 4.074 50 0 HIAARO C[N@@H+]1CCCN(c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2F)CC1 ZINC000047561389 560892254 /nfs/dbraw/zinc/89/22/54/560892254.db2.gz LPCNGWRYTYYOKE-LJQANCHMSA-N 1 0 402.539 4.398 50 0 HIAARO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000108382106 568418516 /nfs/dbraw/zinc/41/85/16/568418516.db2.gz KQXCZCKCZIAWRD-VAMGGRTRSA-N 1 0 417.594 4.147 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000048098606 568431976 /nfs/dbraw/zinc/43/19/76/568431976.db2.gz HZAPBHZYBADXJS-IBGZPJMESA-N 1 0 414.575 4.189 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000048240103 568433242 /nfs/dbraw/zinc/43/32/42/568433242.db2.gz PBBSSYUBMFETER-CALCHBBNSA-N 1 0 416.591 4.158 50 0 HIAARO CCOc1ccc([C@H](C)NC(=O)c2cn(CC[NH+](C)C)c3ccccc23)cc1OC ZINC000048302458 568437667 /nfs/dbraw/zinc/43/76/67/568437667.db2.gz MAWYEDCDWRIGFP-KRWDZBQOSA-N 1 0 409.530 4.101 50 0 HIAARO COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048313568 568439181 /nfs/dbraw/zinc/43/91/81/568439181.db2.gz BHZYJPSNCTUBRJ-LJQANCHMSA-N 1 0 417.347 4.081 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC ZINC000020932861 568460778 /nfs/dbraw/zinc/46/07/78/568460778.db2.gz WEWUATYCSLKEKV-UHFFFAOYSA-N 1 0 408.292 4.265 50 0 HIAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000055530807 568488969 /nfs/dbraw/zinc/48/89/69/568488969.db2.gz ZTKNIFTWSVVMRN-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)o2)cc1 ZINC000022897408 568500314 /nfs/dbraw/zinc/50/03/14/568500314.db2.gz AKUVELFXAMSRRJ-UHFFFAOYSA-N 1 0 405.498 4.171 50 0 HIAARO CCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCC[N@@H+]1CC ZINC000022935893 568500864 /nfs/dbraw/zinc/50/08/64/568500864.db2.gz RIVHPPXPQQGEDK-AWEZNQCLSA-N 1 0 420.189 4.184 50 0 HIAARO O[C@H](CSc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385155 568603037 /nfs/dbraw/zinc/60/30/37/568603037.db2.gz VWTRFSGVCSGCSK-INIZCTEOSA-N 1 0 415.361 4.408 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446457 568612074 /nfs/dbraw/zinc/61/20/74/568612074.db2.gz UGZJUICQOFVDAB-LEWJYISDSA-N 1 0 407.002 4.449 50 0 HIAARO C[NH+]1CCN(CCc2cccc(NC(=O)CCSc3ccc(Cl)cc3)c2)CC1 ZINC000095457791 568618755 /nfs/dbraw/zinc/61/87/55/568618755.db2.gz HUAGSVQOJTZBOC-UHFFFAOYSA-N 1 0 418.006 4.251 50 0 HIAARO Cc1ccc2c(c1)-c1onc(C(=O)NCC[N@H+](Cc3ccco3)C3CCCC3)c1CO2 ZINC000020510074 568621036 /nfs/dbraw/zinc/62/10/36/568621036.db2.gz GIAFSYMPMKUZTK-UHFFFAOYSA-N 1 0 421.497 4.310 50 0 HIAARO FC(F)(F)c1cccc([C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccncc2)c1 ZINC000095466828 568624193 /nfs/dbraw/zinc/62/41/93/568624193.db2.gz LAGPQNCFGNIGHB-NRFANRHFSA-N 1 0 415.463 4.340 50 0 HIAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(F)cc1 ZINC000020766689 568643154 /nfs/dbraw/zinc/64/31/54/568643154.db2.gz CTOVZQKWZILXDQ-UHFFFAOYSA-N 1 0 401.485 4.152 50 0 HIAARO COc1cc(OC)c(NC(=O)NC[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1Cl ZINC000020889893 568647640 /nfs/dbraw/zinc/64/76/40/568647640.db2.gz FMUNXLUQSCLFIJ-QGZVFWFLSA-N 1 0 417.937 4.309 50 0 HIAARO CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000225543053 568649284 /nfs/dbraw/zinc/64/92/84/568649284.db2.gz ZXLZDUXGVMQVPX-UHFFFAOYSA-N 1 0 410.624 4.460 50 0 HIAARO COc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3C)c2C2CC[NH2+]CC2)cc1 ZINC000020941078 568652707 /nfs/dbraw/zinc/65/27/07/568652707.db2.gz JHYCMTZVPNSNAJ-UHFFFAOYSA-N 1 0 408.477 4.048 50 0 HIAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC4CC4)CC3)cc3ccccc32)cc1 ZINC000021116245 568669140 /nfs/dbraw/zinc/66/91/40/568669140.db2.gz DLXQLTWOHLREML-UHFFFAOYSA-N 1 0 401.554 4.489 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000021174902 568677004 /nfs/dbraw/zinc/67/70/04/568677004.db2.gz BOQFQBIHWCRSCV-UHFFFAOYSA-N 1 0 415.921 4.145 50 0 HIAARO COc1ccc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc1 ZINC000012387583 568681697 /nfs/dbraw/zinc/68/16/97/568681697.db2.gz WUPQIHZXSQHRAO-SANMLTNESA-N 1 0 406.570 4.185 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000000858790 568713351 /nfs/dbraw/zinc/71/33/51/568713351.db2.gz YTILIDHNOSRDBJ-FQEVSTJZSA-N 1 0 421.372 4.304 50 0 HIAARO Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCC[C@@H](C)[NH+]2CCCCCC2)o1 ZINC000096324159 568733379 /nfs/dbraw/zinc/73/33/79/568733379.db2.gz GRRJVWZQMFGWDJ-MRXNPFEDSA-N 1 0 410.518 4.484 50 0 HIAARO CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247986580 568747044 /nfs/dbraw/zinc/74/70/44/568747044.db2.gz KRJZNRRUNWRSNK-SFHVURJKSA-N 1 0 408.521 4.245 50 0 HIAARO CC(C)c1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022038564 568764280 /nfs/dbraw/zinc/76/42/80/568764280.db2.gz LTIQXNWQFWRYDQ-KRWDZBQOSA-N 1 0 408.995 4.082 50 0 HIAARO O[C@@H](COCc1cccs1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000096682215 568764319 /nfs/dbraw/zinc/76/43/19/568764319.db2.gz MZJDAIBIDRZPFQ-HSZRJFAPSA-N 1 0 422.594 4.033 50 0 HIAARO O=C(Cc1ccc(Br)cc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689304 568779049 /nfs/dbraw/zinc/77/90/49/568779049.db2.gz ZNPXXTUQCBXHAY-UHFFFAOYSA-N 1 0 419.388 4.102 50 0 HIAARO CC[NH+](CC)Cc1ccccc1NCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000055869122 568784343 /nfs/dbraw/zinc/78/43/43/568784343.db2.gz KGTUPYVEPIHYJC-UHFFFAOYSA-N 1 0 405.926 4.250 50 0 HIAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000005831046 568825109 /nfs/dbraw/zinc/82/51/09/568825109.db2.gz HUGDWXCEORTDQI-XMMPIXPASA-N 1 0 410.602 4.286 50 0 HIAARO CC1CC[NH+](CCNC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CC1 ZINC000057992220 568873030 /nfs/dbraw/zinc/87/30/30/568873030.db2.gz QJAQVBFGROTJLO-UHFFFAOYSA-N 1 0 404.530 4.198 50 0 HIAARO COc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc(Cl)c1OC(C)C ZINC000015356516 568879833 /nfs/dbraw/zinc/87/98/33/568879833.db2.gz WJBOQXZZTQGPQO-UHFFFAOYSA-N 1 0 417.937 4.140 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2OC)[NH+]2CCCC2)cc1 ZINC000003414380 568898749 /nfs/dbraw/zinc/89/87/49/568898749.db2.gz YAYHYWWKCFAPKI-HSZRJFAPSA-N 1 0 404.510 4.424 50 0 HIAARO C[N@H+](CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1)C1CCCCC1 ZINC000015774009 568919790 /nfs/dbraw/zinc/91/97/90/568919790.db2.gz DMSHRYBECIZLFZ-XMMPIXPASA-N 1 0 419.569 4.029 50 0 HIAARO CCCCNc1ccc2c(cc1=O)[C@H]([NH2+]C)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000004027953 568934050 /nfs/dbraw/zinc/93/40/50/568934050.db2.gz OYYXABWKLNADAF-GOSISDBHSA-N 1 0 412.530 4.158 50 0 biogenic HIAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004041174 568935858 /nfs/dbraw/zinc/93/58/58/568935858.db2.gz LFQOBUGWTJTTGE-DBFQGJLESA-N 1 0 423.597 4.226 50 0 biogenic HIAARO COc1ccc2nc3oc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3cc2c1 ZINC000004057450 568936707 /nfs/dbraw/zinc/93/67/07/568936707.db2.gz OEZSBPDYCNVGAX-UHFFFAOYSA-N 1 0 415.493 4.384 50 0 HIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000670459600 568946143 /nfs/dbraw/zinc/94/61/43/568946143.db2.gz CFGKCZFEZMHNPK-XMMPIXPASA-N 1 0 402.542 4.279 50 0 HIAARO COc1cccc([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+]2CCCC2)c1 ZINC000012762245 568946488 /nfs/dbraw/zinc/94/64/88/568946488.db2.gz MRTRNXIQHSZIMC-IBGZPJMESA-N 1 0 423.340 4.334 50 0 HIAARO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651613 568954784 /nfs/dbraw/zinc/95/47/84/568954784.db2.gz XFLCKTJQLLSWJB-KBPBESRZSA-N 1 0 411.365 4.111 50 0 HIAARO Cc1ccc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2-n2cccc2)cc1 ZINC000015681367 568967951 /nfs/dbraw/zinc/96/79/51/568967951.db2.gz FRCSOOPGWZZPCI-UHFFFAOYSA-N 1 0 417.557 4.062 50 0 HIAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1NC(=O)c1ccco1 ZINC000008266515 568985978 /nfs/dbraw/zinc/98/59/78/568985978.db2.gz UPHIERCMVPAACM-UHFFFAOYSA-N 1 0 417.509 4.366 50 0 HIAARO CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1Br ZINC000035273769 569016753 /nfs/dbraw/zinc/01/67/53/569016753.db2.gz OUWLEZKNMITPMX-IINYFYTJSA-N 1 0 407.146 4.267 50 0 HIAARO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000012892545 569020198 /nfs/dbraw/zinc/02/01/98/569020198.db2.gz PJCRBDSQOQMWGE-NQIIRXRSSA-N 1 0 410.341 4.179 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc(F)c1 ZINC000012916854 569022383 /nfs/dbraw/zinc/02/23/83/569022383.db2.gz CXWUHGRSRFKOGN-HXUWFJFHSA-N 1 0 415.509 4.134 50 0 HIAARO COc1ccc(OCC[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047199 569028289 /nfs/dbraw/zinc/02/82/89/569028289.db2.gz BPLIUYUPSGGOIT-UONOGXRCSA-N 1 0 411.329 4.236 50 0 HIAARO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000012953628 569029689 /nfs/dbraw/zinc/02/96/89/569029689.db2.gz BNYJXLQSLRNACW-ZDUSSCGKSA-N 1 0 404.301 4.206 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(C)cc1)=N2 ZINC000035372485 569033899 /nfs/dbraw/zinc/03/38/99/569033899.db2.gz VAOUYOHDRAYPNY-UHFFFAOYSA-N 1 0 420.582 4.380 50 0 HIAARO CCS[C@@H]1CC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000229333089 569040459 /nfs/dbraw/zinc/04/04/59/569040459.db2.gz GLIYGQSVFUSNAY-ZHALLVOQSA-N 1 0 400.510 4.231 50 0 HIAARO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053846517 569048830 /nfs/dbraw/zinc/04/88/30/569048830.db2.gz JPDUFWSPJLPYDW-XMMPIXPASA-N 1 0 415.537 4.426 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000524730532 569051648 /nfs/dbraw/zinc/05/16/48/569051648.db2.gz MDEUSTZAXWTZGX-XUZZJYLKSA-N 1 0 411.590 4.230 50 0 HIAARO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2C(=O)OC(C)(C)C)CCCC1 ZINC000241590483 569054758 /nfs/dbraw/zinc/05/47/58/569054758.db2.gz PFFSEWZJZWHYGJ-NJDAHSKKSA-N 1 0 424.626 4.368 50 0 HIAARO CCCC[N@@H+]1CCCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925700 569066380 /nfs/dbraw/zinc/06/63/80/569066380.db2.gz USROYNLVULDKBR-UHFFFAOYSA-N 1 0 406.578 4.326 50 0 HIAARO Cc1cccc(OCc2nc(CN(CC[NH+](C)C)C(=O)C3CCCC3)cs2)c1 ZINC000036106601 569093208 /nfs/dbraw/zinc/09/32/08/569093208.db2.gz POMATOUKWQGOEW-UHFFFAOYSA-N 1 0 401.576 4.111 50 0 HIAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1 ZINC000036147362 569098584 /nfs/dbraw/zinc/09/85/84/569098584.db2.gz DEDDODFMWLIOAP-JOCHJYFZSA-N 1 0 417.509 4.286 50 0 HIAARO COc1ccc(-c2noc(-c3ccc(NCC[C@H](C)[NH+]4CCCCCC4)nn3)n2)cc1 ZINC000064838080 569106233 /nfs/dbraw/zinc/10/62/33/569106233.db2.gz YYNPGCIPOJZQDT-KRWDZBQOSA-N 1 0 422.533 4.269 50 0 HIAARO CCc1cc(=O)oc2c1ccc1c2CN(C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000006760503 569113488 /nfs/dbraw/zinc/11/34/88/569113488.db2.gz SDNQHHCJQWDTCG-UHFFFAOYSA-N 1 0 404.510 4.172 50 0 HIAARO CCN(CC)c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)CC(C)C ZINC000036249509 569118525 /nfs/dbraw/zinc/11/85/25/569118525.db2.gz BBJLTPYIMGMTAG-UHFFFAOYSA-N 1 0 400.567 4.124 50 0 HIAARO CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249911 569119236 /nfs/dbraw/zinc/11/92/36/569119236.db2.gz IOPSWJJAAVNASF-OAQYLSRUSA-N 1 0 417.594 4.432 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000169679608 569126961 /nfs/dbraw/zinc/12/69/61/569126961.db2.gz VXRPAUHUZFFSCH-UZUQRXQVSA-N 1 0 409.505 4.386 50 0 HIAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308234 569130354 /nfs/dbraw/zinc/13/03/54/569130354.db2.gz ZDMBRWPSGVQTEX-NRFANRHFSA-N 1 0 421.541 4.241 50 0 HIAARO CC1CCN(c2nc3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3s2)CC1 ZINC000006806288 569130932 /nfs/dbraw/zinc/13/09/32/569130932.db2.gz IXMPNHYYIDBEGP-UHFFFAOYSA-N 1 0 400.592 4.138 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000006809551 569133558 /nfs/dbraw/zinc/13/35/58/569133558.db2.gz VWIIVWRQISAIDK-LZJOCLMNSA-N 1 0 406.979 4.338 50 0 HIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)C1 ZINC000064968471 569137979 /nfs/dbraw/zinc/13/79/79/569137979.db2.gz RMSNLPMIUVCZCG-QGZVFWFLSA-N 1 0 409.505 4.410 50 0 HIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000036343380 569142835 /nfs/dbraw/zinc/14/28/35/569142835.db2.gz NORFVRZANSTFFI-QFIPXVFZSA-N 1 0 409.530 4.032 50 0 HIAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3)ccc21 ZINC000065026880 569155829 /nfs/dbraw/zinc/15/58/29/569155829.db2.gz NBQMVDDVDNATQO-UHFFFAOYSA-N 1 0 419.569 4.259 50 0 HIAARO C[C@H](Cc1ccco1)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000065060082 569163881 /nfs/dbraw/zinc/16/38/81/569163881.db2.gz LIEZIOXGWWBZRN-MRXNPFEDSA-N 1 0 413.949 4.384 50 0 HIAARO COc1ccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)c(OC)c1 ZINC000006877329 569164089 /nfs/dbraw/zinc/16/40/89/569164089.db2.gz YBZSUXFQGYITMO-UHFFFAOYSA-N 1 0 409.530 4.006 50 0 HIAARO Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000065136035 569183349 /nfs/dbraw/zinc/18/33/49/569183349.db2.gz RYRNZFSNSBLRSQ-UHFFFAOYSA-N 1 0 422.573 4.228 50 0 HIAARO Clc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)cn1 ZINC000065255071 569207585 /nfs/dbraw/zinc/20/75/85/569207585.db2.gz NFOANAQDTKYGQL-UHFFFAOYSA-N 1 0 408.893 4.288 50 0 HIAARO COCCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285377 569216749 /nfs/dbraw/zinc/21/67/49/569216749.db2.gz IULISINVXLJUSK-INIZCTEOSA-N 1 0 404.436 4.086 50 0 HIAARO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000007142980 569226310 /nfs/dbraw/zinc/22/63/10/569226310.db2.gz XZXUWSJDBXYPAI-VIICAESSSA-N 1 0 417.553 4.289 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000007263607 569230809 /nfs/dbraw/zinc/23/08/09/569230809.db2.gz QCZJPPXKIDBUSR-JOCHJYFZSA-N 1 0 404.510 4.297 50 0 HIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)s4)cc3s2)CC1 ZINC000007512870 569243825 /nfs/dbraw/zinc/24/38/25/569243825.db2.gz GDPNDTZKQINTJS-UHFFFAOYSA-N 1 0 407.948 4.372 50 0 HIAARO CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000089930392 569269046 /nfs/dbraw/zinc/26/90/46/569269046.db2.gz XXWDKQGCKHEQTP-XZOQPEGZSA-N 1 0 424.614 4.287 50 0 HIAARO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993725 569270826 /nfs/dbraw/zinc/27/08/26/569270826.db2.gz GJQDGZIWGKJUKK-DEOSSOPVSA-N 1 0 403.526 4.127 50 0 HIAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCCCC2)cc1 ZINC000017041120 569272228 /nfs/dbraw/zinc/27/22/28/569272228.db2.gz VSSNFSSMJUEYSV-DEOSSOPVSA-N 1 0 403.526 4.189 50 0 HIAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000252452495 569286302 /nfs/dbraw/zinc/28/63/02/569286302.db2.gz LQYLSUJUDQULDL-SRYPRDQNSA-N 1 0 422.573 4.032 50 0 HIAARO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(Cl)c1OC ZINC000007850496 569314658 /nfs/dbraw/zinc/31/46/58/569314658.db2.gz GNUBFGOWEFFDDW-UHFFFAOYSA-N 1 0 402.922 4.273 50 0 HIAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1N(C)C(=O)[C@H](C)[N@@H+]1CCCC(C)(C)C1 ZINC000002316117 569373086 /nfs/dbraw/zinc/37/30/86/569373086.db2.gz MICCWRBLDGFHLQ-ZDUSSCGKSA-N 1 0 405.926 4.081 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2ccc(C(F)(F)F)cc2)c1=N ZINC000253470665 569381091 /nfs/dbraw/zinc/38/10/91/569381091.db2.gz WWZBPOGINUQJRS-UHFFFAOYSA-N 1 0 418.463 4.166 50 0 HIAARO CCCc1nc2sc3c(nc(SC)nc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000002410907 569396851 /nfs/dbraw/zinc/39/68/51/569396851.db2.gz JAGOVYXPYNEPIJ-UHFFFAOYSA-N 1 0 401.605 4.376 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000012882167 569404390 /nfs/dbraw/zinc/40/43/90/569404390.db2.gz JHZIHHYUBZAJMF-OUDZHVFCSA-N 1 0 400.607 4.251 50 0 HIAARO c1ccc(-c2nnn3c2nc(N2CC[NH+](C4CCCCC4)CC2)c2ccccc23)cc1 ZINC000067263316 571061752 /nfs/dbraw/zinc/06/17/52/571061752.db2.gz QQNPZCFWIKTGLL-UHFFFAOYSA-N 1 0 412.541 4.399 50 0 HIAARO COc1ccc([C@@H](CNC(=O)NCCc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000040001139 571137627 /nfs/dbraw/zinc/13/76/27/571137627.db2.gz KSCKXBCGOYTECU-OAQYLSRUSA-N 1 0 401.938 4.027 50 0 HIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008893263 571143051 /nfs/dbraw/zinc/14/30/51/571143051.db2.gz BSCJGPGNNVCWPP-GOSISDBHSA-N 1 0 423.941 4.213 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(OC)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000008917211 571153265 /nfs/dbraw/zinc/15/32/65/571153265.db2.gz GBOZPIOZLGCQOD-FQEVSTJZSA-N 1 0 402.922 4.314 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)NCC3(c4ccccc4)CCC3)c(C)c2)CC1 ZINC000040103845 571164519 /nfs/dbraw/zinc/16/45/19/571164519.db2.gz WLROZAWUQOUKJD-UHFFFAOYSA-N 1 0 406.574 4.380 50 0 HIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000040104526 571165389 /nfs/dbraw/zinc/16/53/89/571165389.db2.gz WZBCYXYZUJIGGG-UHFFFAOYSA-N 1 0 406.530 4.479 50 0 HIAARO O=C(CCCOc1ccccc1Br)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040120015 571176076 /nfs/dbraw/zinc/17/60/76/571176076.db2.gz WDIVMWBXCUXOJH-QGZVFWFLSA-N 1 0 421.335 4.154 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)no1 ZINC000009448677 571259807 /nfs/dbraw/zinc/25/98/07/571259807.db2.gz OQGLYTWWGRFHJC-UHFFFAOYSA-N 1 0 422.554 4.196 50 0 HIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000009672189 571278688 /nfs/dbraw/zinc/27/86/88/571278688.db2.gz HKXXHRYSSKROHY-QFIPXVFZSA-N 1 0 400.482 4.185 50 0 HIAARO O=C(Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)c1cccs1 ZINC000009950745 571291431 /nfs/dbraw/zinc/29/14/31/571291431.db2.gz VRSAXOSAOXEJOF-HXUWFJFHSA-N 1 0 405.523 4.005 50 0 HIAARO CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2OC32CC[NH+](C)CC2)cc1 ZINC000010214392 571296797 /nfs/dbraw/zinc/29/67/97/571296797.db2.gz FXGJFLIARCLUOY-JOCHJYFZSA-N 1 0 421.541 4.449 50 0 HIAARO COCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)o1 ZINC000011813216 845836142 /nfs/dbraw/zinc/83/61/42/845836142.db2.gz QHGYSWKLCWCVRE-GOSISDBHSA-N 1 0 418.921 4.329 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCc3nc(C)c[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011819648 845836847 /nfs/dbraw/zinc/83/68/47/845836847.db2.gz IXXSNFVUCOOPNQ-UHFFFAOYSA-N 1 0 405.477 4.051 50 0 HIAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000011839491 845838144 /nfs/dbraw/zinc/83/81/44/845838144.db2.gz PKTFGFQDWCCSGK-SFHVURJKSA-N 1 0 403.526 4.251 50 0 HIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)c1 ZINC000011879904 845838976 /nfs/dbraw/zinc/83/89/76/845838976.db2.gz IEKSRBAXETWDOO-NRFANRHFSA-N 1 0 405.498 4.204 50 0 HIAARO Cc1nc(C(=O)NC[C@@H](C)Oc2cccc(C[N@H+](C)Cc3ccsc3)c2)cs1 ZINC000011910479 845839848 /nfs/dbraw/zinc/83/98/48/845839848.db2.gz IWVZCEKWSCKVMY-OAHLLOKOSA-N 1 0 415.584 4.342 50 0 HIAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCCCc2scnc2C)Cc2ccccc2O1 ZINC000011964826 845843978 /nfs/dbraw/zinc/84/39/78/845843978.db2.gz VMXUMIIFHCDACC-HXUWFJFHSA-N 1 0 415.603 4.344 50 0 HIAARO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC12CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000012079887 845852933 /nfs/dbraw/zinc/85/29/33/845852933.db2.gz LAEJGAVACLPXAP-FQEVSTJZSA-N 1 0 422.479 4.391 50 0 HIAARO O=C(Nc1ccc(F)c(F)c1)[C@H]1CC12CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000012079888 845853312 /nfs/dbraw/zinc/85/33/12/845853312.db2.gz LAEJGAVACLPXAP-HXUWFJFHSA-N 1 0 422.479 4.391 50 0 HIAARO COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cccn1-c1cccnc1)CC2 ZINC000012122518 845855199 /nfs/dbraw/zinc/85/51/99/845855199.db2.gz BAYYKANEMSJKTO-NRFANRHFSA-N 1 0 416.525 4.122 50 0 HIAARO O=c1c(C[NH+]2CCSCC2)cc2ccc(Cl)cc2n1CCOc1ccccc1 ZINC000012148954 845855935 /nfs/dbraw/zinc/85/59/35/845855935.db2.gz LDRPVGNBZRSZMC-UHFFFAOYSA-N 1 0 414.958 4.283 50 0 HIAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)[N@@H+]3CCC[C@@]123 ZINC000012432380 845870407 /nfs/dbraw/zinc/87/04/07/845870407.db2.gz IEBDWJNQELBVEB-BUKVSMQUSA-N 1 0 424.957 4.283 50 0 HIAARO Clc1ccc(-n2cccc2C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)nc1 ZINC000012434880 845870962 /nfs/dbraw/zinc/87/09/62/845870962.db2.gz JNHMFHBDSASAEW-LJQANCHMSA-N 1 0 424.932 4.373 50 0 HIAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC000014539155 845956723 /nfs/dbraw/zinc/95/67/23/845956723.db2.gz DEZONIWMWOJJQN-FQEVSTJZSA-N 1 0 404.558 4.041 50 0 HIAARO COc1cc2nc(N(C)C)c(C[NH2+][C@H]3CCCc4ccccc43)cc2c(OC)c1OC ZINC000014958001 845994764 /nfs/dbraw/zinc/99/47/64/845994764.db2.gz FPXVQEKCZPMINO-FQEVSTJZSA-N 1 0 421.541 4.494 50 0 HIAARO COc1cc2nc(N(C)C)c(C[NH2+][C@@H]3CCCc4ccccc43)cc2c(OC)c1OC ZINC000014957997 845994830 /nfs/dbraw/zinc/99/48/30/845994830.db2.gz FPXVQEKCZPMINO-HXUWFJFHSA-N 1 0 421.541 4.494 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(F)c(F)c1 ZINC000014960028 845995545 /nfs/dbraw/zinc/99/55/45/845995545.db2.gz HDROAFHCFLGECV-FQEVSTJZSA-N 1 0 418.503 4.450 50 0 HIAARO CSCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000015065594 846004858 /nfs/dbraw/zinc/00/48/58/846004858.db2.gz PKIOTSXPXJPKGN-QFIPXVFZSA-N 1 0 402.535 4.410 50 0 HIAARO O=C(c1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1)N1CCCC1 ZINC000020256665 846382661 /nfs/dbraw/zinc/38/26/61/846382661.db2.gz JRCCVCJUBMCWHG-QHCPKHFHSA-N 1 0 415.541 4.018 50 0 HIAARO COc1ccccc1CC[NH2+][C@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020860699 846392345 /nfs/dbraw/zinc/39/23/45/846392345.db2.gz JKYWVQKELGFXBV-KRWDZBQOSA-N 1 0 423.582 4.271 50 0 HIAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000023619660 846730823 /nfs/dbraw/zinc/73/08/23/846730823.db2.gz XVDIKNRGTXMFQT-FQEVSTJZSA-N 1 0 424.495 4.164 50 0 HIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000055073314 849966384 /nfs/dbraw/zinc/96/63/84/849966384.db2.gz MRQAWYAWDMCYML-UHFFFAOYSA-N 1 0 417.488 4.297 50 0 HIAARO O=C(c1csc2c1CCCC2)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055575686 850060922 /nfs/dbraw/zinc/06/09/22/850060922.db2.gz DZSSWCAAXCKQSX-HXUWFJFHSA-N 1 0 409.599 4.054 50 0 HIAARO COc1cccc([C@@H](CNC(=O)/C=C\c2ccc(OC(F)F)cc2)[NH+]2CCCC2)c1 ZINC000097985905 852646856 /nfs/dbraw/zinc/64/68/56/852646856.db2.gz XTHXIONLWBXZEE-ZDKIGPTLSA-N 1 0 416.468 4.263 50 0 HIAARO O=C(/C=C\c1ccc(OCc2ccccn2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000229891409 853893472 /nfs/dbraw/zinc/89/34/72/853893472.db2.gz LDALBWYMLKPNAA-LKAWRWRFSA-N 1 0 413.521 4.065 50 0 HIAARO COc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O ZINC000254866818 854216077 /nfs/dbraw/zinc/21/60/77/854216077.db2.gz UITQGBLFGUWVDH-UHFFFAOYSA-N 1 0 401.510 4.142 50 0 HIAARO CC[C@H]1C[N@H+](CCC(=O)N2CCCC[C@@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761682 854281057 /nfs/dbraw/zinc/28/10/57/854281057.db2.gz MXWHHJVCLBFHQK-NZQKXSOJSA-N 1 0 423.557 4.207 50 0 HIAARO CC(C)[N@@H+]1CCc2nc[nH]c2[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000409419683 855483387 /nfs/dbraw/zinc/48/33/87/855483387.db2.gz FQPDGGUABVRMPL-HXUWFJFHSA-N 1 0 420.479 4.289 50 0 HIAARO CC[C@H](O)C[NH2+]C1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1 ZINC000011784192 132350575 /nfs/dbraw/zinc/35/05/75/132350575.db2.gz RYEJMYRETONZME-VWLOTQADSA-N 1 0 423.601 4.367 50 0 HIAARO FC(F)(F)c1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4cc[nH]n4)s3)C2)nc1 ZINC000011819577 132351198 /nfs/dbraw/zinc/35/11/98/132351198.db2.gz JIUJFPDCGVDETM-CQSZACIVSA-N 1 0 407.465 4.311 50 0 HIAARO COc1ccc(C(=O)Nc2ccc(N3CCC([N@@H+]4CCC[C@H](OC)C4)CC3)cc2)cc1 ZINC000012243336 132357712 /nfs/dbraw/zinc/35/77/12/132357712.db2.gz BWXUULHKHGRESJ-DEOSSOPVSA-N 1 0 423.557 4.027 50 0 HIAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH2+]Cc3cccnc3)CC2)cc1)c1ccccc1 ZINC000012243229 132357732 /nfs/dbraw/zinc/35/77/32/132357732.db2.gz VVKMEHLBXAHWTQ-HXUWFJFHSA-N 1 0 414.553 4.331 50 0 HIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000012438656 132360076 /nfs/dbraw/zinc/36/00/76/132360076.db2.gz SCZLHKYQXYGNIK-HSZRJFAPSA-N 1 0 420.601 4.039 50 0 HIAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720847 520714830 /nfs/dbraw/zinc/71/48/30/520714830.db2.gz KUCRFOKCIGLKFU-UHFFFAOYSA-N 1 0 418.965 4.048 50 0 HIAARO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040738031 520715024 /nfs/dbraw/zinc/71/50/24/520715024.db2.gz QEDFUYJRGHUDAF-UHFFFAOYSA-N 1 0 414.546 4.316 50 0 HIAARO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000032930990 521908559 /nfs/dbraw/zinc/90/85/59/521908559.db2.gz QLFGSALNDCACIV-INIZCTEOSA-N 1 0 406.452 4.017 50 0 HIAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040743977 522461435 /nfs/dbraw/zinc/46/14/35/522461435.db2.gz OCOOZECPSLWIEH-LBPRGKRZSA-N 1 0 414.727 4.161 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2csc(Br)c2)[NH+]2CCCC2)c1 ZINC000032779791 524097152 /nfs/dbraw/zinc/09/71/52/524097152.db2.gz XNJIWSQIJUSCCI-MRXNPFEDSA-N 1 0 409.349 4.086 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000040736274 525071590 /nfs/dbraw/zinc/07/15/90/525071590.db2.gz BJGIXAQKEGPJIN-NRFANRHFSA-N 1 0 404.510 4.434 50 0 HIAARO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000006847202 525322233 /nfs/dbraw/zinc/32/22/33/525322233.db2.gz XPOFUGWAUJIMEG-LJQANCHMSA-N 1 0 421.585 4.015 50 0 HIAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000032974935 525838248 /nfs/dbraw/zinc/83/82/48/525838248.db2.gz QVHBICPVGQIUTN-UHFFFAOYSA-N 1 0 416.569 4.382 50 0 HIAARO CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032594009 526064973 /nfs/dbraw/zinc/06/49/73/526064973.db2.gz HEUORGNBNJZVBU-OAQYLSRUSA-N 1 0 422.550 4.320 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000043991690 526157394 /nfs/dbraw/zinc/15/73/94/526157394.db2.gz KOESVRVZOVMAJM-UHFFFAOYSA-N 1 0 401.551 4.259 50 0 HIAARO Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000032740839 526616709 /nfs/dbraw/zinc/61/67/09/526616709.db2.gz QWYRQXFHRVPULR-UHFFFAOYSA-N 1 0 412.584 4.493 50 0 HIAARO Clc1ccc(CC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000040721977 526944248 /nfs/dbraw/zinc/94/42/48/526944248.db2.gz LVDVPOIOBIGHLF-UHFFFAOYSA-N 1 0 405.889 4.440 50 0 HIAARO Clc1ccc(COc2ccccc2C[NH2+]CCCN2CCOCC2)cc1Cl ZINC000040719915 526951194 /nfs/dbraw/zinc/95/11/94/526951194.db2.gz IMOBFBJQIIIGFY-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743478 527556678 /nfs/dbraw/zinc/55/66/78/527556678.db2.gz JQTLJARMLRVLAI-UHFFFAOYSA-N 1 0 404.721 4.324 50 0 HIAARO CCCC(=O)N1CCN(C[C@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000022625495 557075333 /nfs/dbraw/zinc/07/53/33/557075333.db2.gz FAQKCYNRGYTWNS-DEOSSOPVSA-N 1 0 410.558 4.206 50 0 HIAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034681648 557383342 /nfs/dbraw/zinc/38/33/42/557383342.db2.gz DKFGGFUNBDOYEN-UHFFFAOYSA-N 1 0 418.516 4.494 50 0 HIAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681662 557383377 /nfs/dbraw/zinc/38/33/77/557383377.db2.gz VSQOZNSQEUQRTI-UHFFFAOYSA-N 1 0 404.489 4.185 50 0 HIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000002855527 557406844 /nfs/dbraw/zinc/40/68/44/557406844.db2.gz PRLLFLGFFVYWRC-UHFFFAOYSA-N 1 0 408.283 4.385 50 0 HIAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)C4CC4)cc32)CC1 ZINC000034790567 557469803 /nfs/dbraw/zinc/46/98/03/557469803.db2.gz AYFDSHKFQORQJC-UHFFFAOYSA-N 1 0 404.514 4.245 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)sc3c2c1 ZINC000004953612 557616819 /nfs/dbraw/zinc/61/68/19/557616819.db2.gz ZXZMGNTZGFSYNO-UHFFFAOYSA-N 1 0 419.550 4.303 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)sc3c2c1 ZINC000004954245 557617029 /nfs/dbraw/zinc/61/70/29/557617029.db2.gz WOWCYTWKVNXUDA-IYBDPMFKSA-N 1 0 411.571 4.434 50 0 HIAARO Clc1cccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)c1 ZINC000006767728 557720582 /nfs/dbraw/zinc/72/05/82/557720582.db2.gz PANRZVYBSKABQV-UHFFFAOYSA-N 1 0 411.918 4.458 50 0 HIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794942 557822267 /nfs/dbraw/zinc/82/22/67/557822267.db2.gz JRCATXPSPQVTEW-HXUWFJFHSA-N 1 0 406.357 4.020 50 0 HIAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)o1 ZINC000019742119 558262517 /nfs/dbraw/zinc/26/25/17/558262517.db2.gz MYGMLJKBKSJWKW-LJQANCHMSA-N 1 0 406.530 4.148 50 0 HIAARO COc1ccc(C(=O)NCc2ccc(F)cc2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000011661091 558265020 /nfs/dbraw/zinc/26/50/20/558265020.db2.gz SAMPSPTXRSHQLS-UHFFFAOYSA-N 1 0 400.494 4.016 50 0 HIAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011664311 558267894 /nfs/dbraw/zinc/26/78/94/558267894.db2.gz JPXOHOBTWMWGDF-QGZVFWFLSA-N 1 0 407.445 4.039 50 0 HIAARO Cc1cc(C)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c(-n2cccn2)c1 ZINC000011814318 558278506 /nfs/dbraw/zinc/27/85/06/558278506.db2.gz LHAAXZIRWBYRKJ-OWHZGTRUSA-N 1 0 404.558 4.170 50 0 HIAARO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000019770449 558279451 /nfs/dbraw/zinc/27/94/51/558279451.db2.gz HVNAHHKBCKYEDB-IBGZPJMESA-N 1 0 403.592 4.160 50 0 HIAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019781960 558281339 /nfs/dbraw/zinc/28/13/39/558281339.db2.gz SAVKFIMIEUIRHH-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000011819237 558282514 /nfs/dbraw/zinc/28/25/14/558282514.db2.gz CPXKRHXNAAXSIZ-QHAWAJNXSA-N 1 0 406.574 4.351 50 0 HIAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccc(C)cc1 ZINC000011840565 558286758 /nfs/dbraw/zinc/28/67/58/558286758.db2.gz IADLMRVCHLJDPT-UHFFFAOYSA-N 1 0 410.558 4.004 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc3ccccc32)cc1 ZINC000011869850 558290196 /nfs/dbraw/zinc/29/01/96/558290196.db2.gz HMDJQTVMMLWSFY-QHCPKHFHSA-N 1 0 416.521 4.297 50 0 HIAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(C)cc4C)CC3)O2)cs1 ZINC000011872074 558290480 /nfs/dbraw/zinc/29/04/80/558290480.db2.gz OBEBYTIRYSGTSJ-FQEVSTJZSA-N 1 0 413.587 4.012 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@]3(CC[N@H+](C)C3)C2)c(F)c1 ZINC000011873975 558291664 /nfs/dbraw/zinc/29/16/64/558291664.db2.gz BNRIYFSWLSQTQO-VWLOTQADSA-N 1 0 420.532 4.215 50 0 HIAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011874873 558292586 /nfs/dbraw/zinc/29/25/86/558292586.db2.gz BHYAULUEHLOREL-SFHVURJKSA-N 1 0 400.592 4.233 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292601 /nfs/dbraw/zinc/29/26/01/558292601.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 1 0 412.574 4.099 50 0 HIAARO COc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)c(OC)c1OC ZINC000011911832 558297122 /nfs/dbraw/zinc/29/71/22/558297122.db2.gz DJJGBKSVIMIINZ-UHFFFAOYSA-N 1 0 407.514 4.482 50 0 HIAARO CN(C(=O)c1ccc(-c2ncc[nH]2)s1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011936749 558300802 /nfs/dbraw/zinc/30/08/02/558300802.db2.gz FEQKHYHHVFAVJU-IBGZPJMESA-N 1 0 408.571 4.307 50 0 HIAARO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000011945788 558302156 /nfs/dbraw/zinc/30/21/56/558302156.db2.gz ZSKCFYXKWINUOR-NRFANRHFSA-N 1 0 410.583 4.008 50 0 HIAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000011967190 558304276 /nfs/dbraw/zinc/30/42/76/558304276.db2.gz FFIQRWCKWSPOBU-IBGZPJMESA-N 1 0 406.448 4.385 50 0 HIAARO COc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C/C=C/c4ccccc4)CC[C@H]32)c(OC)c1 ZINC000011981639 558306014 /nfs/dbraw/zinc/30/60/14/558306014.db2.gz UFMGSPFAFZFTSW-WUIXQLRJSA-N 1 0 420.553 4.344 50 0 HIAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000019925174 558307601 /nfs/dbraw/zinc/30/76/01/558307601.db2.gz XDAUJKLXDKALEH-UHFFFAOYSA-N 1 0 414.933 4.266 50 0 HIAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)s1 ZINC000012003844 558308618 /nfs/dbraw/zinc/30/86/18/558308618.db2.gz UKJXDIPOMCHQSY-UHFFFAOYSA-N 1 0 424.526 4.071 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1F ZINC000012037835 558312050 /nfs/dbraw/zinc/31/20/50/558312050.db2.gz YAEMTQWHWARAOW-INIZCTEOSA-N 1 0 422.859 4.018 50 0 HIAARO Cc1csc(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000012051831 558314322 /nfs/dbraw/zinc/31/43/22/558314322.db2.gz GASNRYPJBIHFCV-OAQYLSRUSA-N 1 0 417.619 4.088 50 0 HIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCc4cnccn4)C3)C2)cc1 ZINC000012052722 558314662 /nfs/dbraw/zinc/31/46/62/558314662.db2.gz QSOPSUBRLFQWCY-VWLOTQADSA-N 1 0 406.574 4.047 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)c1cccc(F)c1F ZINC000012054864 558315432 /nfs/dbraw/zinc/31/54/32/558315432.db2.gz ORTSCYPRVAFWPF-SFHVURJKSA-N 1 0 418.459 4.048 50 0 HIAARO CCN1C[C@@H](C[NH2+]Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012073300 558318364 /nfs/dbraw/zinc/31/83/64/558318364.db2.gz OBZAWCCGFWFVJZ-HXUWFJFHSA-N 1 0 402.542 4.114 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@H]2CCCCNC2=O)c(C)s1 ZINC000012073908 558318666 /nfs/dbraw/zinc/31/86/66/558318666.db2.gz JNQPXCRXNGNCGC-IBGZPJMESA-N 1 0 412.534 4.115 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012196564 558349840 /nfs/dbraw/zinc/34/98/40/558349840.db2.gz JCAYFPQDTGTLFQ-DEOSSOPVSA-N 1 0 409.505 4.042 50 0 HIAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000012201533 558351441 /nfs/dbraw/zinc/35/14/41/558351441.db2.gz WDHFSKNBTMXLBD-QHCPKHFHSA-N 1 0 410.562 4.427 50 0 HIAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000020367340 558358488 /nfs/dbraw/zinc/35/84/88/558358488.db2.gz KXHOPXQLXPSXLI-UHFFFAOYSA-N 1 0 401.470 4.061 50 0 HIAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000020392511 558359344 /nfs/dbraw/zinc/35/93/44/558359344.db2.gz IPGPAPUYJISELY-OAQYLSRUSA-N 1 0 419.447 4.051 50 0 HIAARO Cc1ccc(C)c(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000012241957 558360587 /nfs/dbraw/zinc/36/05/87/558360587.db2.gz QCKFBFNESUEUHX-UGKGYDQZSA-N 1 0 422.598 4.440 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012314009 558377483 /nfs/dbraw/zinc/37/74/83/558377483.db2.gz VHJLPOZSSNYTRV-FQEVSTJZSA-N 1 0 420.553 4.454 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000012385912 558394799 /nfs/dbraw/zinc/39/47/99/558394799.db2.gz YNTFPMLIDQATHZ-UHFFFAOYSA-N 1 0 423.479 4.135 50 0 HIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2ccc(=O)[nH]c2)C2CCCC2)CC1 ZINC000012387593 558396333 /nfs/dbraw/zinc/39/63/33/558396333.db2.gz AALCIJXUWNIYFA-UHFFFAOYSA-N 1 0 421.585 4.435 50 0 HIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cnn(-c4cccc(F)c4)c3)c2C)cc1 ZINC000012429922 558404717 /nfs/dbraw/zinc/40/47/17/558404717.db2.gz NMUCWBFMENDUEH-MRXNPFEDSA-N 1 0 405.477 4.365 50 0 HIAARO CSCc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)o1 ZINC000012438450 558410089 /nfs/dbraw/zinc/41/00/89/558410089.db2.gz IKGAWMVYIBMIOJ-UHFFFAOYSA-N 1 0 404.551 4.308 50 0 HIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1)c1cccnc1 ZINC000012441804 558412335 /nfs/dbraw/zinc/41/23/35/558412335.db2.gz POGRSJPRGRDKRR-QHCPKHFHSA-N 1 0 415.537 4.303 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000012446037 558414098 /nfs/dbraw/zinc/41/40/98/558414098.db2.gz KUPDQQUXBBHHOQ-UHFFFAOYSA-N 1 0 420.532 4.038 50 0 HIAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(OCCO)c2)Cc2ccccc2O1 ZINC000020858355 558417593 /nfs/dbraw/zinc/41/75/93/558417593.db2.gz KZJSRGOQQHBOTH-RUZDIDTESA-N 1 0 405.494 4.202 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000012459539 558418761 /nfs/dbraw/zinc/41/87/61/558418761.db2.gz HKRVDOCVVKDHCI-HXUWFJFHSA-N 1 0 410.558 4.321 50 0 HIAARO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCCCCO ZINC000020929974 558424092 /nfs/dbraw/zinc/42/40/92/558424092.db2.gz BYGYTHBMZAAKDI-UHFFFAOYSA-N 1 0 409.162 4.253 50 0 HIAARO CCCc1nc(-n2cccc2)sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020946469 558424909 /nfs/dbraw/zinc/42/49/09/558424909.db2.gz JNKLNNXUQVEBTN-UHFFFAOYSA-N 1 0 408.571 4.281 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cc(C)c(C)o3)C2)c(OC)c1 ZINC000012577655 558431550 /nfs/dbraw/zinc/43/15/50/558431550.db2.gz GELCWNDADJTUIZ-LJQANCHMSA-N 1 0 414.546 4.222 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CC(F)(F)F ZINC000012715907 558455208 /nfs/dbraw/zinc/45/52/08/558455208.db2.gz BVHHJCBVLJAXQJ-HNNXBMFYSA-N 1 0 410.402 4.371 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1)C1CC1 ZINC000012718442 558455958 /nfs/dbraw/zinc/45/59/58/558455958.db2.gz FEICNSKQSVBTMV-UHFFFAOYSA-N 1 0 408.546 4.390 50 0 HIAARO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OC ZINC000022074401 558462192 /nfs/dbraw/zinc/46/21/92/558462192.db2.gz LGKCCTGTMUPIJQ-UHFFFAOYSA-N 1 0 424.335 4.206 50 0 HIAARO CCOc1ccccc1-c1nc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC000012883909 558483012 /nfs/dbraw/zinc/48/30/12/558483012.db2.gz DENCVNGVFBENBM-KRWDZBQOSA-N 1 0 415.584 4.232 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cccc(F)c1 ZINC000022462824 558490924 /nfs/dbraw/zinc/49/09/24/558490924.db2.gz LDDZLXKEOJUHQL-HSZRJFAPSA-N 1 0 402.473 4.197 50 0 HIAARO Cc1cccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000012999572 558499882 /nfs/dbraw/zinc/49/98/82/558499882.db2.gz JSYPOUKDMNHJSM-UHFFFAOYSA-N 1 0 402.288 4.375 50 0 HIAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022776796 558509594 /nfs/dbraw/zinc/50/95/94/558509594.db2.gz SDTWNFSDAIVKGQ-HXUWFJFHSA-N 1 0 424.548 4.391 50 0 HIAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000022785030 558510772 /nfs/dbraw/zinc/51/07/72/558510772.db2.gz BKRWBDPITHAZNA-HUUCEWRRSA-N 1 0 406.473 4.070 50 0 HIAARO Cc1cc(-c2nnc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)o2)c(C)o1 ZINC000022803557 558513578 /nfs/dbraw/zinc/51/35/78/558513578.db2.gz MMBZNPMZPMCVSK-UHFFFAOYSA-N 1 0 402.498 4.417 50 0 HIAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916539 558521714 /nfs/dbraw/zinc/52/17/14/558521714.db2.gz RTSSDJPJULCNGL-INIZCTEOSA-N 1 0 406.357 4.181 50 0 HIAARO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010905063 558551089 /nfs/dbraw/zinc/55/10/89/558551089.db2.gz BQJXMQSHWBZJQP-UHFFFAOYSA-N 1 0 416.569 4.464 50 0 HIAARO CSc1nc2c3c(sc2c2nnc(SCC[NH+]4CCCC4)n21)CCCC3 ZINC000013656386 558559059 /nfs/dbraw/zinc/55/90/59/558559059.db2.gz FEPKGDQNWFLUAQ-UHFFFAOYSA-N 1 0 405.618 4.128 50 0 HIAARO FC(F)(F)c1ccc(NC(=S)N2CCC[N@H+](CCc3ccncc3)CC2)cc1 ZINC000013692809 558574186 /nfs/dbraw/zinc/57/41/86/558574186.db2.gz PJVDEBRGYYBKLJ-UHFFFAOYSA-N 1 0 408.493 4.048 50 0 HIAARO Cc1ccc(C)c(OCCC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000014022941 558614582 /nfs/dbraw/zinc/61/45/82/558614582.db2.gz AJSDCHVTKIXJMF-UHFFFAOYSA-N 1 0 410.514 4.152 50 0 HIAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000024838769 558616448 /nfs/dbraw/zinc/61/64/48/558616448.db2.gz PKCBKXAWVJXTAJ-UHFFFAOYSA-N 1 0 422.525 4.406 50 0 HIAARO CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccc(OC)cc1 ZINC000024897312 558619576 /nfs/dbraw/zinc/61/95/76/558619576.db2.gz PDVIDIDZOLTQGQ-UHFFFAOYSA-N 1 0 424.328 4.291 50 0 HIAARO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000025044170 558627758 /nfs/dbraw/zinc/62/77/58/558627758.db2.gz SDJGMJQCBLSEOZ-UHFFFAOYSA-N 1 0 423.532 4.491 50 0 HIAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)o1 ZINC000014746175 558669070 /nfs/dbraw/zinc/66/90/70/558669070.db2.gz JWZYMBUVNUBMQI-GOSISDBHSA-N 1 0 409.530 4.010 50 0 HIAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1nc3ccccc3s1)c1ccccc1O2 ZINC000027345436 558672227 /nfs/dbraw/zinc/67/22/27/558672227.db2.gz YDYZZWWDJWFRTP-KRWDZBQOSA-N 1 0 408.527 4.406 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1cccs1 ZINC000072271138 558673683 /nfs/dbraw/zinc/67/36/83/558673683.db2.gz VBXQPYDLOLEYSC-HNNXBMFYSA-N 1 0 414.556 4.486 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)c1cc(Cl)nc2ccccc21)[NH+]1CCCC1 ZINC000027571044 558675159 /nfs/dbraw/zinc/67/51/59/558675159.db2.gz DDMBEAPZUDZNRC-FQEVSTJZSA-N 1 0 409.917 4.464 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)Cc3ccc(C)cc3)CC2)c1 ZINC000014967101 558686057 /nfs/dbraw/zinc/68/60/57/558686057.db2.gz RSPCYEGZUZWGKA-LJQANCHMSA-N 1 0 422.569 4.370 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cn1 ZINC000014969749 558687062 /nfs/dbraw/zinc/68/70/62/558687062.db2.gz DVQXVRNSCMEVPJ-INIZCTEOSA-N 1 0 404.942 4.196 50 0 HIAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)Cc1ccccc1Cl ZINC000014976047 558689262 /nfs/dbraw/zinc/68/92/62/558689262.db2.gz XQHXAUXGTXJZEC-UHFFFAOYSA-N 1 0 402.941 4.435 50 0 HIAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2nc(Cc3ccccc3)no2)[C@H]2CCCC[C@@H]21 ZINC000014976841 558689477 /nfs/dbraw/zinc/68/94/77/558689477.db2.gz OHZLJIFJIRQVBP-WRALFONMSA-N 1 0 403.526 4.313 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1SC[C@H]1CCCO1 ZINC000028092763 558691066 /nfs/dbraw/zinc/69/10/66/558691066.db2.gz IVWKCDHNBIEFSJ-OAQYLSRUSA-N 1 0 410.583 4.484 50 0 HIAARO Cc1nn(C)c(Cl)c1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014981169 558691575 /nfs/dbraw/zinc/69/15/75/558691575.db2.gz AJTUOCJLDNRKRH-HXUWFJFHSA-N 1 0 409.018 4.018 50 0 HIAARO O=C(C[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCC2)NCCc1ccc(F)cc1 ZINC000028658900 558703181 /nfs/dbraw/zinc/70/31/81/558703181.db2.gz LNHPWWZOUUDHDW-DEOSSOPVSA-N 1 0 408.542 4.414 50 0 HIAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(Cl)c2N2CCOCC2)C1 ZINC000072277761 558703243 /nfs/dbraw/zinc/70/32/43/558703243.db2.gz BFMJEMDCAZXQLS-KRWDZBQOSA-N 1 0 423.001 4.199 50 0 HIAARO CC(C)c1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000015044160 558704336 /nfs/dbraw/zinc/70/43/36/558704336.db2.gz LYNDFFXGWPJBHK-GOSISDBHSA-N 1 0 423.557 4.044 50 0 HIAARO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000015063888 558706412 /nfs/dbraw/zinc/70/64/12/558706412.db2.gz YUGDNLDRJVRAPJ-LJQANCHMSA-N 1 0 411.546 4.122 50 0 HIAARO CC1(C)C[C@@H](C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)CCO1 ZINC000015063928 558706678 /nfs/dbraw/zinc/70/66/78/558706678.db2.gz GXPIDJAAOLVPRI-IBGZPJMESA-N 1 0 416.562 4.094 50 0 HIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 ZINC000015068689 558711273 /nfs/dbraw/zinc/71/12/73/558711273.db2.gz ATYUHABYIADXDK-NRFANRHFSA-N 1 0 420.557 4.319 50 0 HIAARO C[N@H+](C[C@@H](O)COc1cccc(CNCc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071657 558713208 /nfs/dbraw/zinc/71/32/08/558713208.db2.gz PGBQUNUGLIJDOY-HXUWFJFHSA-N 1 0 418.528 4.259 50 0 HIAARO Cc1ccccc1C[NH+]1CCN(Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1 ZINC000029499645 558716100 /nfs/dbraw/zinc/71/61/00/558716100.db2.gz XOIPBYNOUCWYIJ-UHFFFAOYSA-N 1 0 424.548 4.147 50 0 HIAARO O=C(COc1ccc(Oc2ccccn2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000029562970 558716766 /nfs/dbraw/zinc/71/67/66/558716766.db2.gz XIZPURKTORJNHL-UHFFFAOYSA-N 1 0 417.509 4.034 50 0 HIAARO Cc1cc(CN2CCN(c3cc(C)[nH+]c4ccc(OC(F)(F)F)cc43)CC2)no1 ZINC000072286168 558717060 /nfs/dbraw/zinc/71/70/60/558717060.db2.gz JRFLIWHBSWPCIF-UHFFFAOYSA-N 1 0 406.408 4.060 50 0 HIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cc(C)cc(C)c1 ZINC000015079178 558718071 /nfs/dbraw/zinc/71/80/71/558718071.db2.gz NKHSZQYHNGBZFT-UHFFFAOYSA-N 1 0 412.549 4.443 50 0 HIAARO COc1cc(CN(C)C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)ccc1OCc1ccccc1 ZINC000029725478 558719196 /nfs/dbraw/zinc/71/91/96/558719196.db2.gz ZTQIWKUZELCGLF-IBGZPJMESA-N 1 0 422.569 4.496 50 0 HIAARO CC(C)C[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@@H](C)C2 ZINC000004554473 558722133 /nfs/dbraw/zinc/72/21/33/558722133.db2.gz BROBFOHYQCOUCZ-CQSZACIVSA-N 1 0 417.550 4.448 50 0 HIAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000004554476 558722212 /nfs/dbraw/zinc/72/22/12/558722212.db2.gz UJDIRCFXVYKQCU-ZDUSSCGKSA-N 1 0 403.523 4.202 50 0 HIAARO COc1ccccc1-c1cc2nc(C)cc(N3CC[NH+](C4CCCCC4)CC3)n2n1 ZINC000015670910 558748300 /nfs/dbraw/zinc/74/83/00/558748300.db2.gz DMAPPNWMOFOULH-UHFFFAOYSA-N 1 0 405.546 4.168 50 0 HIAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094065 558759838 /nfs/dbraw/zinc/75/98/38/558759838.db2.gz PFMVTGZMBUMYRX-SPLOXXLWSA-N 1 0 418.921 4.434 50 0 HIAARO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339557 558786815 /nfs/dbraw/zinc/78/68/15/558786815.db2.gz JLWDFXHLWISJBH-OAQYLSRUSA-N 1 0 408.542 4.422 50 0 HIAARO COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C)c1O)[C@@H](C)N(C)CC2 ZINC000035618496 558794589 /nfs/dbraw/zinc/79/45/89/558794589.db2.gz PWFLHIQSZMYWPN-LSDHHAIUSA-N 1 0 412.530 4.300 50 0 HIAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC[NH+](C)C)C(=O)CC(C)C ZINC000036249317 558798772 /nfs/dbraw/zinc/79/87/72/558798772.db2.gz OHEUXGAXKCZVJM-UHFFFAOYSA-N 1 0 418.557 4.263 50 0 HIAARO Cc1cc(F)ccc1N1CCC([N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)CC1 ZINC000039420533 558821148 /nfs/dbraw/zinc/82/11/48/558821148.db2.gz GLUFRVSYBQVYNN-FQEVSTJZSA-N 1 0 401.570 4.218 50 0 HIAARO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2ccc(COC)o2)C[C@@]1(C)CO ZINC000019113265 558841884 /nfs/dbraw/zinc/84/18/84/558841884.db2.gz UFWOPXKBLKMBLM-WTNAPCKOSA-N 1 0 406.954 4.003 50 0 HIAARO CC(C)n1ncc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C(F)(F)F ZINC000109922127 558866734 /nfs/dbraw/zinc/86/67/34/558866734.db2.gz QQSCXZIMTGFTDX-UHFFFAOYSA-N 1 0 412.481 4.284 50 0 HIAARO 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ZINC000248113171 568747451 /nfs/dbraw/zinc/74/74/51/568747451.db2.gz RJQYPPOPVJNPBQ-QFIPXVFZSA-N 1 0 418.585 4.497 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000248172240 568747900 /nfs/dbraw/zinc/74/79/00/568747900.db2.gz SUORRLKZQASYBV-INIZCTEOSA-N 1 0 405.329 4.161 50 0 HIAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248167648 568747956 /nfs/dbraw/zinc/74/79/56/568747956.db2.gz PHBICHXNVNTSQH-FQEVSTJZSA-N 1 0 420.557 4.154 50 0 HIAARO CC(C)(CO)[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000248181058 568748245 /nfs/dbraw/zinc/74/82/45/568748245.db2.gz YPPAZFLCGDGCPD-UHFFFAOYSA-N 1 0 405.329 4.161 50 0 HIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000249694860 568748614 /nfs/dbraw/zinc/74/86/14/568748614.db2.gz PRBRLEODCXRSCB-GOSISDBHSA-N 1 0 410.949 4.238 50 0 HIAARO Cc1cc(COc2ccccc2OC[C@H](O)C[N@H+](Cc2ccccc2)C(C)C)on1 ZINC000096563805 568760653 /nfs/dbraw/zinc/76/06/53/568760653.db2.gz 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COc1ccc(C[NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936009 568830536 /nfs/dbraw/zinc/83/05/36/568830536.db2.gz PNUUMSFMETUGDF-ATIYNZHBSA-N 1 0 421.537 4.269 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1cccc(F)c1 ZINC000012522619 568842213 /nfs/dbraw/zinc/84/22/13/568842213.db2.gz HRDRHXJZAZQFLY-DEOSSOPVSA-N 1 0 414.484 4.469 50 0 HIAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000057568078 568854099 /nfs/dbraw/zinc/85/40/99/568854099.db2.gz ONMLBYSHJDAXBN-KRWDZBQOSA-N 1 0 403.482 4.237 50 0 HIAARO Cc1ccc([N+]2=C3SCCCN3C[C@]2(O)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000003239630 568866006 /nfs/dbraw/zinc/86/60/06/568866006.db2.gz YIHIRQBIRJSVKX-NRFANRHFSA-N 1 0 405.490 4.076 50 0 HIAARO O=C(Nc1cccc(N2CCC([NH2+]CC3(N4CCCCC4)CCCC3)CC2)c1)C1CC1 ZINC000299778938 568875016 /nfs/dbraw/zinc/87/50/16/568875016.db2.gz IWLULAMHUILFJY-UHFFFAOYSA-N 1 0 424.633 4.392 50 0 HIAARO CC[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000058163625 568895023 /nfs/dbraw/zinc/89/50/23/568895023.db2.gz GXJAVMYAEWMYFZ-OAQYLSRUSA-N 1 0 415.578 4.207 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000058954575 568934698 /nfs/dbraw/zinc/93/46/98/568934698.db2.gz LDXMHBLERWMAHX-DVBCCOPCSA-N 1 0 402.589 4.287 50 0 HIAARO COc1ccccc1OCCC(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000084705614 568956143 /nfs/dbraw/zinc/95/61/43/568956143.db2.gz RCHNPYXQXLBOJO-WOJBJXKFSA-N 1 0 410.558 4.079 50 0 HIAARO CCOC(=O)c1c2c(sc1NC(=O)c1cccc(F)c1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275290 568962351 /nfs/dbraw/zinc/96/23/51/568962351.db2.gz VNRPWNFJQIQVOM-UHFFFAOYSA-N 1 0 404.507 4.476 50 0 HIAARO CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000004275291 568962442 /nfs/dbraw/zinc/96/24/42/568962442.db2.gz WKPRHROXKVCVOB-UHFFFAOYSA-N 1 0 416.543 4.345 50 0 HIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000015679770 568966831 /nfs/dbraw/zinc/96/68/31/568966831.db2.gz GESHPUHGBVJZQW-UHFFFAOYSA-N 1 0 403.548 4.284 50 0 HIAARO C[N@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1OC(F)(F)F ZINC000012790933 568967805 /nfs/dbraw/zinc/96/78/05/568967805.db2.gz OXNMWEYKMCSJAY-UHFFFAOYSA-N 1 0 410.440 4.357 50 0 HIAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000015681417 568967925 /nfs/dbraw/zinc/96/79/25/568967925.db2.gz VIELJEVNWXCNSN-FQEVSTJZSA-N 1 0 419.573 4.274 50 0 HIAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@H+](Cc3ccco3)[C@H](C)CC)c21 ZINC000015727455 568978351 /nfs/dbraw/zinc/97/83/51/568978351.db2.gz YVXTYUNEAPOEEK-CQSZACIVSA-N 1 0 414.506 4.322 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000008316202 568990305 /nfs/dbraw/zinc/99/03/05/568990305.db2.gz PBBOACTVBJZFQL-UHFFFAOYSA-N 1 0 422.554 4.065 50 0 HIAARO Cc1nn(-c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)c(C)c1Cl ZINC000008344142 568993987 /nfs/dbraw/zinc/99/39/87/568993987.db2.gz LQIFJDGIURYKKS-IBGZPJMESA-N 1 0 412.921 4.302 50 0 HIAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000006086921 568997944 /nfs/dbraw/zinc/99/79/44/568997944.db2.gz NJKHRSJAFYFJLP-ZWKOTPCHSA-N 1 0 412.555 4.314 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000012849691 569010371 /nfs/dbraw/zinc/01/03/71/569010371.db2.gz GDOFOINTBMDLGH-QHCPKHFHSA-N 1 0 402.494 4.375 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000012877978 569013838 /nfs/dbraw/zinc/01/38/38/569013838.db2.gz VHESVQNFQGGDGA-HXUWFJFHSA-N 1 0 416.949 4.459 50 0 HIAARO COc1cc2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[nH]c2c(OC)c1 ZINC000012911990 569021826 /nfs/dbraw/zinc/02/18/26/569021826.db2.gz WIPYSXKMOZXESE-UHFFFAOYSA-N 1 0 407.514 4.101 50 0 HIAARO O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036397303 569048042 /nfs/dbraw/zinc/04/80/42/569048042.db2.gz LDALBWYMLKPNAA-UDFXALJUSA-N 1 0 413.521 4.065 50 0 HIAARO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H](C(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]21 ZINC000245256831 569055500 /nfs/dbraw/zinc/05/55/00/569055500.db2.gz UATZSLNVTLOJRD-GKXKVECMSA-N 1 0 422.528 4.471 50 0 HIAARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@H]34)CC2)c1 ZINC000245310110 569055686 /nfs/dbraw/zinc/05/56/86/569055686.db2.gz HWHLLITUISOPCT-APAYAGTCSA-N 1 0 424.585 4.276 50 0 HIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000026957909 569061588 /nfs/dbraw/zinc/06/15/88/569061588.db2.gz BXEHRHCXFNKIEX-UHFFFAOYSA-N 1 0 403.929 4.120 50 0 HIAARO CN(C[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421697 569061728 /nfs/dbraw/zinc/06/17/28/569061728.db2.gz BGETTWAMHRDTQJ-AREMUKBSSA-N 1 0 415.581 4.266 50 0 HIAARO O[C@@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1F ZINC000006587258 569067839 /nfs/dbraw/zinc/06/78/39/569067839.db2.gz IRKNYYFMXHQFLF-FPOVZHCZSA-N 1 0 404.485 4.468 50 0 HIAARO Cc1ccc(-c2cnc(Nc3cccc(C(=O)NCCC[NH+]4CCCC4)c3)nc2)cc1 ZINC000064605943 569071126 /nfs/dbraw/zinc/07/11/26/569071126.db2.gz PKKGOUIEWYQAJF-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c21 ZINC000006624321 569075533 /nfs/dbraw/zinc/07/55/33/569075533.db2.gz VRDGNIBEZYQITM-UHFFFAOYSA-N 1 0 424.541 4.432 50 0 biogenic HIAARO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCC[NH+]3CCCC3)n2)cc1 ZINC000064677228 569081054 /nfs/dbraw/zinc/08/10/54/569081054.db2.gz YCKGZHFWAYXNJR-UHFFFAOYSA-N 1 0 408.571 4.189 50 0 HIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036096137 569089606 /nfs/dbraw/zinc/08/96/06/569089606.db2.gz AJBCWJOBJFYYIJ-OAQYLSRUSA-N 1 0 401.547 4.300 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)c1OC ZINC000036103628 569092141 /nfs/dbraw/zinc/09/21/41/569092141.db2.gz PPPSRPNWFIMOAP-JOCHJYFZSA-N 1 0 407.510 4.146 50 0 HIAARO CCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301494 569127955 /nfs/dbraw/zinc/12/79/55/569127955.db2.gz SVFFDEIXIHYNPE-NRFANRHFSA-N 1 0 423.557 4.489 50 0 HIAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1N(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036301629 569127992 /nfs/dbraw/zinc/12/79/92/569127992.db2.gz KTUIZOGJDDJTSH-QHCPKHFHSA-N 1 0 420.601 4.215 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C1 ZINC000006809549 569133528 /nfs/dbraw/zinc/13/35/28/569133528.db2.gz VWIIVWRQISAIDK-FVJLSDCUSA-N 1 0 406.979 4.338 50 0 HIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955679 569133599 /nfs/dbraw/zinc/13/35/99/569133599.db2.gz ISTCMIWTTSJANY-UHFFFAOYSA-N 1 0 410.949 4.344 50 0 HIAARO CC1CC[NH+](Cc2ccc(NC(=O)c3nn(C)c4c3COc3ccccc3-4)cc2)CC1 ZINC000006817539 569138177 /nfs/dbraw/zinc/13/81/77/569138177.db2.gz QJFFGMJIVXUGIQ-UHFFFAOYSA-N 1 0 416.525 4.464 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341823 569141644 /nfs/dbraw/zinc/14/16/44/569141644.db2.gz LHUSIVTYHUMTPL-IERDGZPVSA-N 1 0 423.488 4.107 50 0 HIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036343381 569142797 /nfs/dbraw/zinc/14/27/97/569142797.db2.gz NORFVRZANSTFFI-JOCHJYFZSA-N 1 0 409.530 4.032 50 0 HIAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cc3)ccc21 ZINC000065026992 569155904 /nfs/dbraw/zinc/15/59/04/569155904.db2.gz VQACZTNOOJJBOS-IBGZPJMESA-N 1 0 419.569 4.257 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025598 569156461 /nfs/dbraw/zinc/15/64/61/569156461.db2.gz YFRRKVNSZCXPCY-UHFFFAOYSA-N 1 0 421.589 4.494 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(-n2c3ncccc3nc2-c2ccccc2)cc1 ZINC000006900741 569177627 /nfs/dbraw/zinc/17/76/27/569177627.db2.gz FOTNDVYKPLPOCM-UHFFFAOYSA-N 1 0 413.525 4.159 50 0 HIAARO CCn1cc(CC[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000065165023 569189395 /nfs/dbraw/zinc/18/93/95/569189395.db2.gz KRVNVRSOPJVGGD-UHFFFAOYSA-N 1 0 424.976 4.281 50 0 HIAARO O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)nc1 ZINC000065257021 569208503 /nfs/dbraw/zinc/20/85/03/569208503.db2.gz AJKPKASUTTWREU-NRFANRHFSA-N 1 0 424.907 4.495 50 0 HIAARO CCOc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000065257037 569208614 /nfs/dbraw/zinc/20/86/14/569208614.db2.gz LQJIOTVXUUOAFW-JOCHJYFZSA-N 1 0 416.525 4.101 50 0 HIAARO COc1ccc([C@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1OC ZINC000065298562 569219375 /nfs/dbraw/zinc/21/93/75/569219375.db2.gz PVUHSVJCOWYSNG-HXUWFJFHSA-N 1 0 423.557 4.134 50 0 HIAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000007142936 569226285 /nfs/dbraw/zinc/22/62/85/569226285.db2.gz BZSOVIRLFSQJNR-UGKGYDQZSA-N 1 0 403.526 4.094 50 0 HIAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000089827638 569266604 /nfs/dbraw/zinc/26/66/04/569266604.db2.gz OZOGCCQHKJHTID-UHFFFAOYSA-N 1 0 421.491 4.311 50 0 HIAARO COc1ccc(CCN(C(=O)c2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000000759556 569276773 /nfs/dbraw/zinc/27/67/73/569276773.db2.gz LWQRWVCCOBVUNU-RTWAWAEBSA-N 1 0 406.526 4.139 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000004058261 569279599 /nfs/dbraw/zinc/27/95/99/569279599.db2.gz FBGNFOLOPSHLEV-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252515541 569292153 /nfs/dbraw/zinc/29/21/53/569292153.db2.gz LFSRMIGYHJCRRK-NHCUHLMSSA-N 1 0 424.969 4.066 50 0 HIAARO Cc1cc(N2CCC(CNC(=O)c3cc(Br)ccc3Cl)CC2)cc[nH+]1 ZINC000253407935 569366234 /nfs/dbraw/zinc/36/62/34/569366234.db2.gz WWZPRALMSCJNBU-UHFFFAOYSA-N 1 0 422.754 4.452 50 0 HIAARO CC(C)CCn1ccc2c1cccc2OCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253411892 569366583 /nfs/dbraw/zinc/36/65/83/569366583.db2.gz PFZWJRVGKADQKP-RBBKRZOGSA-N 1 0 411.590 4.447 50 0 HIAARO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000253427363 569368424 /nfs/dbraw/zinc/36/84/24/569368424.db2.gz FJKSQLYGGBXSHJ-IBGZPJMESA-N 1 0 423.557 4.064 50 0 HIAARO Cc1noc(C)c1COc1ccccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000027594679 569375599 /nfs/dbraw/zinc/37/55/99/569375599.db2.gz QIJGYQLKEYWSAQ-OAQYLSRUSA-N 1 0 411.477 4.042 50 0 HIAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002375468 569389384 /nfs/dbraw/zinc/38/93/84/569389384.db2.gz YBNIKHCPJSLZSS-KRWDZBQOSA-N 1 0 419.525 4.236 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)c(OC)c1 ZINC000013363878 569412043 /nfs/dbraw/zinc/41/20/43/569412043.db2.gz JYXVTCOEAKNYCW-UHFFFAOYSA-N 1 0 411.546 4.354 50 0 HIAARO C[N@@H+]1C[C@H](Oc2cc(C(F)(F)F)ccn2)C[C@H]1CNc1cc(C(F)(F)F)ccn1 ZINC000328600097 569416342 /nfs/dbraw/zinc/41/63/42/569416342.db2.gz VQIODTABFSMZIP-UONOGXRCSA-N 1 0 420.357 4.078 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(CC[NH+](C)C)C3=O ZINC000008549533 571077993 /nfs/dbraw/zinc/07/79/93/571077993.db2.gz GHDJNLPFRJKUDN-HXUWFJFHSA-N 1 0 410.901 4.170 50 0 HIAARO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000008693809 571102316 /nfs/dbraw/zinc/10/23/16/571102316.db2.gz CYHBKMMUFASPIH-DEOSSOPVSA-N 1 0 409.476 4.490 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCc1cn2ccccc2n1)C1CCCCC1 ZINC000040105268 571165987 /nfs/dbraw/zinc/16/59/87/571165987.db2.gz WRXLBTQCMYNTRR-QFIPXVFZSA-N 1 0 420.557 4.154 50 0 HIAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000040142749 571193502 /nfs/dbraw/zinc/19/35/02/571193502.db2.gz HIJJVJCJIWDQGB-DEOSSOPVSA-N 1 0 416.569 4.134 50 0 HIAARO C[N@@H+]1CCCN(c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2F)CC1 ZINC000040145544 571195676 /nfs/dbraw/zinc/19/56/76/571195676.db2.gz PVUWRLDUBUFYHO-UHFFFAOYSA-N 1 0 412.534 4.149 50 0 HIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000245228642 571217929 /nfs/dbraw/zinc/21/79/29/571217929.db2.gz ANIOZVGTOILZGI-OYYPCOLYSA-N 1 0 423.041 4.296 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(F)cc1)N(CC[NH+](C)C)C3=O ZINC000009328233 571248300 /nfs/dbraw/zinc/24/83/00/571248300.db2.gz CHZLFMDDLZHTCY-LJQANCHMSA-N 1 0 414.864 4.001 50 0 HIAARO O=C(CNC(=O)Cc1cccc2ccccc21)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000069923757 571250003 /nfs/dbraw/zinc/25/00/03/571250003.db2.gz BVXJYJLLSMYVQW-UHFFFAOYSA-N 1 0 415.537 4.123 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000009377858 571253126 /nfs/dbraw/zinc/25/31/26/571253126.db2.gz PORUETWUMUILJZ-OAQYLSRUSA-N 1 0 410.521 4.200 50 0 HIAARO CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)c1 ZINC000009639654 571275473 /nfs/dbraw/zinc/27/54/73/571275473.db2.gz JLAKRUMXRMSPRW-UHFFFAOYSA-N 1 0 422.916 4.448 50 0 HIAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010214325 571296893 /nfs/dbraw/zinc/29/68/93/571296893.db2.gz CQNYMPRBIOMUEG-OAQYLSRUSA-N 1 0 407.514 4.059 50 0 HIAARO CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000010214571 571296981 /nfs/dbraw/zinc/29/69/81/571296981.db2.gz AIXGBBZVNOKDHN-OAQYLSRUSA-N 1 0 407.514 4.146 50 0 HIAARO COc1cc(OC)cc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010330533 571300456 /nfs/dbraw/zinc/30/04/56/571300456.db2.gz GDYMJTNUQPYGHM-XMMPIXPASA-N 1 0 404.510 4.424 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010333912 571300610 /nfs/dbraw/zinc/30/06/10/571300610.db2.gz NMGHZTZONHPRHK-QHCPKHFHSA-N 1 0 401.510 4.040 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333813 571300691 /nfs/dbraw/zinc/30/06/91/571300691.db2.gz PBLPBHWJGXWCSI-NRFANRHFSA-N 1 0 409.917 4.159 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1Cl ZINC000010333795 571300723 /nfs/dbraw/zinc/30/07/23/571300723.db2.gz JUQDBDDXSZBIDT-NRFANRHFSA-N 1 0 409.917 4.159 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1C ZINC000010334214 571300781 /nfs/dbraw/zinc/30/07/81/571300781.db2.gz JWWHIOPOWYCWKQ-DEOSSOPVSA-N 1 0 415.537 4.348 50 0 HIAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccc(Br)o1 ZINC000028305489 571307517 /nfs/dbraw/zinc/30/75/17/571307517.db2.gz FUGUCDIEKORUPD-UHFFFAOYSA-N 1 0 417.307 4.130 50 0 HIAARO Cc1ccc(CSc2nccc3c2ccn3CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000033298602 571316078 /nfs/dbraw/zinc/31/60/78/571316078.db2.gz YSENTGRFBATIFE-UHFFFAOYSA-N 1 0 422.598 4.239 50 0 HIAARO COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)CC1 ZINC000011662802 845823486 /nfs/dbraw/zinc/82/34/86/845823486.db2.gz NYLYUIANOCORKN-UHFFFAOYSA-N 1 0 423.488 4.072 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CC(F)(F)F)CC1 ZINC000011816516 845836254 /nfs/dbraw/zinc/83/62/54/845836254.db2.gz VQZRYLNBGHLCIS-FQEVSTJZSA-N 1 0 412.496 4.167 50 0 HIAARO COCCN(Cc1cccc(C(C)=O)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818793 845836911 /nfs/dbraw/zinc/83/69/11/845836911.db2.gz HCDRWVRXORMTAC-HSZRJFAPSA-N 1 0 420.597 4.217 50 0 HIAARO COCCN(Cc1cccc(C(C)=O)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818792 845837064 /nfs/dbraw/zinc/83/70/64/845837064.db2.gz HCDRWVRXORMTAC-QHCPKHFHSA-N 1 0 420.597 4.217 50 0 HIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011843864 845837890 /nfs/dbraw/zinc/83/78/90/845837890.db2.gz GWMHITXUWTZADL-QHCPKHFHSA-N 1 0 423.601 4.179 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CCCC3CCCC3)CC2)c1 ZINC000011841869 845837918 /nfs/dbraw/zinc/83/79/18/845837918.db2.gz VPSVCVAIIUJKRH-UHFFFAOYSA-N 1 0 400.563 4.401 50 0 HIAARO CCOc1ccc2nc(N3CCC[N@H+](Cc4cccc(C(C)=O)c4)CC3)nc(C)c2c1 ZINC000011841532 845838186 /nfs/dbraw/zinc/83/81/86/845838186.db2.gz SPKSLZIEVKOKDM-UHFFFAOYSA-N 1 0 418.541 4.252 50 0 HIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCN1CCCCC1=O ZINC000011933570 845841138 /nfs/dbraw/zinc/84/11/38/845841138.db2.gz IQCRIFXQFIHSTI-UHFFFAOYSA-N 1 0 424.495 4.228 50 0 HIAARO CCCC[C@H]1C[N@H+](CCC(=O)NCCCc2scnc2C)Cc2ccccc2O1 ZINC000011964830 845843907 /nfs/dbraw/zinc/84/39/07/845843907.db2.gz VMXUMIIFHCDACC-FQEVSTJZSA-N 1 0 415.603 4.344 50 0 HIAARO Cc1ccc2nc(C(=O)N(C)CC3CC[NH+](CCc4ccc(Cl)cc4)CC3)cn2c1 ZINC000012208501 845859557 /nfs/dbraw/zinc/85/95/57/845859557.db2.gz LAHZWSALEBSVNX-UHFFFAOYSA-N 1 0 424.976 4.323 50 0 HIAARO O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)C[C@@H]([NH2+]CC1CC1)CC3 ZINC000012281169 845865779 /nfs/dbraw/zinc/86/57/79/845865779.db2.gz MBUOMLSTOCGBLG-KRWDZBQOSA-N 1 0 418.566 4.039 50 0 HIAARO CSc1nc(C(=O)N2CCC[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]32)cs1 ZINC000012282571 845865826 /nfs/dbraw/zinc/86/58/26/845865826.db2.gz MUSJIRKMEDWEFT-QUCCMNQESA-N 1 0 415.628 4.424 50 0 HIAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3nc4ccccc4n3C)CC2)c1 ZINC000012303020 845867341 /nfs/dbraw/zinc/86/73/41/845867341.db2.gz JBHMSPAKFJWDDW-UHFFFAOYSA-N 1 0 406.530 4.213 50 0 HIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012433914 845870231 /nfs/dbraw/zinc/87/02/31/845870231.db2.gz SQJXGAZVGQRYPN-OAQYLSRUSA-N 1 0 411.509 4.476 50 0 HIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000012448139 845871234 /nfs/dbraw/zinc/87/12/34/845871234.db2.gz SPRRXNFYVBTYJA-QGZVFWFLSA-N 1 0 412.584 4.393 50 0 HIAARO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccc(Cl)cc3)[N@H+]3CCC[C@@]123 ZINC000013594826 845917240 /nfs/dbraw/zinc/91/72/40/845917240.db2.gz SLXWGUUHYCRUHN-GRWTVWFQSA-N 1 0 410.949 4.411 50 0 HIAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc4c3OCO4)CC2)cc1)N1CCCCC1 ZINC000014950002 845994409 /nfs/dbraw/zinc/99/44/09/845994409.db2.gz SJOMGWBOKRNHMD-UHFFFAOYSA-N 1 0 422.525 4.085 50 0 HIAARO COc1cccc(CC[NH2+]Cc2cc3c(OC)ccc(OC)c3nc2N2CCCC2)c1 ZINC000014985569 845997181 /nfs/dbraw/zinc/99/71/81/845997181.db2.gz LVFBCFPIGSNSFF-UHFFFAOYSA-N 1 0 421.541 4.193 50 0 HIAARO Cc1ccc(C(=O)N(Cc2cccc(OCC[NH+](C)C)c2)Cc2ccccn2)cc1 ZINC000015003222 845998959 /nfs/dbraw/zinc/99/89/59/845998959.db2.gz LHMKCNTYWJXPPA-UHFFFAOYSA-N 1 0 403.526 4.173 50 0 HIAARO c1cnc(Oc2ccc(C[NH2+]CC3(N4CCCCC4)Cc4ccccc4C3)cc2)nc1 ZINC000020996146 846398920 /nfs/dbraw/zinc/39/89/20/846398920.db2.gz FXNSJYDSOIAZLK-UHFFFAOYSA-N 1 0 414.553 4.382 50 0 HIAARO CCCC[N@H+](C)[C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000023478645 846705098 /nfs/dbraw/zinc/70/50/98/846705098.db2.gz QJOVCQSXTPFTQN-SFHVURJKSA-N 1 0 407.583 4.387 50 0 HIAARO CCOc1c(Cl)cc(/C=C\C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000096585380 852551469 /nfs/dbraw/zinc/55/14/69/852551469.db2.gz MSDHGZNDKRMDJW-ZBTAVZRMSA-N 1 0 414.933 4.151 50 0 HIAARO Cc1cc(-n2c(C)cc(/C=C\C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)no1 ZINC000098000754 852649042 /nfs/dbraw/zinc/64/90/42/852649042.db2.gz GGPMTDNDEULYGN-KTKRTIGZSA-N 1 0 418.541 4.185 50 0 HIAARO O=C(Cc1ccsc1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776750 853663613 /nfs/dbraw/zinc/66/36/13/853663613.db2.gz MKWXUSGPQJPASB-QHCPKHFHSA-N 1 0 424.610 4.495 50 0 HIAARO O=C(c1ccco1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776711 853663852 /nfs/dbraw/zinc/66/38/52/853663852.db2.gz HJZSLCPKLQMJMI-OAQYLSRUSA-N 1 0 412.505 4.237 50 0 HIAARO CC(C)[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000409419682 855483376 /nfs/dbraw/zinc/48/33/76/855483376.db2.gz FQPDGGUABVRMPL-FQEVSTJZSA-N 1 0 420.479 4.289 50 0 HIAARO Cn1cccc1C[N@@H+]1CC[C@H](Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1 ZINC000575313743 948642558 /nfs/dbraw/zinc/64/25/58/948642558.db2.gz NZAVJNCZURCHEK-QFIPXVFZSA-N 1 0 400.482 4.395 50 0 HIAARO O=C(C[NH+]1CCCCCC1)N1CCC(Cc2ccc(COc3ccncc3)cc2)CC1 ZINC000575551783 948676501 /nfs/dbraw/zinc/67/65/01/948676501.db2.gz HDBDFMJPSVFEHP-UHFFFAOYSA-N 1 0 421.585 4.318 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCN(C(=O)c2ncoc2-c2cccc(C)c2)C1 ZINC000575548040 948677172 /nfs/dbraw/zinc/67/71/72/948677172.db2.gz GDEOEAUJURRSIY-FQEVSTJZSA-N 1 0 420.513 4.136 50 0 HIAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000004711682 132285396 /nfs/dbraw/zinc/28/53/96/132285396.db2.gz XNTMSYKVJJCMNR-UHFFFAOYSA-N 1 0 423.557 4.165 50 0 HIAARO CSc1cccc(N2CC[NH+](CCCNC(=S)Nc3ccc(F)cc3)CC2)c1 ZINC000005065241 132300066 /nfs/dbraw/zinc/30/00/66/132300066.db2.gz BEJVCYTZJSCWPG-UHFFFAOYSA-N 1 0 418.607 4.046 50 0 HIAARO O=C(CCC1CC[NH+](C2CCN(c3ccc(Cl)cc3)CC2)CC1)N1CCCC1 ZINC000011665255 132348760 /nfs/dbraw/zinc/34/87/60/132348760.db2.gz XFOUXPMERSSPIC-UHFFFAOYSA-N 1 0 403.998 4.423 50 0 HIAARO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032902483 518669796 /nfs/dbraw/zinc/66/97/96/518669796.db2.gz BMEXOATWHPDHGI-VGSWGCGISA-N 1 0 423.944 4.108 50 0 HIAARO CC(C)Oc1c(Br)cc(Br)cc1CNCCC[NH+](C)C ZINC000040719650 519777583 /nfs/dbraw/zinc/77/75/83/519777583.db2.gz MNSFFPGNVDNSFI-UHFFFAOYSA-N 1 0 408.178 4.040 50 0 HIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1cccc(C)c1 ZINC000040744047 520717747 /nfs/dbraw/zinc/71/77/47/520717747.db2.gz HCKDRNUZWRLBIP-OAHLLOKOSA-N 1 0 408.336 4.206 50 0 HIAARO CC[NH+]1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1 ZINC000072476577 521688984 /nfs/dbraw/zinc/68/89/84/521688984.db2.gz SABRIKYJZDUXDK-UHFFFAOYSA-N 1 0 408.521 4.133 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1Cc1ccccc1Cl ZINC000032511711 521744955 /nfs/dbraw/zinc/74/49/55/521744955.db2.gz XLKQLHXDQRBCRM-URXFXBBRSA-N 1 0 421.972 4.362 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)CN1Cc1cccc2ccccc21 ZINC000032508983 521745036 /nfs/dbraw/zinc/74/50/36/521745036.db2.gz CSMLFRTYVCBUEX-AHWVRZQESA-N 1 0 415.581 4.325 50 0 HIAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000040720598 521997220 /nfs/dbraw/zinc/99/72/20/521997220.db2.gz PMMGKISZPDDFKE-UHFFFAOYSA-N 1 0 401.309 4.419 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccc(F)cc1 ZINC000032624346 522080138 /nfs/dbraw/zinc/08/01/38/522080138.db2.gz GIBIXWSQXLAAAY-JOCHJYFZSA-N 1 0 407.489 4.392 50 0 HIAARO COc1cc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc2c1OCCO2 ZINC000032904225 522160070 /nfs/dbraw/zinc/16/00/70/522160070.db2.gz QVMHTIOIHMPLST-UHFFFAOYSA-N 1 0 410.514 4.483 50 0 HIAARO CCc1cc2c(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2cc1O ZINC000032759546 523845064 /nfs/dbraw/zinc/84/50/64/523845064.db2.gz LHXXAYYJVVEAFD-XMMPIXPASA-N 1 0 409.482 4.319 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540520 523948753 /nfs/dbraw/zinc/94/87/53/523948753.db2.gz OYSYPWFNKAZTSN-OAQYLSRUSA-N 1 0 424.614 4.329 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000032870700 524624976 /nfs/dbraw/zinc/62/49/76/524624976.db2.gz XYCAXPDNIDPMAE-ROUUACIJSA-N 1 0 409.530 4.254 50 0 HIAARO Cc1c2ccc(OCCN3CC[NH+](C)CC3)cc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000020590834 525966715 /nfs/dbraw/zinc/96/67/15/525966715.db2.gz RIZJGHMOTNVXLK-UHFFFAOYSA-N 1 0 412.917 4.048 50 0 HIAARO Fc1cccc(Cl)c1COc1ccc(Cl)cc1C[NH2+]CCN1CCOCC1 ZINC000040720895 526390847 /nfs/dbraw/zinc/39/08/47/526390847.db2.gz OBQOHUFLYDJOFS-UHFFFAOYSA-N 1 0 413.320 4.133 50 0 HIAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616962 526393161 /nfs/dbraw/zinc/39/31/61/526393161.db2.gz ODZFQABHTLNYNH-UHFFFAOYSA-N 1 0 410.481 4.268 50 0 HIAARO OCC[NH2+]CCCNCc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040720774 527553807 /nfs/dbraw/zinc/55/38/07/527553807.db2.gz MTNBYPRZNQPKJA-UHFFFAOYSA-N 1 0 416.924 4.273 50 0 HIAARO COc1ccc(NC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034675838 557363596 /nfs/dbraw/zinc/36/35/96/557363596.db2.gz ASLMUUIIXMVLMZ-UHFFFAOYSA-N 1 0 416.525 4.426 50 0 HIAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000002734650 557373529 /nfs/dbraw/zinc/37/35/29/557373529.db2.gz LZVXMQSBBKKRHL-IBGZPJMESA-N 1 0 401.348 4.320 50 0 HIAARO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000004324612 557541521 /nfs/dbraw/zinc/54/15/21/557541521.db2.gz YBERAEMRXSFROV-UHFFFAOYSA-N 1 0 407.436 4.368 50 0 HIAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C)c1 ZINC000004763651 557595976 /nfs/dbraw/zinc/59/59/76/557595976.db2.gz AYEAEPQTAOPNLG-HSZRJFAPSA-N 1 0 416.562 4.247 50 0 HIAARO COc1cccc(CN2CC[N@@H+]([C@@H](C)CCc3c[nH]c4ccccc34)CCC2=O)c1 ZINC000011783797 558275435 /nfs/dbraw/zinc/27/54/35/558275435.db2.gz SJAYSYNPFYWTAJ-IBGZPJMESA-N 1 0 405.542 4.232 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000011786815 558276458 /nfs/dbraw/zinc/27/64/58/558276458.db2.gz UHZDQKPTTJLCGA-GOSISDBHSA-N 1 0 422.447 4.265 50 0 HIAARO O=C(NCc1cccs1)[C@@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011788086 558276651 /nfs/dbraw/zinc/27/66/51/558276651.db2.gz FUYAUAADASYHGD-FQEVSTJZSA-N 1 0 406.555 4.057 50 0 HIAARO Cn1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)c2ccccc21 ZINC000011790592 558277537 /nfs/dbraw/zinc/27/75/37/558277537.db2.gz QHEJTNVDUSPHDM-JOCHJYFZSA-N 1 0 417.553 4.122 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@@H](C)CCCC(C)(C)O ZINC000011819649 558282623 /nfs/dbraw/zinc/28/26/23/558282623.db2.gz MUVZUWRKIQFPIY-IBGZPJMESA-N 1 0 414.594 4.078 50 0 HIAARO COc1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019811887 558286966 /nfs/dbraw/zinc/28/69/66/558286966.db2.gz SVGHECGBMSXHRN-UHFFFAOYSA-N 1 0 400.522 4.226 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843471 558288359 /nfs/dbraw/zinc/28/83/59/558288359.db2.gz OSLNEOGOAPSNCS-NRFANRHFSA-N 1 0 412.574 4.099 50 0 HIAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000011873357 558291192 /nfs/dbraw/zinc/29/11/92/558291192.db2.gz WKYMHFKKLVLEIC-INIZCTEOSA-N 1 0 403.954 4.236 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cccc(-n2cccn2)c1 ZINC000011873305 558291283 /nfs/dbraw/zinc/29/12/83/558291283.db2.gz VXFGKUKTSYPLNB-UHFFFAOYSA-N 1 0 420.532 4.038 50 0 HIAARO O=C(NCc1ccsc1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011932758 558297684 /nfs/dbraw/zinc/29/76/84/558297684.db2.gz ZBGNFTIORGXVDL-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCN2CCOCC2)cc1 ZINC000019871698 558299758 /nfs/dbraw/zinc/29/97/58/558299758.db2.gz APDYLMVUISTGEZ-UHFFFAOYSA-N 1 0 408.517 4.370 50 0 HIAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]C5CCCC5)C4=O)cc3)sc2c1 ZINC000019890046 558302744 /nfs/dbraw/zinc/30/27/44/558302744.db2.gz DOWUFSWXDXXYON-IBGZPJMESA-N 1 0 405.523 4.436 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(OC)cc1 ZINC000012049538 558313509 /nfs/dbraw/zinc/31/35/09/558313509.db2.gz XIXOQFJULKQCDT-JOCHJYFZSA-N 1 0 412.549 4.180 50 0 HIAARO O=C(NC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012093442 558324750 /nfs/dbraw/zinc/32/47/50/558324750.db2.gz TUNFKGCZDDJPSB-NRFANRHFSA-N 1 0 402.542 4.082 50 0 HIAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000020109665 558334760 /nfs/dbraw/zinc/33/47/60/558334760.db2.gz KLOZWIJBVANOSY-NRFANRHFSA-N 1 0 402.966 4.334 50 0 HIAARO O=C(NCCCOc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cc1)[C@@H]1CCCO1 ZINC000012149829 558338548 /nfs/dbraw/zinc/33/85/48/558338548.db2.gz HFDJGLBSFMFEEA-VWLOTQADSA-N 1 0 420.553 4.040 50 0 HIAARO C=Cc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4ccc(OCC)cc34)CC2)cc1 ZINC000020177589 558344052 /nfs/dbraw/zinc/34/40/52/558344052.db2.gz AMEDRBCAYMCRJW-UHFFFAOYSA-N 1 0 404.510 4.153 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347216 /nfs/dbraw/zinc/34/72/16/558347216.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 1 0 418.585 4.472 50 0 HIAARO Cc1ccc2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)c(-c3cccc(Cl)c3)nc2c1 ZINC000012191163 558347590 /nfs/dbraw/zinc/34/75/90/558347590.db2.gz RVLDHCKATAQWPL-IBGZPJMESA-N 1 0 400.931 4.140 50 0 HIAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000012211357 558354138 /nfs/dbraw/zinc/35/41/38/558354138.db2.gz AAEVGUYFIUKOIH-HSZRJFAPSA-N 1 0 406.570 4.273 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn21 ZINC000020377160 558358790 /nfs/dbraw/zinc/35/87/90/558358790.db2.gz AVZFAPFELNJTEJ-KRWDZBQOSA-N 1 0 401.518 4.016 50 0 HIAARO COc1ccccc1CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000012245047 558361486 /nfs/dbraw/zinc/36/14/86/558361486.db2.gz PEHYHGSIJSXURW-HXUWFJFHSA-N 1 0 420.475 4.427 50 0 HIAARO COc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2C[NH+](C)C)cc1 ZINC000012281867 558365372 /nfs/dbraw/zinc/36/53/72/558365372.db2.gz WJFHSOIPIPBHLD-UHFFFAOYSA-N 1 0 404.510 4.119 50 0 HIAARO C[C@H](NC(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1)c1ccccc1 ZINC000020451416 558365797 /nfs/dbraw/zinc/36/57/97/558365797.db2.gz ASMVYMMPTIHPFE-FQEVSTJZSA-N 1 0 421.585 4.115 50 0 HIAARO O=C(CCC1CC[NH+](C2CSCCSC2)CC1)NCc1cccc(Cl)c1 ZINC000012297511 558367564 /nfs/dbraw/zinc/36/75/64/558367564.db2.gz TVOAEJCKVNEXLQ-UHFFFAOYSA-N 1 0 413.052 4.297 50 0 HIAARO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000020454328 558368254 /nfs/dbraw/zinc/36/82/54/558368254.db2.gz SUIIKFLFUGBNTI-IBGZPJMESA-N 1 0 402.485 4.249 50 0 HIAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000012301435 558371190 /nfs/dbraw/zinc/37/11/90/558371190.db2.gz YYFVSBLMXFAQQT-OAQYLSRUSA-N 1 0 405.542 4.211 50 0 HIAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000012308607 558376862 /nfs/dbraw/zinc/37/68/62/558376862.db2.gz VJCKUAZDJJNVNB-HXUWFJFHSA-N 1 0 405.542 4.211 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1 ZINC000012320641 558382328 /nfs/dbraw/zinc/38/23/28/558382328.db2.gz JPOIQFGDGJZUTB-UHFFFAOYSA-N 1 0 419.529 4.249 50 0 HIAARO CCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000012385473 558394438 /nfs/dbraw/zinc/39/44/38/558394438.db2.gz KOQDDAVYGGDUDW-UHFFFAOYSA-N 1 0 407.543 4.013 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)c1cccnc1 ZINC000012471464 558422077 /nfs/dbraw/zinc/42/20/77/558422077.db2.gz RHANNHBNTUQPGR-NSCUHMNNSA-N 1 0 405.477 4.020 50 0 HIAARO C[C@H](COc1ccccc1)[NH+]1CCC(Oc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000012472848 558422379 /nfs/dbraw/zinc/42/23/79/558422379.db2.gz NAELFVMSQQKCIW-HXUWFJFHSA-N 1 0 408.542 4.233 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@@H](C)Cn2nc(C)cc2C)CC1 ZINC000012572915 558429739 /nfs/dbraw/zinc/42/97/39/558429739.db2.gz OSXCKNYUGLWMJL-NRFANRHFSA-N 1 0 413.562 4.003 50 0 HIAARO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)cc2c1OCO2 ZINC000012574865 558430643 /nfs/dbraw/zinc/43/06/43/558430643.db2.gz GWJGOOCBDFZATB-HXUWFJFHSA-N 1 0 405.498 4.394 50 0 HIAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(OC)cc2)C[C@@]1(C)CO ZINC000012581264 558432604 /nfs/dbraw/zinc/43/26/04/558432604.db2.gz LFNWIZVGFIWYKW-OIBXWCBGSA-N 1 0 402.966 4.272 50 0 HIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000012587019 558434400 /nfs/dbraw/zinc/43/44/00/558434400.db2.gz FRPUIPAYGFUHCP-UHFFFAOYSA-N 1 0 419.510 4.197 50 0 HIAARO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCCO1 ZINC000012589320 558435010 /nfs/dbraw/zinc/43/50/10/558435010.db2.gz RKYODAQITQCKCD-OAQYLSRUSA-N 1 0 405.498 4.269 50 0 HIAARO COc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012589143 558435132 /nfs/dbraw/zinc/43/51/32/558435132.db2.gz UIPOSLCDOVPWNO-UHFFFAOYSA-N 1 0 408.542 4.366 50 0 HIAARO COc1ccc(/C=C/C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000012596246 558438041 /nfs/dbraw/zinc/43/80/41/558438041.db2.gz WFGGDYNKLZGTMA-VOTSOKGWSA-N 1 0 420.553 4.488 50 0 HIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccn1Cc1ccccc1F)C1CC1 ZINC000004357411 558445678 /nfs/dbraw/zinc/44/56/78/558445678.db2.gz RSLSIIKVCZDYQB-HSZRJFAPSA-N 1 0 408.517 4.388 50 0 HIAARO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452748 /nfs/dbraw/zinc/45/27/48/558452748.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 1 0 414.565 4.103 50 0 HIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1OC ZINC000004359592 558456586 /nfs/dbraw/zinc/45/65/86/558456586.db2.gz WJXGYKOPMFIBLU-UHFFFAOYSA-N 1 0 417.506 4.051 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ccccc1 ZINC000012755712 558460148 /nfs/dbraw/zinc/46/01/48/558460148.db2.gz FKNNOEYULUJQSN-HXUWFJFHSA-N 1 0 400.563 4.331 50 0 HIAARO Cc1cc(Br)cc(Cl)c1OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010813619 558460535 /nfs/dbraw/zinc/46/05/35/558460535.db2.gz XXDAVELOTGXJBJ-UHFFFAOYSA-N 1 0 417.775 4.215 50 0 HIAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000022074112 558462136 /nfs/dbraw/zinc/46/21/36/558462136.db2.gz DMXJAGGYBYMCLJ-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000022785024 558510751 /nfs/dbraw/zinc/51/07/51/558510751.db2.gz BKRWBDPITHAZNA-LSDHHAIUSA-N 1 0 406.473 4.070 50 0 HIAARO COc1ccccc1-c1noc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000022786674 558511028 /nfs/dbraw/zinc/51/10/28/558511028.db2.gz YAWIACAWUXWUOC-UHFFFAOYSA-N 1 0 414.509 4.216 50 0 HIAARO O=C(CN1CC[n+]2c(-c3cccs3)csc21)c1ccc(Br)cc1 ZINC000013154431 558524305 /nfs/dbraw/zinc/52/43/05/558524305.db2.gz UIIZXPQDFODNDO-UHFFFAOYSA-N 1 0 406.350 4.230 50 0 HIAARO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000023098462 558534087 /nfs/dbraw/zinc/53/40/87/558534087.db2.gz VAQCIGJRFXSRTJ-IBGZPJMESA-N 1 0 404.938 4.244 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023882072 558579827 /nfs/dbraw/zinc/57/98/27/558579827.db2.gz PRVACZDAEYPVRJ-KRWDZBQOSA-N 1 0 416.978 4.296 50 0 HIAARO CCCCOCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013720222 558581416 /nfs/dbraw/zinc/58/14/16/558581416.db2.gz VBTQJLQKYFGJRL-UHFFFAOYSA-N 1 0 414.546 4.318 50 0 HIAARO COc1ccc(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000034697784 558584429 /nfs/dbraw/zinc/58/44/29/558584429.db2.gz PYCUIRZDWKZISE-NOZRDPDXSA-N 1 0 406.570 4.274 50 0 HIAARO CCOc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccccc1Cl ZINC000013736679 558588831 /nfs/dbraw/zinc/58/88/31/558588831.db2.gz NQVZHIHQCVOIEN-UHFFFAOYSA-N 1 0 418.965 4.130 50 0 HIAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000013758904 558590988 /nfs/dbraw/zinc/59/09/88/558590988.db2.gz QPJHFYHVBGKHGY-QLBJFCOMSA-N 1 0 408.542 4.310 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccc(F)c1 ZINC000014183547 558629147 /nfs/dbraw/zinc/62/91/47/558629147.db2.gz SVOOXACVMGZXCY-IBGZPJMESA-N 1 0 411.502 4.172 50 0 HIAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000025329360 558638471 /nfs/dbraw/zinc/63/84/71/558638471.db2.gz VXHJUMZOMLNTCQ-VWLOTQADSA-N 1 0 420.528 4.115 50 0 HIAARO Cc1noc2nc(-c3ccccc3F)cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)c12 ZINC000025331768 558638606 /nfs/dbraw/zinc/63/86/06/558638606.db2.gz WXBHXCVATGZMNL-LJQANCHMSA-N 1 0 424.501 4.432 50 0 HIAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014537293 558658784 /nfs/dbraw/zinc/65/87/84/558658784.db2.gz CMNWEUGLOXRTCR-LEWJYISDSA-N 1 0 410.533 4.402 50 0 HIAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)CC1 ZINC000027662217 558678158 /nfs/dbraw/zinc/67/81/58/558678158.db2.gz XERSUPFOEZGKGD-QFIPXVFZSA-N 1 0 413.993 4.356 50 0 HIAARO C[C@H](COc1ccccc1)[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000014948067 558679936 /nfs/dbraw/zinc/67/99/36/558679936.db2.gz AWKWTSKRVARGSD-HXUWFJFHSA-N 1 0 408.542 4.233 50 0 HIAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000014948372 558680350 /nfs/dbraw/zinc/68/03/50/558680350.db2.gz OURBPVDLSMVQQP-IBGZPJMESA-N 1 0 414.521 4.136 50 0 HIAARO COc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027747073 558681455 /nfs/dbraw/zinc/68/14/55/558681455.db2.gz VMLDCQVHTKXXHJ-QFIPXVFZSA-N 1 0 416.949 4.461 50 0 HIAARO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027747516 558681530 /nfs/dbraw/zinc/68/15/30/558681530.db2.gz JMEUGNXCPMEOFK-FCHUYYIVSA-N 1 0 414.521 4.335 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1)NCc1ccc(F)cc1 ZINC000014959139 558683279 /nfs/dbraw/zinc/68/32/79/558683279.db2.gz XSRIUYDFDQIBLJ-UHFFFAOYSA-N 1 0 412.534 4.139 50 0 HIAARO COc1cccc(CN2CC[N@@H+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 ZINC000014961783 558684275 /nfs/dbraw/zinc/68/42/75/558684275.db2.gz KFLPMHHUZYJGKF-KRWDZBQOSA-N 1 0 420.475 4.380 50 0 HIAARO Cc1ncoc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000014963111 558684795 /nfs/dbraw/zinc/68/47/95/558684795.db2.gz VJLUANJOYHOHCP-QGZVFWFLSA-N 1 0 409.452 4.029 50 0 HIAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCCO1 ZINC000014972531 558688173 /nfs/dbraw/zinc/68/81/73/558688173.db2.gz ILXLHNJEVVYJAK-JOCHJYFZSA-N 1 0 419.525 4.328 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027995422 558689230 /nfs/dbraw/zinc/68/92/30/558689230.db2.gz FAAVQYYHWTYWAI-UZLBHIALSA-N 1 0 402.922 4.069 50 0 HIAARO Oc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000014978166 558689987 /nfs/dbraw/zinc/68/99/87/558689987.db2.gz GPRNNWLCCXXMLW-UHFFFAOYSA-N 1 0 413.477 4.306 50 0 HIAARO O=C(CCc1cccs1)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014990441 558693971 /nfs/dbraw/zinc/69/39/71/558693971.db2.gz DYDGZGNHYMHJIX-HSZRJFAPSA-N 1 0 406.551 4.433 50 0 HIAARO CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292684 558698326 /nfs/dbraw/zinc/69/83/26/558698326.db2.gz AESUFKSKGZYCNG-OAQYLSRUSA-N 1 0 404.510 4.312 50 0 HIAARO O=C1CC[N@@H+](Cc2cccc3ccccc32)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000015003679 558698512 /nfs/dbraw/zinc/69/85/12/558698512.db2.gz GTVXKOWTGMMHJQ-UHFFFAOYSA-N 1 0 422.912 4.456 50 0 HIAARO CC(C)(C)CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015067409 558710213 /nfs/dbraw/zinc/71/02/13/558710213.db2.gz ITYMRVWFSHFJJV-NRFANRHFSA-N 1 0 404.570 4.482 50 0 HIAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)c(C)o2)cc1C ZINC000015068131 558710655 /nfs/dbraw/zinc/71/06/55/558710655.db2.gz BDSSNHMRGCJQNN-UHFFFAOYSA-N 1 0 411.546 4.192 50 0 HIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000015068706 558711158 /nfs/dbraw/zinc/71/11/58/558711158.db2.gz CXXDZTOKEFLCEA-QFIPXVFZSA-N 1 0 416.569 4.207 50 0 HIAARO COc1c(Br)cc(Br)cc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000072302068 558752681 /nfs/dbraw/zinc/75/26/81/558752681.db2.gz NUWPKLSGBZPMCY-UHFFFAOYSA-N 1 0 423.145 4.042 50 0 HIAARO CCS[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000072303491 558755976 /nfs/dbraw/zinc/75/59/76/558755976.db2.gz GLIYGQSVFUSNAY-SCTDSRPQSA-N 1 0 400.510 4.231 50 0 HIAARO Cc1noc(C(F)(F)F)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000072306895 558766043 /nfs/dbraw/zinc/76/60/43/558766043.db2.gz ZGETYGLROJSBTR-ZDUSSCGKSA-N 1 0 401.454 4.266 50 0 HIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195517 558778062 /nfs/dbraw/zinc/77/80/62/558778062.db2.gz WCANVNYOHRNYQH-KRWDZBQOSA-N 1 0 424.310 4.444 50 0 HIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195519 558778097 /nfs/dbraw/zinc/77/80/97/558778097.db2.gz WCANVNYOHRNYQH-QGZVFWFLSA-N 1 0 424.310 4.444 50 0 HIAARO CCCCc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017090851 558819607 /nfs/dbraw/zinc/81/96/07/558819607.db2.gz SSNYZHKLALMLBR-UHFFFAOYSA-N 1 0 416.631 4.304 50 0 HIAARO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000019227092 558852831 /nfs/dbraw/zinc/85/28/31/558852831.db2.gz QELYFZPENKUXHQ-QGZVFWFLSA-N 1 0 409.486 4.142 50 0 HIAARO CCOc1ccc(-c2n[nH]cc2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000072328712 558864294 /nfs/dbraw/zinc/86/42/94/558864294.db2.gz OXVQLOQZYPFQAW-UHFFFAOYSA-N 1 0 416.953 4.219 50 0 HIAARO O=C(CCCCc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055182610 558875026 /nfs/dbraw/zinc/87/50/26/558875026.db2.gz WAZWLKZOZHHAMK-RUZDIDTESA-N 1 0 405.586 4.213 50 0 HIAARO O=C(CCCCc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055182609 558875057 /nfs/dbraw/zinc/87/50/57/558875057.db2.gz WAZWLKZOZHHAMK-VWLOTQADSA-N 1 0 405.586 4.213 50 0 HIAARO c1ccc(C[N@H+]2CCC[C@]3(CCCN(Cc4nc(-c5ccccn5)no4)C3)C2)cc1 ZINC000055198859 558875674 /nfs/dbraw/zinc/87/56/74/558875674.db2.gz XKAYWHFLISPUOD-DEOSSOPVSA-N 1 0 403.530 4.010 50 0 HIAARO O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055370146 558880443 /nfs/dbraw/zinc/88/04/43/558880443.db2.gz KDYZICINLLUPSL-NRFANRHFSA-N 1 0 417.475 4.132 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033129623 558885491 /nfs/dbraw/zinc/88/54/91/558885491.db2.gz FEUVZWXEAUGWLK-UHFFFAOYSA-N 1 0 408.477 4.149 50 0 HIAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C[C@H](C)O1 ZINC000058005483 558894464 /nfs/dbraw/zinc/89/44/64/558894464.db2.gz CILCPTKESVBLBU-SFTDATJTSA-N 1 0 422.569 4.355 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000058144014 558901702 /nfs/dbraw/zinc/90/17/02/558901702.db2.gz LDWIAAMFOZJNJG-UHFFFAOYSA-N 1 0 406.570 4.427 50 0 HIAARO COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000058163623 558906530 /nfs/dbraw/zinc/90/65/30/558906530.db2.gz DDTVUMCHIAIMOI-GOSISDBHSA-N 1 0 403.567 4.062 50 0 HIAARO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000058166310 558906963 /nfs/dbraw/zinc/90/69/63/558906963.db2.gz KANCDZUVIJWIAE-UHFFFAOYSA-N 1 0 406.313 4.023 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc2ccccc21 ZINC000058169309 558907829 /nfs/dbraw/zinc/90/78/29/558907829.db2.gz LKSDQROBRMTZIX-AWEZNQCLSA-N 1 0 407.539 4.168 50 0 HIAARO Cc1cccc(-c2cc(Nc3cccc(C(=O)NCC[NH+]4CCCCC4)c3)ncn2)c1 ZINC000033260923 558926463 /nfs/dbraw/zinc/92/64/63/558926463.db2.gz QBEXEZAJSUUHDX-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000072424787 558978902 /nfs/dbraw/zinc/97/89/02/558978902.db2.gz RBEQYYQQGJVPBQ-GOSISDBHSA-N 1 0 408.521 4.131 50 0 HIAARO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031445 558985388 /nfs/dbraw/zinc/98/53/88/558985388.db2.gz GEGIDCCXASQQMS-OXJNMPFZSA-N 1 0 402.995 4.004 50 0 HIAARO Cc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4F)CC3)n2)c1 ZINC000067614257 558989564 /nfs/dbraw/zinc/98/95/64/558989564.db2.gz FVIXIEZOWUHXBN-UHFFFAOYSA-N 1 0 422.504 4.055 50 0 HIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022467448 558996143 /nfs/dbraw/zinc/99/61/43/558996143.db2.gz ANIOZVGTOILZGI-OTUUDDROSA-N 1 0 423.041 4.296 50 0 HIAARO CCOc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1OCC ZINC000023128065 559016303 /nfs/dbraw/zinc/01/63/03/559016303.db2.gz HMFIRBJZTZXMJH-UHFFFAOYSA-N 1 0 402.560 4.188 50 0 HIAARO O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033278883 559042254 /nfs/dbraw/zinc/04/22/54/559042254.db2.gz CIYBTWXMPWIHHZ-UHFFFAOYSA-N 1 0 416.525 4.494 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000023211971 559059060 /nfs/dbraw/zinc/05/90/60/559059060.db2.gz ZYVQQWOCZZCERM-HXUWFJFHSA-N 1 0 402.966 4.334 50 0 HIAARO CS(=O)(=O)N[C@H](c1ccccc1)[C@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000098074326 559126828 /nfs/dbraw/zinc/12/68/28/559126828.db2.gz FYFQWMUFYKBVCE-DNQXCXABSA-N 1 0 408.567 4.241 50 0 HIAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023387383 559173781 /nfs/dbraw/zinc/17/37/81/559173781.db2.gz JTWXHVVIINEFQJ-FQEVSTJZSA-N 1 0 422.491 4.391 50 0 HIAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)c1C ZINC000035372556 559178387 /nfs/dbraw/zinc/17/83/87/559178387.db2.gz KBIBDRZYNGGJAN-UHFFFAOYSA-N 1 0 420.582 4.298 50 0 HIAARO CCOc1cc(C[NH2+]CCOc2ccccn2)cc(Br)c1OC(C)C ZINC000113395671 559179846 /nfs/dbraw/zinc/17/98/46/559179846.db2.gz OODIIAUEFWGDPZ-UHFFFAOYSA-N 1 0 409.324 4.199 50 0 HIAARO CCCOc1c(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)cc1OC ZINC000113399175 559180547 /nfs/dbraw/zinc/18/05/47/559180547.db2.gz HJHQJOTYAYBXEU-UHFFFAOYSA-N 1 0 418.335 4.455 50 0 HIAARO O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199195 559189897 /nfs/dbraw/zinc/18/98/97/559189897.db2.gz WDHMIBFAAGQCCY-VTAPXXACSA-N 1 0 408.571 4.173 50 0 HIAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000004888790 559197761 /nfs/dbraw/zinc/19/77/61/559197761.db2.gz QPAYQFBORIQOID-QFIPXVFZSA-N 1 0 421.541 4.448 50 0 HIAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)cc1OC ZINC000004936134 559210732 /nfs/dbraw/zinc/21/07/32/559210732.db2.gz PMVQUGKEPMRLPK-NRFANRHFSA-N 1 0 421.541 4.448 50 0 HIAARO CCn1c2ccccc2c2sc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2c1=O ZINC000004939087 559211674 /nfs/dbraw/zinc/21/16/74/559211674.db2.gz ZKASZIKRZDGTCO-UHFFFAOYSA-N 1 0 411.571 4.088 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)sc3c2c1 ZINC000004950729 559215735 /nfs/dbraw/zinc/21/57/35/559215735.db2.gz XQFQRXKBLWJNGX-IYBDPMFKSA-N 1 0 411.571 4.149 50 0 HIAARO COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000005092280 559244052 /nfs/dbraw/zinc/24/40/52/559244052.db2.gz BQKLTGSNVSKETD-JOCHJYFZSA-N 1 0 421.541 4.448 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1OC ZINC000011816490 559260365 /nfs/dbraw/zinc/26/03/65/559260365.db2.gz CFCFPMZMLMSGBT-XMMPIXPASA-N 1 0 412.530 4.042 50 0 HIAARO COc1cc2nc(N(C)C)c(C[NH2+]Cc3cccc(Cl)c3)cc2c(OC)c1OC ZINC000011881714 559265122 /nfs/dbraw/zinc/26/51/22/559265122.db2.gz JTGXOQKPFIZFFR-UHFFFAOYSA-N 1 0 415.921 4.270 50 0 HIAARO COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[N@H+](C)CC3)n2)c1 ZINC000061997357 560564964 /nfs/dbraw/zinc/56/49/64/560564964.db2.gz CIZAOGIXICOIBR-UHFFFAOYSA-N 1 0 415.497 4.102 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3C=C12 ZINC000061992858 560568634 /nfs/dbraw/zinc/56/86/34/560568634.db2.gz VNTROCQKDUQNCB-YVEYGYBNSA-N 1 0 412.549 4.262 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)cc1 ZINC000005512451 560601244 /nfs/dbraw/zinc/60/12/44/560601244.db2.gz YUCXZHIMALSDNR-HXUWFJFHSA-N 1 0 417.347 4.415 50 0 biogenic HIAARO O=C(C[NH2+]Cc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000003136722 560724042 /nfs/dbraw/zinc/72/40/42/560724042.db2.gz KPQMXSWSRLSFDN-UHFFFAOYSA-N 1 0 402.317 4.301 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000103776584 560844361 /nfs/dbraw/zinc/84/43/61/560844361.db2.gz VUYGIQSPVVCKRS-IEBWSBKVSA-N 1 0 410.461 4.010 50 0 HIAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000020608078 560885904 /nfs/dbraw/zinc/88/59/04/560885904.db2.gz UMSCLUYUTVOITQ-HSZRJFAPSA-N 1 0 415.541 4.026 50 0 HIAARO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032200 568424637 /nfs/dbraw/zinc/42/46/37/568424637.db2.gz NUMNAVBVRXNLGZ-UHFFFAOYSA-N 1 0 400.523 4.360 50 0 HIAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032481 568424707 /nfs/dbraw/zinc/42/47/07/568424707.db2.gz AJYFIVQFZNMHDA-UHFFFAOYSA-N 1 0 414.575 4.259 50 0 HIAARO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)cc2)n1 ZINC000048277608 568435697 /nfs/dbraw/zinc/43/56/97/568435697.db2.gz VRVLZYDAOMRRDN-UHFFFAOYSA-N 1 0 421.520 4.414 50 0 HIAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000048341248 568440362 /nfs/dbraw/zinc/44/03/62/568440362.db2.gz MNNOYICWPVJMDY-MGPQQGTHSA-N 1 0 424.916 4.385 50 0 HIAARO O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000012315342 568466833 /nfs/dbraw/zinc/46/68/33/568466833.db2.gz AVAFLUGBZBRODH-QFIPXVFZSA-N 1 0 406.526 4.024 50 0 HIAARO COc1ccc([C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1OC ZINC000604403937 568492285 /nfs/dbraw/zinc/49/22/85/568492285.db2.gz FFHNLCCMOAAXKP-MZKRTTBSSA-N 1 0 417.594 4.307 50 0 HIAARO COc1cc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)cc(OC)c1O ZINC000000819076 568496682 /nfs/dbraw/zinc/49/66/82/568496682.db2.gz JWFVFWKAKWAARI-UHFFFAOYSA-N 1 0 418.291 4.185 50 0 HIAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)c2cccnc2)CC1 ZINC000020192368 568593676 /nfs/dbraw/zinc/59/36/76/568593676.db2.gz GQQYPACXCGWKJG-OAQYLSRUSA-N 1 0 424.570 4.332 50 0 HIAARO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020347336 568599439 /nfs/dbraw/zinc/59/94/39/568599439.db2.gz DPRDNKDXRHRNMD-FQEVSTJZSA-N 1 0 402.966 4.199 50 0 HIAARO COc1ccc(C[NH+]2CCC(NC(=O)COc3ccc(C(C)C)cc3)CC2)cc1F ZINC000095365189 568601983 /nfs/dbraw/zinc/60/19/83/568601983.db2.gz WZFRFRZOATUWCG-UHFFFAOYSA-N 1 0 414.521 4.117 50 0 HIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000095393363 568604213 /nfs/dbraw/zinc/60/42/13/568604213.db2.gz VRSLJJMQJJJELN-PMACEKPBSA-N 1 0 405.380 4.323 50 0 HIAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000095397782 568604604 /nfs/dbraw/zinc/60/46/04/568604604.db2.gz STUZMMPVEPMLFH-INIZCTEOSA-N 1 0 417.347 4.170 50 0 HIAARO CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446446 568612005 /nfs/dbraw/zinc/61/20/05/568612005.db2.gz ZRAOIVLDVHSHPI-PMACEKPBSA-N 1 0 410.965 4.280 50 0 HIAARO Cn1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000020485150 568612932 /nfs/dbraw/zinc/61/29/32/568612932.db2.gz BNAWLWVUWUFKPI-UHFFFAOYSA-N 1 0 418.566 4.087 50 0 HIAARO C[NH+]1CCN(CCc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457785 568618659 /nfs/dbraw/zinc/61/86/59/568618659.db2.gz XWTDBUHFUKATNV-IZZNHLLZSA-N 1 0 413.565 4.372 50 0 HIAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4ccccc4C)ccc3n2C(C)C)CC1 ZINC000020608873 568636861 /nfs/dbraw/zinc/63/68/61/568636861.db2.gz ZZVGXBUGQXCANJ-UHFFFAOYSA-N 1 0 419.573 4.315 50 0 HIAARO O=C(c1nnc(Cc2ccc(Cl)cc2Cl)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020851681 568645021 /nfs/dbraw/zinc/64/50/21/568645021.db2.gz GDURHJSKHNAZMJ-UHFFFAOYSA-N 1 0 423.344 4.058 50 0 HIAARO O=C1[C@@H]([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CCCN1c1ccccc1Cl ZINC000095968506 568670691 /nfs/dbraw/zinc/67/06/91/568670691.db2.gz IBKDXQCPXPALGQ-NRFANRHFSA-N 1 0 415.940 4.229 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021148199 568671940 /nfs/dbraw/zinc/67/19/40/568671940.db2.gz KDFAJTJSIKTAOD-VWNXMTODSA-N 1 0 419.569 4.029 50 0 HIAARO Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)cc1Cl ZINC000021171864 568676374 /nfs/dbraw/zinc/67/63/74/568676374.db2.gz QHUKTFSYIZOSOY-KRWDZBQOSA-N 1 0 410.949 4.470 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000021174854 568676948 /nfs/dbraw/zinc/67/69/48/568676948.db2.gz RNJGJUUGRVREQX-UHFFFAOYSA-N 1 0 401.894 4.102 50 0 HIAARO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](c3cccnc3)C3CC3)[C@H](c3ccco3)C2)cc1 ZINC000096012834 568685191 /nfs/dbraw/zinc/68/51/91/568685191.db2.gz PJUBRVCJUUJDIC-DHLKQENFSA-N 1 0 414.509 4.402 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000000858791 568713484 /nfs/dbraw/zinc/71/34/84/568713484.db2.gz YTILIDHNOSRDBJ-HXUWFJFHSA-N 1 0 421.372 4.304 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445144 568726054 /nfs/dbraw/zinc/72/60/54/568726054.db2.gz HBSDGYCMKJUUGD-XMMPIXPASA-N 1 0 408.521 4.199 50 0 HIAARO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231090 568730849 /nfs/dbraw/zinc/73/08/49/568730849.db2.gz KRVZTXPWPJALAL-LRDDRELGSA-N 1 0 413.349 4.376 50 0 HIAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCCCC1 ZINC000247867729 568745836 /nfs/dbraw/zinc/74/58/36/568745836.db2.gz PHJXUZBKCIBVRC-IBGZPJMESA-N 1 0 420.532 4.389 50 0 HIAARO CC(C)N(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247950700 568746099 /nfs/dbraw/zinc/74/60/99/568746099.db2.gz BYPSXYWZUCXQKB-SFHVURJKSA-N 1 0 408.521 4.243 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000248172242 568747934 /nfs/dbraw/zinc/74/79/34/568747934.db2.gz SUORRLKZQASYBV-MRXNPFEDSA-N 1 0 405.329 4.161 50 0 HIAARO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cc(C)ccc4-n4cccn4)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000015072802 568749167 /nfs/dbraw/zinc/74/91/67/568749167.db2.gz KNCCXEGHVLBMFK-QXWFJRNPSA-N 1 0 416.525 4.020 50 0 HIAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4ccc(OC)cc4)nn3cnc21 ZINC000021801529 568754174 /nfs/dbraw/zinc/75/41/74/568754174.db2.gz FZXQUNDURDYDQS-UHFFFAOYSA-N 1 0 406.534 4.103 50 0 HIAARO CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868291 568755873 /nfs/dbraw/zinc/75/58/73/568755873.db2.gz VYSKRSPFIIDBKP-UHFFFAOYSA-N 1 0 424.928 4.495 50 0 HIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934625 568761845 /nfs/dbraw/zinc/76/18/45/568761845.db2.gz FGDUPIUSZKVEEE-UHFFFAOYSA-N 1 0 422.532 4.475 50 0 HIAARO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000022573352 568769833 /nfs/dbraw/zinc/76/98/33/568769833.db2.gz KOQRQYOGGJTCSJ-OAQYLSRUSA-N 1 0 422.491 4.193 50 0 HIAARO COc1ccc([C@@H](CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)[NH+](C)C)cc1 ZINC000022621345 568772120 /nfs/dbraw/zinc/77/21/20/568772120.db2.gz DIIJJIDKXVRHAV-JOCHJYFZSA-N 1 0 421.541 4.319 50 0 HIAARO CC[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000002907783 568815276 /nfs/dbraw/zinc/81/52/76/568815276.db2.gz KWJAZTNSKVNVEC-LEWJYISDSA-N 1 0 406.364 4.193 50 0 HIAARO C[NH+](C)CCCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261492573 568820558 /nfs/dbraw/zinc/82/05/58/568820558.db2.gz ZINBAQJJXGXYNC-UHFFFAOYSA-N 1 0 418.372 4.342 50 0 HIAARO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000057688712 568858440 /nfs/dbraw/zinc/85/84/40/568858440.db2.gz PXOUPSLIHBTPOL-OAQYLSRUSA-N 1 0 410.518 4.182 50 0 HIAARO CC[C@H](C)CCCC[N+]1=C2SCCCN2[C@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000003227412 568864304 /nfs/dbraw/zinc/86/43/04/568864304.db2.gz BSNNKOCTOAMLPY-HRAATJIYSA-N 1 0 413.554 4.471 50 0 HIAARO CC(=O)N1CCC[N@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000012594163 568868644 /nfs/dbraw/zinc/86/86/44/568868644.db2.gz SZVUNSVDXXDZIZ-UHFFFAOYSA-N 1 0 402.542 4.210 50 0 HIAARO CCOC(=O)c1c2cc(OC[C@H](O)C[NH+]3CCCC3)ccc2oc1-c1ccccc1 ZINC000003293343 568874085 /nfs/dbraw/zinc/87/40/85/568874085.db2.gz HBKLGWGZJNHKCX-GOSISDBHSA-N 1 0 409.482 4.112 50 0 HIAARO O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000299776113 568874801 /nfs/dbraw/zinc/87/48/01/568874801.db2.gz KFGLWXVEUQDLFM-DENIHFKCSA-N 1 0 423.582 4.002 50 0 HIAARO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000058160051 568894161 /nfs/dbraw/zinc/89/41/61/568894161.db2.gz JCCTXNGHHQZKPL-RBUKOAKNSA-N 1 0 416.521 4.403 50 0 HIAARO O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000004041483 568935818 /nfs/dbraw/zinc/93/58/18/568935818.db2.gz IZIOHWSZNUHKRR-JZXOWHBKSA-N 1 0 419.780 4.394 50 0 biogenic HIAARO COc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)cc1 ZINC000004086873 568940563 /nfs/dbraw/zinc/94/05/63/568940563.db2.gz PAXVIUPJWNHSMX-NRFANRHFSA-N 1 0 416.339 4.108 50 0 HIAARO COc1ccc(C)cc1NC(=O)c1cc2cc3c4c(c2oc1=[NH2+])CCCN4CCC3 ZINC000004193153 568950647 /nfs/dbraw/zinc/95/06/47/568950647.db2.gz YIDDKICFEPVAKN-UHFFFAOYSA-N 1 0 403.482 4.180 50 0 HIAARO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000084544218 568950943 /nfs/dbraw/zinc/95/09/43/568950943.db2.gz VHNZVEAEOVPZPC-UHFFFAOYSA-N 1 0 410.587 4.286 50 0 HIAARO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084625065 568953630 /nfs/dbraw/zinc/95/36/30/568953630.db2.gz QWEWYNXLTAPPOO-QFIPXVFZSA-N 1 0 420.550 4.278 50 0 HIAARO CC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)C)cc1 ZINC000084734002 568957258 /nfs/dbraw/zinc/95/72/58/568957258.db2.gz GORSLIUAGUJMDS-IBGZPJMESA-N 1 0 406.523 4.032 50 0 HIAARO CCCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000084758989 568958288 /nfs/dbraw/zinc/95/82/88/568958288.db2.gz PXJVYENODMEHAZ-JOCHJYFZSA-N 1 0 420.550 4.107 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000007989540 568966507 /nfs/dbraw/zinc/96/65/07/568966507.db2.gz CJQIAOUQRWFEBX-NRFANRHFSA-N 1 0 422.960 4.206 50 0 HIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000008229578 568983376 /nfs/dbraw/zinc/98/33/76/568983376.db2.gz JWLTZBTTXZODPX-HSZRJFAPSA-N 1 0 412.493 4.457 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008388633 568996254 /nfs/dbraw/zinc/99/62/54/568996254.db2.gz GWSCDZFCAAIFIF-FQEVSTJZSA-N 1 0 407.518 4.050 50 0 HIAARO Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCCC[N@@H+](C)C2CCCCC2)o1 ZINC000085653649 569005977 /nfs/dbraw/zinc/00/59/77/569005977.db2.gz UESAVCULQDFPBC-UHFFFAOYSA-N 1 0 410.518 4.484 50 0 HIAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccccc4c4c3CCCC4)CC2)cc1 ZINC000019823950 569007952 /nfs/dbraw/zinc/00/79/52/569007952.db2.gz FRJDIJHVPUNNDD-JOCHJYFZSA-N 1 0 403.570 4.012 50 0 HIAARO CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000012859929 569011539 /nfs/dbraw/zinc/01/15/39/569011539.db2.gz IQBOCSPNFSEFAP-CQSZACIVSA-N 1 0 409.313 4.484 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 ZINC000012877644 569013957 /nfs/dbraw/zinc/01/39/57/569013957.db2.gz MQJFIJWKYSWBOQ-WIYYLYMNSA-N 1 0 419.447 4.280 50 0 HIAARO CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1Br ZINC000035273766 569016751 /nfs/dbraw/zinc/01/67/51/569016751.db2.gz OUWLEZKNMITPMX-YGRLFVJLSA-N 1 0 407.146 4.267 50 0 HIAARO CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)o2)cc1 ZINC000012899342 569020551 /nfs/dbraw/zinc/02/05/51/569020551.db2.gz YDMAVMVRBRGDLX-UHFFFAOYSA-N 1 0 402.494 4.497 50 0 HIAARO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012918862 569022778 /nfs/dbraw/zinc/02/27/78/569022778.db2.gz FHHRRKLWAQTGMQ-QZTJIDSGSA-N 1 0 402.494 4.438 50 0 HIAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000015972279 569025240 /nfs/dbraw/zinc/02/52/40/569025240.db2.gz CLFJDEZIXUJXCH-DHTSOJEISA-N 1 0 421.541 4.122 50 0 HIAARO CCN(CC(=O)Nc1nnc(-c2ccccc2)o1)Cc1ccc(Br)s1 ZINC000012947853 569029265 /nfs/dbraw/zinc/02/92/65/569029265.db2.gz NQOKOXDKURJPIM-UHFFFAOYSA-N 1 0 421.320 4.021 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccccc1)=N2 ZINC000035372482 569033859 /nfs/dbraw/zinc/03/38/59/569033859.db2.gz HHSSWQHJBMXMML-UHFFFAOYSA-N 1 0 406.555 4.072 50 0 HIAARO Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000035447461 569037365 /nfs/dbraw/zinc/03/73/65/569037365.db2.gz PZDZDVCXDKALOA-QHCPKHFHSA-N 1 0 419.569 4.472 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(c4ncnc5sccc54)C3)C2)c1 ZINC000426556078 569073506 /nfs/dbraw/zinc/07/35/06/569073506.db2.gz XHTUCBZPBONFOJ-JOCHJYFZSA-N 1 0 412.534 4.332 50 0 HIAARO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCc3ccccc3C)CC1)cn2C ZINC000064669689 569078835 /nfs/dbraw/zinc/07/88/35/569078835.db2.gz RZLPSZYQYCHENK-UHFFFAOYSA-N 1 0 405.542 4.024 50 0 HIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036096107 569089686 /nfs/dbraw/zinc/08/96/86/569089686.db2.gz TWRUNRIDYLVZSQ-QFIPXVFZSA-N 1 0 401.547 4.130 50 0 HIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(OC)c2)cc1 ZINC000036098278 569090740 /nfs/dbraw/zinc/09/07/40/569090740.db2.gz MXLCNCKRBULVJW-QFIPXVFZSA-N 1 0 407.510 4.146 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)s1 ZINC000036101327 569091533 /nfs/dbraw/zinc/09/15/33/569091533.db2.gz XAYCDHSYMPVSDI-IBGZPJMESA-N 1 0 411.523 4.227 50 0 HIAARO CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000006708632 569095523 /nfs/dbraw/zinc/09/55/23/569095523.db2.gz HCASHCBXZXDSKV-QFIPXVFZSA-N 1 0 411.521 4.460 50 0 HIAARO COc1cccc(C[N@H+](C[C@H](O)c2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146482 569098789 /nfs/dbraw/zinc/09/87/89/569098789.db2.gz PEQQXODKAOKJSP-AHWVRZQESA-N 1 0 416.521 4.424 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036305908 569129599 /nfs/dbraw/zinc/12/95/99/569129599.db2.gz OXGGICMHJMKDEE-SFHVURJKSA-N 1 0 409.530 4.481 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806251 569130941 /nfs/dbraw/zinc/13/09/41/569130941.db2.gz MSUICOMDSVMICK-UHFFFAOYSA-N 1 0 400.592 4.283 50 0 HIAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccs1 ZINC000036312422 569132795 /nfs/dbraw/zinc/13/27/95/569132795.db2.gz LJHUIOIKSXLJSO-UHFFFAOYSA-N 1 0 424.570 4.207 50 0 HIAARO CC(C)C(=O)N(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036312837 569133110 /nfs/dbraw/zinc/13/31/10/569133110.db2.gz UPXSXHDTKXGABJ-IBGZPJMESA-N 1 0 412.578 4.267 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3OC)C2)c1 ZINC000036341448 569142034 /nfs/dbraw/zinc/14/20/34/569142034.db2.gz UPYXWSPYVHXSIZ-HSZRJFAPSA-N 1 0 421.541 4.113 50 0 HIAARO CC1CC[NH+](Cc2ccc(NC(=O)Nc3cn(C)c(=O)c4ccccc34)cc2)CC1 ZINC000006932499 569184502 /nfs/dbraw/zinc/18/45/02/569184502.db2.gz IWVXHTMTCIRQSY-UHFFFAOYSA-N 1 0 404.514 4.414 50 0 HIAARO CCOc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)C1 ZINC000065257038 569208633 /nfs/dbraw/zinc/20/86/33/569208633.db2.gz LQJIOTVXUUOAFW-QFIPXVFZSA-N 1 0 416.525 4.101 50 0 HIAARO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065539838 569234591 /nfs/dbraw/zinc/23/45/91/569234591.db2.gz HLWZKWLFNHBOEA-VGSWGCGISA-N 1 0 403.526 4.376 50 0 HIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc(Br)c2)c(OC)c1 ZINC000065592057 569236776 /nfs/dbraw/zinc/23/67/76/569236776.db2.gz CCVQNBZOXGCYBV-OALUTQOASA-N 1 0 406.320 4.337 50 0 HIAARO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000170591392 569240604 /nfs/dbraw/zinc/24/06/04/569240604.db2.gz QEVSHIVXWQYQLO-AEFFLSMTSA-N 1 0 411.587 4.011 50 0 HIAARO C[C@@H](NC(=O)Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-c2cccnc2)cc1 ZINC000170600280 569242959 /nfs/dbraw/zinc/24/29/59/569242959.db2.gz CHNSLNYLBPTMAW-LJQANCHMSA-N 1 0 403.526 4.109 50 0 HIAARO COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000170617360 569248067 /nfs/dbraw/zinc/24/80/67/569248067.db2.gz MRPFMBBSAIMKSG-UHFFFAOYSA-N 1 0 417.531 4.042 50 0 HIAARO Cc1cccc(-c2nc(CC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cs2)c1 ZINC000252512440 569291962 /nfs/dbraw/zinc/29/19/62/569291962.db2.gz QPBUBGNWRFKWKO-XMSQKQJNSA-N 1 0 405.567 4.298 50 0 HIAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1N(C)C(=O)[C@@H](C)[N@@H+]1CCCC(C)(C)C1 ZINC000002316118 569373204 /nfs/dbraw/zinc/37/32/04/569373204.db2.gz MICCWRBLDGFHLQ-CYBMUJFWSA-N 1 0 405.926 4.081 50 0 HIAARO CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000002351330 569381452 /nfs/dbraw/zinc/38/14/52/569381452.db2.gz PFGLFBGTTIDTIH-UHFFFAOYSA-N 1 0 408.321 4.355 50 0 HIAARO CCO[C@@H]1C[C@H](NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C12CCCCC2 ZINC000078954308 569422022 /nfs/dbraw/zinc/42/20/22/569422022.db2.gz JREPFTXWLVOGFN-FCHUYYIVSA-N 1 0 414.594 4.078 50 0 HIAARO Cc1nnc(-c2ccc(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)cc2)o1 ZINC000078965866 569422181 /nfs/dbraw/zinc/42/21/81/569422181.db2.gz XZVHQVDJKHFLGD-UHFFFAOYSA-N 1 0 404.514 4.351 50 0 HIAARO C[NH+](C)CCCOC1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000079013545 569423686 /nfs/dbraw/zinc/42/36/86/569423686.db2.gz XGSMYUUTTAQTDC-HSZRJFAPSA-N 1 0 412.599 4.479 50 0 HIAARO CCC[C@@H]1CN(Cc2cccc(NC(C)=O)c2)CC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000079058940 569426194 /nfs/dbraw/zinc/42/61/94/569426194.db2.gz NTBZHLWTPXRUHV-RUZDIDTESA-N 1 0 422.573 4.090 50 0 HIAARO COc1ccc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 ZINC000019791241 569429839 /nfs/dbraw/zinc/42/98/39/569429839.db2.gz FHZOYSNBQPKFCS-QHCPKHFHSA-N 1 0 422.548 4.176 50 0 HIAARO C[N@@H+]1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000008485661 571055524 /nfs/dbraw/zinc/05/55/24/571055524.db2.gz XNGKNEOQLKZYRP-UHFFFAOYSA-N 1 0 421.614 4.486 50 0 HIAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSCc3cn4ccccc4n3)CC2)cc1 ZINC000040087009 571157589 /nfs/dbraw/zinc/15/75/89/571157589.db2.gz GRJIBRXIYMFUSL-UHFFFAOYSA-N 1 0 422.598 4.001 50 0 HIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000008927639 571160339 /nfs/dbraw/zinc/16/03/39/571160339.db2.gz IETKJQMBVTXXMS-INIZCTEOSA-N 1 0 422.348 4.326 50 0 HIAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000040112302 571170597 /nfs/dbraw/zinc/17/05/97/571170597.db2.gz VZXMHHJYURUXFH-FQEVSTJZSA-N 1 0 402.542 4.093 50 0 HIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009113967 571223907 /nfs/dbraw/zinc/22/39/07/571223907.db2.gz CYUGEDXDIPUERA-UHFFFAOYSA-N 1 0 406.530 4.165 50 0 HIAARO Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009460134 571260374 /nfs/dbraw/zinc/26/03/74/571260374.db2.gz CTDZHDFWNJAGGT-NRFANRHFSA-N 1 0 409.486 4.030 50 0 HIAARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c1C ZINC000010334160 571300815 /nfs/dbraw/zinc/30/08/15/571300815.db2.gz BLCUJSWQKZXPPY-DEOSSOPVSA-N 1 0 415.537 4.348 50 0 HIAARO Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1C ZINC000034922058 571316702 /nfs/dbraw/zinc/31/67/02/571316702.db2.gz MTXFEKUHQAWVOT-FQEVSTJZSA-N 1 0 416.525 4.329 50 0 HIAARO CC(C)(C)NC1=[NH+]c2ncccc2N[C@@]12CCCN(C(=O)CSc1ccccc1)C2 ZINC000101734499 571317906 /nfs/dbraw/zinc/31/79/06/571317906.db2.gz XJFRDMPGXVUZGY-HSZRJFAPSA-N 1 0 423.586 4.079 50 0 HIAARO Cc1sc2nc(-c3cccs3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC000012817383 721918716 /nfs/dbraw/zinc/91/87/16/721918716.db2.gz HUHQKBKKPFFKKO-MRXNPFEDSA-N 1 0 414.600 4.338 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1 ZINC000011663115 845823394 /nfs/dbraw/zinc/82/33/94/845823394.db2.gz DCNJUTQFIPJARI-HSZRJFAPSA-N 1 0 400.494 4.172 50 0 HIAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2C[C@H]3C[C@@H]2CCC3)c1 ZINC000011668141 845823497 /nfs/dbraw/zinc/82/34/97/845823497.db2.gz BUICECJPVPVOFK-YADHBBJMSA-N 1 0 419.569 4.448 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CC(F)(F)F)CC1 ZINC000011816517 845836072 /nfs/dbraw/zinc/83/60/72/845836072.db2.gz VQZRYLNBGHLCIS-HXUWFJFHSA-N 1 0 412.496 4.167 50 0 HIAARO CSc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000011822152 845837306 /nfs/dbraw/zinc/83/73/06/845837306.db2.gz KAYURVYFPJQQQI-NRFANRHFSA-N 1 0 409.599 4.144 50 0 HIAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000011972580 845844712 /nfs/dbraw/zinc/84/47/12/845844712.db2.gz OOSAILKVHOEIKN-IBGZPJMESA-N 1 0 413.587 4.096 50 0 HIAARO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000012075120 845851970 /nfs/dbraw/zinc/85/19/70/845851970.db2.gz CEXXNJXSBVDLJP-UHFFFAOYSA-N 1 0 420.553 4.050 50 0 HIAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000012467141 845873595 /nfs/dbraw/zinc/87/35/95/845873595.db2.gz DLALNUZXHSWZKB-JOCHJYFZSA-N 1 0 407.913 4.314 50 0 HIAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)Cc1c[nH]c2ccccc12 ZINC000012585064 845877237 /nfs/dbraw/zinc/87/72/37/845877237.db2.gz YZLUOMXRKUQCFU-UHFFFAOYSA-N 1 0 407.533 4.263 50 0 HIAARO COCCN(Cc1ccc(OC)c(C)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012585445 845877526 /nfs/dbraw/zinc/87/75/26/845877526.db2.gz APKZKSYCHKLABJ-QHCPKHFHSA-N 1 0 422.613 4.331 50 0 HIAARO Cc1ccc(C)c(-n2cc(C[NH2+]CCN3CCCCC3=O)c(-c3ccccc3)n2)c1 ZINC000012612227 845879388 /nfs/dbraw/zinc/87/93/88/845879388.db2.gz UPCHXNNFPANUGZ-UHFFFAOYSA-N 1 0 402.542 4.258 50 0 HIAARO COc1cc2c(Cc3ccc4c(c3)OCO4)ncc([C@H]3CCC[N@@H+]3C)c2cc1OC ZINC000013372467 845915349 /nfs/dbraw/zinc/91/53/49/845915349.db2.gz XISGRFQSYRKPNQ-HXUWFJFHSA-N 1 0 406.482 4.338 50 0 HIAARO COc1cccc(OC)c1C[NH2+][C@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 ZINC000014990223 845997021 /nfs/dbraw/zinc/99/70/21/845997021.db2.gz CLAZBMSMJCGYOE-SFHVURJKSA-N 1 0 424.520 4.243 50 0 HIAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000047634834 849087211 /nfs/dbraw/zinc/08/72/11/849087211.db2.gz WMNAIFIZYWSPJN-CYBMUJFWSA-N 1 0 417.775 4.106 50 0 HIAARO CC(=O)Nc1ccc(C2(C(=O)N3CCC([NH+]4CCCCC4)CC3)CCCCC2)cc1 ZINC000065027434 852043318 /nfs/dbraw/zinc/04/33/18/852043318.db2.gz QKJTURKSWZHBRO-UHFFFAOYSA-N 1 0 411.590 4.324 50 0 HIAARO CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000067723348 852366765 /nfs/dbraw/zinc/36/67/65/852366765.db2.gz LMROJSKUHMIBIP-VWLOTQADSA-N 1 0 405.542 4.082 50 0 HIAARO O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084335354 852545074 /nfs/dbraw/zinc/54/50/74/852545074.db2.gz FSBSGBLKRUJPFI-FZZYSBJUSA-N 1 0 406.370 4.480 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(OC(F)F)cc3)cc2C)CC1 ZINC000098001095 852648972 /nfs/dbraw/zinc/64/89/72/852648972.db2.gz DPOFJUXJGIDOKD-WDZFZDKYSA-N 1 0 415.484 4.390 50 0 HIAARO O=C(NC1CC1)c1ccccc1OC[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000169774384 853662102 /nfs/dbraw/zinc/66/21/02/853662102.db2.gz FWPOFLKSEZANJD-IBGZPJMESA-N 1 0 418.537 4.146 50 0 HIAARO O=C(c1cccnc1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776660 853662262 /nfs/dbraw/zinc/66/22/62/853662262.db2.gz TUOIRDNWQWDVEH-QHCPKHFHSA-N 1 0 423.532 4.039 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000257184185 854234285 /nfs/dbraw/zinc/23/42/85/854234285.db2.gz TYGLIVXRQUJDCD-HSZRJFAPSA-N 1 0 418.541 4.319 50 0 HIAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)CCO2 ZINC000299797565 854281830 /nfs/dbraw/zinc/28/18/30/854281830.db2.gz OERKDSGDOKQOJH-IBGZPJMESA-N 1 0 406.574 4.470 50 0 HIAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000001116256 132237840 /nfs/dbraw/zinc/23/78/40/132237840.db2.gz CPDQMHWCVLERNY-AWEZNQCLSA-N 1 0 408.329 4.151 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Nc2ccc(F)cc2)CC1 ZINC000004791867 132288934 /nfs/dbraw/zinc/28/89/34/132288934.db2.gz NAEYMSXWKBQETF-UHFFFAOYSA-N 1 0 404.917 4.121 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3COc3ccccc3)cc2)CC1 ZINC000008025186 132327111 /nfs/dbraw/zinc/32/71/11/132327111.db2.gz JBQJXEJTJMIRKC-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO COC[C@H](C)[NH2+]C1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000011909746 132352059 /nfs/dbraw/zinc/35/20/59/132352059.db2.gz UYZYVQYVRAEGLZ-INIZCTEOSA-N 1 0 401.938 4.186 50 0 HIAARO C[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012588963 132364691 /nfs/dbraw/zinc/36/46/91/132364691.db2.gz AQAPONPIBFFJLO-QGZVFWFLSA-N 1 0 405.464 4.095 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cccc(C)c4)c(C)c32)CC1 ZINC000021926806 132474028 /nfs/dbraw/zinc/47/40/28/132474028.db2.gz UZKSQKZCTSEUHS-UHFFFAOYSA-N 1 0 409.559 4.092 50 0 HIAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000032931052 520699744 /nfs/dbraw/zinc/69/97/44/520699744.db2.gz CLOGZFGLWXXSFU-UHFFFAOYSA-N 1 0 421.541 4.311 50 0 HIAARO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCc1cccc(C)c1 ZINC000040743801 520712444 /nfs/dbraw/zinc/71/24/44/520712444.db2.gz CVOAKWNYTHQNRX-UHFFFAOYSA-N 1 0 408.336 4.207 50 0 HIAARO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000040743668 520712612 /nfs/dbraw/zinc/71/26/12/520712612.db2.gz MRHQPCBUYJMTKJ-UHFFFAOYSA-N 1 0 408.336 4.207 50 0 HIAARO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCc1cccc(C)c1 ZINC000040740100 520714540 /nfs/dbraw/zinc/71/45/40/520714540.db2.gz SGMLAVOPUGLQCA-UHFFFAOYSA-N 1 0 408.336 4.471 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccccc1)c1ccccc1Cl ZINC000032316132 520861069 /nfs/dbraw/zinc/86/10/69/520861069.db2.gz MIXNQBBWZCLGQO-FGZHOGPDSA-N 1 0 415.965 4.107 50 0 HIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000032796644 521700121 /nfs/dbraw/zinc/70/01/21/521700121.db2.gz BYPRJNSJXNNNJA-UHFFFAOYSA-N 1 0 416.525 4.055 50 0 HIAARO CN(C)c1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000044369041 522231515 /nfs/dbraw/zinc/23/15/15/522231515.db2.gz YVMTZWCNFPWLDW-HNNXBMFYSA-N 1 0 400.470 4.257 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000032814831 524752856 /nfs/dbraw/zinc/75/28/56/524752856.db2.gz XGDMKWCYIKCRML-INIZCTEOSA-N 1 0 401.938 4.044 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cc1 ZINC000040733066 525067877 /nfs/dbraw/zinc/06/78/77/525067877.db2.gz UIQBNZXOYCTKSM-UHFFFAOYSA-N 1 0 404.466 4.031 50 0 HIAARO Cc1oc2cc(OCCN3CC[NH+](C)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000020591437 526779274 /nfs/dbraw/zinc/77/92/74/526779274.db2.gz IPRGSRJWLURXMH-UHFFFAOYSA-N 1 0 412.917 4.048 50 0 HIAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000032909014 526855558 /nfs/dbraw/zinc/85/55/58/526855558.db2.gz BZFYALCZTYZHRK-UHFFFAOYSA-N 1 0 406.511 4.050 50 0 HIAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)cc2C)CC1 ZINC000012520726 535748865 /nfs/dbraw/zinc/74/88/65/535748865.db2.gz RUEAUTZSAPGZHY-INIZCTEOSA-N 1 0 418.944 4.369 50 0 HIAARO CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000012607334 536162666 /nfs/dbraw/zinc/16/26/66/536162666.db2.gz AKSIZIUGBXEERF-UHFFFAOYSA-N 1 0 407.558 4.301 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000007989907 536424283 /nfs/dbraw/zinc/42/42/83/536424283.db2.gz BFFBHBFEBWXHPA-UHFFFAOYSA-N 1 0 423.520 4.301 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000008025967 536424860 /nfs/dbraw/zinc/42/48/60/536424860.db2.gz MVJPZRANZXTQEA-UHFFFAOYSA-N 1 0 419.500 4.409 50 0 HIAARO COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)ccc2c1 ZINC000007989231 537039146 /nfs/dbraw/zinc/03/91/46/537039146.db2.gz NGLPJENACXREQK-GOSISDBHSA-N 1 0 403.526 4.342 50 0 HIAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000012449037 537088490 /nfs/dbraw/zinc/08/84/90/537088490.db2.gz OBKWHCDMAKAUTN-FQEVSTJZSA-N 1 0 408.542 4.268 50 0 HIAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681658 557383268 /nfs/dbraw/zinc/38/32/68/557383268.db2.gz CPGQVLPWJHGNAA-UHFFFAOYSA-N 1 0 422.479 4.324 50 0 HIAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681926 557384013 /nfs/dbraw/zinc/38/40/13/557384013.db2.gz SXMGPUNVWMWJPT-UHFFFAOYSA-N 1 0 422.479 4.324 50 0 HIAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034682805 557384845 /nfs/dbraw/zinc/38/48/45/557384845.db2.gz BYJUPHOSSZGKCB-UHFFFAOYSA-N 1 0 401.510 4.402 50 0 HIAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740522 557444193 /nfs/dbraw/zinc/44/41/93/557444193.db2.gz XMJZRTUJAVPONG-OFNKIYASSA-N 1 0 416.537 4.074 50 0 HIAARO O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000004299546 557537330 /nfs/dbraw/zinc/53/73/30/557537330.db2.gz QFXJMJMXMCEUKU-LJQANCHMSA-N 1 0 403.910 4.210 50 0 HIAARO CCc1ccc2nc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)sc2c1 ZINC000004757407 557594839 /nfs/dbraw/zinc/59/48/39/557594839.db2.gz HRWVGFQJQXCGDO-KRWDZBQOSA-N 1 0 414.619 4.066 50 0 HIAARO COc1ccc(OC)c(C[NH+]2CCC(CNC(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000004821293 557603071 /nfs/dbraw/zinc/60/30/71/557603071.db2.gz REICQRPQROQVNW-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO C[C@H]1CCC[C@H](C)[NH+]1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000006805447 557722684 /nfs/dbraw/zinc/72/26/84/557722684.db2.gz WGVWNEJGMBORIM-IRXDYDNUSA-N 1 0 401.518 4.014 50 0 HIAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008535046 557794046 /nfs/dbraw/zinc/79/40/46/557794046.db2.gz XESRSMMHLQHIMM-GFCCVEGCSA-N 1 0 414.727 4.161 50 0 HIAARO CN(Cc1ccccc1)C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022862906 557843364 /nfs/dbraw/zinc/84/33/64/557843364.db2.gz RMPUCWLQCSXYGC-UHFFFAOYSA-N 1 0 413.565 4.052 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703480 558270496 /nfs/dbraw/zinc/27/04/96/558270496.db2.gz XSPKMHIAWFOWPR-JOCHJYFZSA-N 1 0 418.585 4.267 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C/C=C/c3ccco3)C2)c(OC)c1 ZINC000011754187 558272803 /nfs/dbraw/zinc/27/28/03/558272803.db2.gz KSUDMZGJPFSLNX-ZLHKHBAESA-N 1 0 412.530 4.119 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000011786812 558276390 /nfs/dbraw/zinc/27/63/90/558276390.db2.gz UHZDQKPTTJLCGA-SFHVURJKSA-N 1 0 422.447 4.265 50 0 HIAARO Cn1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)c2ccccc21 ZINC000011790591 558277504 /nfs/dbraw/zinc/27/75/04/558277504.db2.gz QHEJTNVDUSPHDM-QFIPXVFZSA-N 1 0 417.553 4.122 50 0 HIAARO CC(C)OCCNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000011814447 558278746 /nfs/dbraw/zinc/27/87/46/558278746.db2.gz ZKLYAVVJSTYNFZ-UHFFFAOYSA-N 1 0 410.986 4.384 50 0 HIAARO CCOc1ccc2nc(N3CCC[C@@H]([NH2+]CCCc4cccnc4)CC3)nc(C)c2c1 ZINC000011912518 558297128 /nfs/dbraw/zinc/29/71/28/558297128.db2.gz UOCNBYLNGJQCFE-OAQYLSRUSA-N 1 0 419.573 4.313 50 0 HIAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1C ZINC000011950112 558302734 /nfs/dbraw/zinc/30/27/34/558302734.db2.gz CNLZRKPRZFMFGY-QHCPKHFHSA-N 1 0 415.541 4.186 50 0 HIAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc(F)c(F)c3)CC2)s1 ZINC000011971955 558305054 /nfs/dbraw/zinc/30/50/54/558305054.db2.gz FLHCDZMZPLRBDJ-INIZCTEOSA-N 1 0 419.497 4.226 50 0 HIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000012029105 558310748 /nfs/dbraw/zinc/31/07/48/558310748.db2.gz MUHPIYCLCRTNJM-HSZRJFAPSA-N 1 0 401.503 4.040 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1 ZINC000012090658 558323990 /nfs/dbraw/zinc/32/39/90/558323990.db2.gz UTWGJIZTKRZUBK-HXUWFJFHSA-N 1 0 400.588 4.482 50 0 HIAARO Cc1cc(C)n(CCCN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000012133166 558333211 /nfs/dbraw/zinc/33/32/11/558333211.db2.gz PSKGJYYFCPJSCK-FQEVSTJZSA-N 1 0 422.495 4.080 50 0 HIAARO CSc1nc(C(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)cs1 ZINC000012135028 558333412 /nfs/dbraw/zinc/33/34/12/558333412.db2.gz MQYRKLNDNOZSLC-MJGOQNOKSA-N 1 0 401.601 4.034 50 0 HIAARO CCN(Cc1nc2ccccc2n1C)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020211463 558347413 /nfs/dbraw/zinc/34/74/13/558347413.db2.gz XENOWXUDZOEDRO-OAQYLSRUSA-N 1 0 408.565 4.489 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCC(C(N)=O)CC2)c(C)s1 ZINC000012194353 558348855 /nfs/dbraw/zinc/34/88/55/558348855.db2.gz XZDJJIUQYPKECG-UHFFFAOYSA-N 1 0 412.534 4.054 50 0 HIAARO O=C(CCc1ccccn1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012196689 558349827 /nfs/dbraw/zinc/34/98/27/558349827.db2.gz MFXZEKQUVRGHCW-UHFFFAOYSA-N 1 0 406.574 4.093 50 0 HIAARO COC(=O)CC[C@H](C)[NH+]1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000012200729 558351271 /nfs/dbraw/zinc/35/12/71/558351271.db2.gz STYYZSGGFZPSHJ-HNNXBMFYSA-N 1 0 424.969 4.053 50 0 HIAARO O[C@@H](COc1cccc(Oc2ccccc2)c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020406658 558360121 /nfs/dbraw/zinc/36/01/21/558360121.db2.gz NFMMYXVBPBFJNN-JOCHJYFZSA-N 1 0 404.510 4.041 50 0 HIAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)c1 ZINC000012300516 558370434 /nfs/dbraw/zinc/37/04/34/558370434.db2.gz FKSQJOMFWRWWNS-GOSISDBHSA-N 1 0 414.571 4.068 50 0 HIAARO CN(C)c1ncc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301579 558371269 /nfs/dbraw/zinc/37/12/69/558371269.db2.gz KMDCRQINTXNQGX-SFHVURJKSA-N 1 0 407.027 4.249 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2CCOCC2)CC1 ZINC000012304416 558373635 /nfs/dbraw/zinc/37/36/35/558373635.db2.gz YRXONBPANMKEFZ-UHFFFAOYSA-N 1 0 421.585 4.057 50 0 HIAARO Cc1c(C[NH2+]CCCN2CCOCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000020477819 558374538 /nfs/dbraw/zinc/37/45/38/558374538.db2.gz JJSWYXHABWLDHI-UHFFFAOYSA-N 1 0 411.977 4.463 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2cccc(OCCO)c2)cc1 ZINC000012314418 558377693 /nfs/dbraw/zinc/37/76/93/558377693.db2.gz GDCHLBZCALNXJG-QHCPKHFHSA-N 1 0 421.541 4.055 50 0 HIAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccc2ncccc2c1 ZINC000012315806 558379125 /nfs/dbraw/zinc/37/91/25/558379125.db2.gz LKJWCFJIIYKHBR-UHFFFAOYSA-N 1 0 405.517 4.401 50 0 HIAARO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCn3ccnc3)n2)cc1 ZINC000012316931 558380285 /nfs/dbraw/zinc/38/02/85/558380285.db2.gz YFXDDFAAJCGHKD-KRWDZBQOSA-N 1 0 405.424 4.397 50 0 HIAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317446 558380788 /nfs/dbraw/zinc/38/07/88/558380788.db2.gz GADAAJADYMUHKV-HXUWFJFHSA-N 1 0 406.505 4.385 50 0 HIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000012387104 558395808 /nfs/dbraw/zinc/39/58/08/558395808.db2.gz ZSVFQVZHQZOHGJ-XMMPIXPASA-N 1 0 413.562 4.134 50 0 HIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020715060 558400948 /nfs/dbraw/zinc/40/09/48/558400948.db2.gz DAGXRJXZTXHGKU-KRWDZBQOSA-N 1 0 400.569 4.133 50 0 HIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012431993 558406413 /nfs/dbraw/zinc/40/64/13/558406413.db2.gz KAXIUTMZWWDODL-SFHVURJKSA-N 1 0 407.432 4.171 50 0 HIAARO CCN(Cc1ccc(COC)o1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012437974 558409768 /nfs/dbraw/zinc/40/97/68/558409768.db2.gz UWMUJBJTRBEKHA-OAQYLSRUSA-N 1 0 400.563 4.211 50 0 HIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012437935 558409851 /nfs/dbraw/zinc/40/98/51/558409851.db2.gz AMMHVSJYXZXGOV-KRWDZBQOSA-N 1 0 414.431 4.381 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cc(F)cc(F)c3)C2)cc1 ZINC000012439046 558410495 /nfs/dbraw/zinc/41/04/95/558410495.db2.gz MXFLOVRFZRGJPO-SFHVURJKSA-N 1 0 402.485 4.000 50 0 HIAARO COc1cccc2ccc(C[N@@H+]3CCC[C@@](CO)(Cc4ccc(F)cc4F)C3)nc21 ZINC000012439538 558411015 /nfs/dbraw/zinc/41/10/15/558411015.db2.gz JLNCOBCGDIMRAM-XMMPIXPASA-N 1 0 412.480 4.339 50 0 HIAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1)c1cccnc1 ZINC000012441806 558412411 /nfs/dbraw/zinc/41/24/11/558412411.db2.gz POGRSJPRGRDKRR-HSZRJFAPSA-N 1 0 415.537 4.303 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCCn2cccn2)cc1 ZINC000012459074 558418603 /nfs/dbraw/zinc/41/86/03/558418603.db2.gz AXVLYQPTZFKQHD-UHFFFAOYSA-N 1 0 405.477 4.063 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2cn1 ZINC000012472567 558422316 /nfs/dbraw/zinc/42/23/16/558422316.db2.gz VPJKJGUDHNQASZ-HXUWFJFHSA-N 1 0 405.517 4.401 50 0 HIAARO Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4c(F)cccc4Cl)C3)CC2)cc1 ZINC000020914348 558422455 /nfs/dbraw/zinc/42/24/55/558422455.db2.gz POGFPQYAXYSALT-LJQANCHMSA-N 1 0 405.920 4.405 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CCc1ccc(F)c(F)c1 ZINC000012570578 558428634 /nfs/dbraw/zinc/42/86/34/558428634.db2.gz WFKAXZLBRWQXDU-LJQANCHMSA-N 1 0 418.503 4.450 50 0 HIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012595268 558437361 /nfs/dbraw/zinc/43/73/61/558437361.db2.gz UZDDLQFOEXOJAP-RUZDIDTESA-N 1 0 424.541 4.259 50 0 HIAARO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000021702688 558446011 /nfs/dbraw/zinc/44/60/11/558446011.db2.gz HYWBGLHMOCPVLO-UXHICEINSA-N 1 0 409.574 4.149 50 0 HIAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@@H]1COCCO1 ZINC000012708915 558451364 /nfs/dbraw/zinc/45/13/64/558451364.db2.gz OSLAWSJQLYPLFO-JOCHJYFZSA-N 1 0 417.509 4.192 50 0 HIAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ccc(C)o2)c1 ZINC000012713343 558453748 /nfs/dbraw/zinc/45/37/48/558453748.db2.gz RTXPUHZHRLIPEI-UHFFFAOYSA-N 1 0 412.530 4.312 50 0 HIAARO Cc1cc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)nn1C ZINC000012718649 558456154 /nfs/dbraw/zinc/45/61/54/558456154.db2.gz RJHIHEQKHKAWQF-UHFFFAOYSA-N 1 0 422.617 4.376 50 0 HIAARO C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000004359659 558456798 /nfs/dbraw/zinc/45/67/98/558456798.db2.gz BZOHAWADDWQPIT-UHFFFAOYSA-N 1 0 403.935 4.313 50 0 HIAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000012761144 558461117 /nfs/dbraw/zinc/46/11/17/558461117.db2.gz BNRDTGLIEWVDKS-UHFFFAOYSA-N 1 0 404.514 4.128 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000012792010 558466258 /nfs/dbraw/zinc/46/62/58/558466258.db2.gz BMOPLJZAWYKWTR-UHFFFAOYSA-N 1 0 420.557 4.202 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1Br)[NH+]1CCCC1 ZINC000012820902 558476991 /nfs/dbraw/zinc/47/69/91/558476991.db2.gz USZCLEXQXJABCI-GOSISDBHSA-N 1 0 421.310 4.164 50 0 HIAARO CC[NH+](CC)[C@@H](CNc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000013069614 558510932 /nfs/dbraw/zinc/51/09/32/558510932.db2.gz HVPGRZHOFKDHDT-NRFANRHFSA-N 1 0 410.949 4.440 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1OC ZINC000022852977 558517088 /nfs/dbraw/zinc/51/70/88/558517088.db2.gz IEIMSHHMVFEYFA-HXUWFJFHSA-N 1 0 416.587 4.107 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1OC ZINC000022852975 558517221 /nfs/dbraw/zinc/51/72/21/558517221.db2.gz IEIMSHHMVFEYFA-FQEVSTJZSA-N 1 0 416.587 4.107 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)c1ccc(Br)cc1F)[NH+]1CCCC1 ZINC000023074419 558533018 /nfs/dbraw/zinc/53/30/18/558533018.db2.gz DJNKCWKHJCMYEO-SFHVURJKSA-N 1 0 421.310 4.164 50 0 HIAARO COc1ccc(CC[N@H+](C)Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000023280959 558547613 /nfs/dbraw/zinc/54/76/13/558547613.db2.gz HJQVDJGXRLTRBG-UHFFFAOYSA-N 1 0 424.335 4.158 50 0 HIAARO c1ccc2c(c1)nc(-c1cccnc1)nc2NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023883471 558580419 /nfs/dbraw/zinc/58/04/19/558580419.db2.gz AKPBGEVRJHJHHG-UHFFFAOYSA-N 1 0 403.530 4.139 50 0 HIAARO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013727984 558585458 /nfs/dbraw/zinc/58/54/58/558585458.db2.gz WHQUQTCRNBYHFB-UHFFFAOYSA-N 1 0 411.727 4.465 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000014067836 558617040 /nfs/dbraw/zinc/61/70/40/558617040.db2.gz PKALMSYQKNFQPB-OAQYLSRUSA-N 1 0 406.530 4.017 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000014086791 558618910 /nfs/dbraw/zinc/61/89/10/558618910.db2.gz PCVIPCVOOOAEAP-OAHLLOKOSA-N 1 0 409.921 4.089 50 0 HIAARO CC(C)c1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2cnn(C(C)C)c2n1 ZINC000014190140 558632432 /nfs/dbraw/zinc/63/24/32/558632432.db2.gz KMQFDKJDZFYZFB-HXUWFJFHSA-N 1 0 409.534 4.296 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccsc1 ZINC000025330120 558638696 /nfs/dbraw/zinc/63/86/96/558638696.db2.gz LATUUHPKVQUOBN-JOCHJYFZSA-N 1 0 402.523 4.391 50 0 HIAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC000014534316 558657383 /nfs/dbraw/zinc/65/73/83/558657383.db2.gz MLFNKFVWTRWZLT-LJQANCHMSA-N 1 0 414.981 4.076 50 0 HIAARO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026922173 558667125 /nfs/dbraw/zinc/66/71/25/558667125.db2.gz FAWGBSGUTQJLDH-HNNXBMFYSA-N 1 0 409.313 4.484 50 0 HIAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026925068 558667285 /nfs/dbraw/zinc/66/72/85/558667285.db2.gz QSEBPUJSBXPXEI-SFHVURJKSA-N 1 0 409.505 4.304 50 0 HIAARO Cc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014744242 558668312 /nfs/dbraw/zinc/66/83/12/558668312.db2.gz ZNNDDISBXQOWBH-NRFANRHFSA-N 1 0 408.590 4.121 50 0 HIAARO C[N@H+](CCn1cccn1)Cc1cc2ccc(Cl)cc2n(CCc2ccccc2)c1=O ZINC000014879962 558675648 /nfs/dbraw/zinc/67/56/48/558675648.db2.gz AWPYXJQKAJMOLM-UHFFFAOYSA-N 1 0 420.944 4.226 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027667768 558680094 /nfs/dbraw/zinc/68/00/94/558680094.db2.gz DAUHHWCURQICCN-HXUWFJFHSA-N 1 0 402.922 4.071 50 0 HIAARO CC[C@H](Oc1ccccc1F)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027747508 558681474 /nfs/dbraw/zinc/68/14/74/558681474.db2.gz JMEUGNXCPMEOFK-YADHBBJMSA-N 1 0 414.521 4.335 50 0 HIAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)c1 ZINC000014960479 558683889 /nfs/dbraw/zinc/68/38/89/558683889.db2.gz DLZGZROJEPHKFW-FQEVSTJZSA-N 1 0 408.542 4.206 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000027990343 558688039 /nfs/dbraw/zinc/68/80/39/558688039.db2.gz UCMJZFJBSKYJOI-GBXCKJPGSA-N 1 0 410.558 4.423 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2cc(C)ccc2C(C)C)[NH+]2CCCC2)cc1 ZINC000027992381 558688544 /nfs/dbraw/zinc/68/85/44/558688544.db2.gz APDZWTSGQHWWHK-QHCPKHFHSA-N 1 0 410.558 4.459 50 0 HIAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000028029073 558689860 /nfs/dbraw/zinc/68/98/60/558689860.db2.gz XSXOSWKNRCWJFX-UHFFFAOYSA-N 1 0 401.869 4.434 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000014981113 558691531 /nfs/dbraw/zinc/69/15/31/558691531.db2.gz NRBALJUUPFKCNR-UHFFFAOYSA-N 1 0 422.569 4.407 50 0 HIAARO C[C@H](C[NH+]1CCC(c2nnc(SCc3ccncc3)n2C)CC1)c1ccccc1 ZINC000014991069 558694255 /nfs/dbraw/zinc/69/42/55/558694255.db2.gz HCQWOBVOLSWSRJ-GOSISDBHSA-N 1 0 407.587 4.486 50 0 HIAARO CCSc1ncc(Cl)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)n1 ZINC000028289430 558696014 /nfs/dbraw/zinc/69/60/14/558696014.db2.gz WYVNEPXTJXEAEI-AWEZNQCLSA-N 1 0 410.996 4.261 50 0 HIAARO CCSc1ncc(Cl)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)n1 ZINC000028289427 558696120 /nfs/dbraw/zinc/69/61/20/558696120.db2.gz WYVNEPXTJXEAEI-CQSZACIVSA-N 1 0 410.996 4.261 50 0 HIAARO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000015000907 558697513 /nfs/dbraw/zinc/69/75/13/558697513.db2.gz ZLCMLCKMSDMXKD-LJQANCHMSA-N 1 0 422.554 4.216 50 0 HIAARO C[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC(=O)NC1CCCC1 ZINC000028800025 558704844 /nfs/dbraw/zinc/70/48/44/558704844.db2.gz WADRTRRNVQFRNK-LAUBAEHRSA-N 1 0 418.541 4.046 50 0 HIAARO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015063462 558706249 /nfs/dbraw/zinc/70/62/49/558706249.db2.gz ASKPMQJPZPRQJD-NRFANRHFSA-N 1 0 405.567 4.176 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015064659 558707471 /nfs/dbraw/zinc/70/74/71/558707471.db2.gz NWGUWXVIWIMIOX-QFIPXVFZSA-N 1 0 411.615 4.085 50 0 HIAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000015065904 558708894 /nfs/dbraw/zinc/70/88/94/558708894.db2.gz URMIJFLANRKXHR-XMMPIXPASA-N 1 0 413.514 4.015 50 0 HIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000015068708 558711214 /nfs/dbraw/zinc/71/12/14/558711214.db2.gz CXXDZTOKEFLCEA-JOCHJYFZSA-N 1 0 416.569 4.207 50 0 HIAARO Cc1ccccc1C[N@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000015071538 558713339 /nfs/dbraw/zinc/71/33/39/558713339.db2.gz KNIGOAABOFYROJ-RXVVDRJESA-N 1 0 408.571 4.131 50 0 HIAARO COc1ccc(NC(=O)CCC2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC000015075509 558716015 /nfs/dbraw/zinc/71/60/15/558716015.db2.gz FVKIKTSHLXUKNJ-LJQANCHMSA-N 1 0 418.578 4.340 50 0 HIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000015107175 558723208 /nfs/dbraw/zinc/72/32/08/558723208.db2.gz PIVDIKKSTPKCDY-FUHWJXTLSA-N 1 0 406.555 4.252 50 0 HIAARO O=C(Cc1csc(-c2ccc(F)cc2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000030057244 558727011 /nfs/dbraw/zinc/72/70/11/558727011.db2.gz LHLDPHNVOVLTOU-UHFFFAOYSA-N 1 0 409.530 4.273 50 0 HIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000016339219 558786910 /nfs/dbraw/zinc/78/69/10/558786910.db2.gz CJDIPKKPJXKBCL-HXUWFJFHSA-N 1 0 417.347 4.253 50 0 HIAARO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCC[NH+](C)C)C3=O ZINC000016750943 558804680 /nfs/dbraw/zinc/80/46/80/558804680.db2.gz SXEXBWAUAJTLCO-FQEVSTJZSA-N 1 0 410.901 4.252 50 0 HIAARO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039466477 558821445 /nfs/dbraw/zinc/82/14/45/558821445.db2.gz HVNAHHKBCKYEDB-LJQANCHMSA-N 1 0 403.592 4.160 50 0 HIAARO Cc1cc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)cc1Cl ZINC000017093422 558821957 /nfs/dbraw/zinc/82/19/57/558821957.db2.gz DPIJFLWWEJPJLZ-UHFFFAOYSA-N 1 0 423.022 4.232 50 0 HIAARO CC1(C)C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CCO1 ZINC000019223448 558852279 /nfs/dbraw/zinc/85/22/79/558852279.db2.gz GMWWFLVWAMLTHB-LJQANCHMSA-N 1 0 405.498 4.315 50 0 HIAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028853 558852523 /nfs/dbraw/zinc/85/25/23/558852523.db2.gz UHMZYEGEQRNUQO-UHFFFAOYSA-N 1 0 407.470 4.002 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CSc4ccccc4)ccc3n2)CC1 ZINC000033084655 558868838 /nfs/dbraw/zinc/86/88/38/558868838.db2.gz SACWUIXSAAGMQK-UHFFFAOYSA-N 1 0 420.582 4.416 50 0 HIAARO Cn1cc(C[N@H+](C)Cc2cccc3ncccc23)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055099970 558872355 /nfs/dbraw/zinc/87/23/55/558872355.db2.gz PZHXHZYDODJADN-UHFFFAOYSA-N 1 0 400.482 4.039 50 0 HIAARO O=C(/C=C/c1cccc(Cl)c1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055165898 558874816 /nfs/dbraw/zinc/87/48/16/558874816.db2.gz AJJRGMUGVUHDRC-RGPPVUSESA-N 1 0 409.961 4.166 50 0 HIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(OC)c(OC)c3)n2CCOC)cc1 ZINC000004679105 558890314 /nfs/dbraw/zinc/89/03/14/558890314.db2.gz LTQMWGVDPDCORO-UHFFFAOYSA-N 1 0 411.502 4.225 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)cc2C)CC1 ZINC000057984672 558892196 /nfs/dbraw/zinc/89/21/96/558892196.db2.gz LYTNASORILTLNW-UHFFFAOYSA-N 1 0 411.594 4.464 50 0 HIAARO CC[C@](C)(CNC(=O)Nc1ccc(N2CCc3ccccc32)cc1)N1CCOCC1 ZINC000058157671 558903354 /nfs/dbraw/zinc/90/33/54/558903354.db2.gz SYYCXJUKQBGXTA-XMMPIXPASA-N 1 0 408.546 4.003 50 0 HIAARO CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004700291 558907775 /nfs/dbraw/zinc/90/77/75/558907775.db2.gz MOFMAJJBWQMPMW-UHFFFAOYSA-N 1 0 419.613 4.366 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc2ccccc21 ZINC000058170332 558907887 /nfs/dbraw/zinc/90/78/87/558907887.db2.gz IATAOAMFOAPWLJ-OAHLLOKOSA-N 1 0 405.889 4.363 50 0 HIAARO Cc1cccc2c(C(=O)N(C)C3CC[NH+](C)CC3)cc(-c3cnn(C(C)C)c3)nc12 ZINC000063834237 558959257 /nfs/dbraw/zinc/95/92/57/558959257.db2.gz HGSRKDNEWRWLMM-UHFFFAOYSA-N 1 0 405.546 4.154 50 0 HIAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000065365679 558976699 /nfs/dbraw/zinc/97/66/99/558976699.db2.gz QRQDEUNQRIRTHF-IBGZPJMESA-N 1 0 402.922 4.330 50 0 HIAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977169 /nfs/dbraw/zinc/97/71/69/558977169.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 1 0 419.500 4.438 50 0 HIAARO C[C@H](NC(=S)Nc1ccccc1Cl)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031461 558985409 /nfs/dbraw/zinc/98/54/09/558985409.db2.gz WJFJCKIMYLSMDE-OXJNMPFZSA-N 1 0 402.995 4.004 50 0 HIAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000067602215 558988018 /nfs/dbraw/zinc/98/80/18/558988018.db2.gz MUYMDCDBUZLCTE-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000067603576 558988119 /nfs/dbraw/zinc/98/81/19/558988119.db2.gz UYVPGPMZBFBVDO-UHFFFAOYSA-N 1 0 418.559 4.092 50 0 HIAARO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000097105377 558993836 /nfs/dbraw/zinc/99/38/36/558993836.db2.gz RXXHLKFFQKDBOW-ZWKOTPCHSA-N 1 0 414.550 4.330 50 0 HIAARO Cc1ncsc1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000077383570 559003129 /nfs/dbraw/zinc/00/31/29/559003129.db2.gz JNBGRSQWPUNPSY-JOCHJYFZSA-N 1 0 401.551 4.038 50 0 HIAARO CCCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023211936 559058988 /nfs/dbraw/zinc/05/89/88/559058988.db2.gz PCERGTMSKSOCSQ-OAQYLSRUSA-N 1 0 402.966 4.163 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000023211944 559059077 /nfs/dbraw/zinc/05/90/77/559059077.db2.gz KHNDHMJNISVDDO-OAQYLSRUSA-N 1 0 402.966 4.334 50 0 HIAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)CN1Cc1ccncc1 ZINC000091694893 559073110 /nfs/dbraw/zinc/07/31/10/559073110.db2.gz MGVSBYAJKZTMBP-UHFFFAOYSA-N 1 0 401.913 4.279 50 0 HIAARO O=C1CCC2(CC[NH+](Cc3ccc4occc4c3)CC2)CN1CCc1ccccn1 ZINC000095370031 559080215 /nfs/dbraw/zinc/08/02/15/559080215.db2.gz BKBAVJOQAXIUTD-UHFFFAOYSA-N 1 0 403.526 4.275 50 0 HIAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000096766511 559112274 /nfs/dbraw/zinc/11/22/74/559112274.db2.gz TWAWXVDHYNFFEA-UHFFFAOYSA-N 1 0 401.489 4.166 50 0 HIAARO Cn1cc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011661493 559127145 /nfs/dbraw/zinc/12/71/45/559127145.db2.gz OWSYJJCJMYBFDY-UHFFFAOYSA-N 1 0 419.403 4.047 50 0 HIAARO CCOc1c(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)cc1OC ZINC000113398635 559180416 /nfs/dbraw/zinc/18/04/16/559180416.db2.gz VWCHQVVXEPEDPY-UHFFFAOYSA-N 1 0 404.308 4.065 50 0 HIAARO COc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)c1OC(C)C ZINC000113401177 559180727 /nfs/dbraw/zinc/18/07/27/559180727.db2.gz QOMUHNZFPYOPPF-UHFFFAOYSA-N 1 0 418.335 4.454 50 0 HIAARO Cc1cc2c(cc(C(=O)NCC[NH+]3CCCCC3)n2CCCOc2ccccc2)o1 ZINC000035838380 559187973 /nfs/dbraw/zinc/18/79/73/559187973.db2.gz VTXPDSRCYADMNI-UHFFFAOYSA-N 1 0 409.530 4.228 50 0 HIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004900288 559199328 /nfs/dbraw/zinc/19/93/28/559199328.db2.gz LMBOWJVWXGSASV-OAQYLSRUSA-N 1 0 419.525 4.202 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000004954893 559216503 /nfs/dbraw/zinc/21/65/03/559216503.db2.gz IPMGNYYKOOGGAS-JOCHJYFZSA-N 1 0 421.541 4.449 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000061992871 560568807 /nfs/dbraw/zinc/56/88/07/560568807.db2.gz VHKAGAPLPOVTCQ-XFLMGFCPSA-N 1 0 412.549 4.262 50 0 HIAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@@H](c1ccc(C)cc1)c1ccc(O)cc1O2 ZINC000005345859 560570099 /nfs/dbraw/zinc/57/00/99/560570099.db2.gz CDTUJNOHEAJHKQ-NRFANRHFSA-N 1 0 404.514 4.004 50 0 HIAARO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000017741205 560724584 /nfs/dbraw/zinc/72/45/84/560724584.db2.gz ZACIBBGLOBGOIC-LJQANCHMSA-N 1 0 410.539 4.118 50 0 HIAARO COc1cc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1OC(F)F ZINC000018205093 560784267 /nfs/dbraw/zinc/78/42/67/560784267.db2.gz YTUXJGJBCHHKSR-UHFFFAOYSA-N 1 0 418.484 4.255 50 0 HIAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3cccc4cnccc43)CC2)cc1F ZINC000047325336 560886160 /nfs/dbraw/zinc/88/61/60/560886160.db2.gz HNYKLDSWQBRBDA-UHFFFAOYSA-N 1 0 408.477 4.169 50 0 HIAARO COc1cc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)ccc1OCc1c(C)noc1C ZINC000048237364 568433061 /nfs/dbraw/zinc/43/30/61/568433061.db2.gz XANDVHIACACZGL-JOCHJYFZSA-N 1 0 412.534 4.280 50 0 HIAARO COc1cc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)ccc1OCc1c(C)noc1C ZINC000048237362 568433070 /nfs/dbraw/zinc/43/30/70/568433070.db2.gz XANDVHIACACZGL-QFIPXVFZSA-N 1 0 412.534 4.280 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000048332231 568439986 /nfs/dbraw/zinc/43/99/86/568439986.db2.gz OPCZHKOLCNRFFK-FQEVSTJZSA-N 1 0 414.575 4.189 50 0 HIAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000048344595 568440883 /nfs/dbraw/zinc/44/08/83/568440883.db2.gz QMBIXNGPJKKKLF-UHFFFAOYSA-N 1 0 408.527 4.384 50 0 HIAARO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C(F)(F)F)c1 ZINC000048374939 568442323 /nfs/dbraw/zinc/44/23/23/568442323.db2.gz VVUORSGMSZQEPR-UHFFFAOYSA-N 1 0 408.424 4.047 50 0 HIAARO O=C(Nc1ccc2c(c1)OCCCO2)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604405061 568492510 /nfs/dbraw/zinc/49/25/10/568492510.db2.gz VBXISMSFVRBMGZ-PZJWPPBQSA-N 1 0 413.562 4.356 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)c3ccccc3n2)cc1OC ZINC000022754769 568500149 /nfs/dbraw/zinc/50/01/49/568500149.db2.gz SJWIMTSJQAKJNZ-QFIPXVFZSA-N 1 0 421.541 4.235 50 0 HIAARO COc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440516 568607606 /nfs/dbraw/zinc/60/76/06/568607606.db2.gz XXRNUFCYZXIVJM-SVBPBHIXSA-N 1 0 417.549 4.242 50 0 HIAARO C[C@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000095459801 568620024 /nfs/dbraw/zinc/62/00/24/568620024.db2.gz LSQIUJRYJRIVFC-GOSISDBHSA-N 1 0 407.489 4.076 50 0 HIAARO CC(=O)Nc1ccn([C@H]2CC[N@H+](CC(Cc3ccccc3)Cc3ccccc3)C2)n1 ZINC000225423522 568636811 /nfs/dbraw/zinc/63/68/11/568636811.db2.gz KARNLJCDSALMLB-DEOSSOPVSA-N 1 0 402.542 4.190 50 0 HIAARO CCN1c2cc(NC(=O)NC[C@H]3CCC[N@@H+]3CC)ccc2Sc2ccccc2C1=O ZINC000020900710 568649863 /nfs/dbraw/zinc/64/98/63/568649863.db2.gz FPDXLLYCZPGWAL-QGZVFWFLSA-N 1 0 424.570 4.424 50 0 HIAARO C[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000020927329 568651545 /nfs/dbraw/zinc/65/15/45/568651545.db2.gz OKPHPIJTOCYSCZ-UHFFFAOYSA-N 1 0 402.470 4.127 50 0 HIAARO Cc1cccc(C)c1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000020940957 568652716 /nfs/dbraw/zinc/65/27/16/568652716.db2.gz XDZNPQXPJJRRKT-UHFFFAOYSA-N 1 0 410.468 4.487 50 0 HIAARO COC[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000225770742 568673056 /nfs/dbraw/zinc/67/30/56/568673056.db2.gz IHRBAUWKEGMRHW-LAUBAEHRSA-N 1 0 420.475 4.487 50 0 HIAARO CC(C)([C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096012770 568685170 /nfs/dbraw/zinc/68/51/70/568685170.db2.gz NAEHHSVVIPWUPM-OAQYLSRUSA-N 1 0 423.454 4.387 50 0 HIAARO CCC[NH+]1CCN(C(=O)[C@@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000021349368 568687677 /nfs/dbraw/zinc/68/76/77/568687677.db2.gz JGSNHNJGLWDRNC-QGZVFWFLSA-N 1 0 410.949 4.472 50 0 HIAARO Cc1ccccc1C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccsc3)CC2)nc1 ZINC000096281049 568718569 /nfs/dbraw/zinc/71/85/69/568718569.db2.gz VOQDEOZRTCNWSO-UHFFFAOYSA-N 1 0 406.555 4.416 50 0 HIAARO Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000096386172 568742623 /nfs/dbraw/zinc/74/26/23/568742623.db2.gz STZBXYSJLSLIFA-UHFFFAOYSA-N 1 0 416.569 4.321 50 0 HIAARO O=C(c1ccc(Cl)cc1)c1ccc2c(c1)[n+](=O)c(-c1ccccc1)c1n2CCN1 ZINC000247408070 568745092 /nfs/dbraw/zinc/74/50/92/568745092.db2.gz OWULTMSZUCESSK-UHFFFAOYSA-N 1 0 401.853 4.434 50 0 HIAARO O[C@@H](C[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 ZINC000247733767 568745697 /nfs/dbraw/zinc/74/56/97/568745697.db2.gz JCZUOEYZHPNMSI-QHCPKHFHSA-N 1 0 418.928 4.470 50 0 HIAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21 ZINC000248164445 568747998 /nfs/dbraw/zinc/74/79/98/568747998.db2.gz NLKZLGHGTFAOQX-NRFANRHFSA-N 1 0 404.558 4.188 50 0 HIAARO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248177251 568748018 /nfs/dbraw/zinc/74/80/18/568748018.db2.gz ZNXSJUXGYXTUPM-OAQYLSRUSA-N 1 0 404.558 4.454 50 0 HIAARO Fc1cc(F)cc(-c2noc3ncnc(NCCC[N@@H+]4CCc5ccccc5C4)c32)c1 ZINC000021714764 568748825 /nfs/dbraw/zinc/74/88/25/568748825.db2.gz AZWGUVJZWPKKNH-UHFFFAOYSA-N 1 0 421.451 4.423 50 0 HIAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1)C1CCCC1 ZINC000015072910 568749345 /nfs/dbraw/zinc/74/93/45/568749345.db2.gz UFAUFZXFFXNSAO-UHFFFAOYSA-N 1 0 421.541 4.303 50 0 HIAARO CCOC(=O)Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718209 568750520 /nfs/dbraw/zinc/75/05/20/568750520.db2.gz XYWNAYPDYVBNCJ-OALUTQOASA-N 1 0 415.578 4.014 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000000934789 568751703 /nfs/dbraw/zinc/75/17/03/568751703.db2.gz YQZPUSXTOASAFJ-MRXNPFEDSA-N 1 0 402.292 4.008 50 0 HIAARO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000056216107 568794585 /nfs/dbraw/zinc/79/45/85/568794585.db2.gz IHEQVCFKVZAIRU-CVDCTZTESA-N 1 0 407.558 4.155 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002648733 568795713 /nfs/dbraw/zinc/79/57/13/568795713.db2.gz HQXPVMXSXNSMMW-DEOSSOPVSA-N 1 0 404.510 4.064 50 0 HIAARO COc1c(Cl)cc(Cl)cc1/C=C\C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000005844100 568825669 /nfs/dbraw/zinc/82/56/69/568825669.db2.gz IAAHLEKPXRRUHV-BAQGIRSFSA-N 1 0 420.340 4.406 50 0 HIAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000001834828 568838226 /nfs/dbraw/zinc/83/82/26/568838226.db2.gz BNAGXCARSRAPFM-LJQANCHMSA-N 1 0 419.477 4.464 50 0 biogenic HIAARO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C[NH2+]Cc1ccccc1 ZINC000057523052 568850428 /nfs/dbraw/zinc/85/04/28/568850428.db2.gz HLWIRSPGIZWILE-UHFFFAOYSA-N 1 0 424.522 4.329 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000012594940 568868830 /nfs/dbraw/zinc/86/88/30/568868830.db2.gz HQSGBOQFUQLBNY-VWLOTQADSA-N 1 0 423.557 4.374 50 0 HIAARO CN1C(=S)N=NC1CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000217339064 568871073 /nfs/dbraw/zinc/87/10/73/568871073.db2.gz WCMBXUOBMPWAFG-UHFFFAOYSA-N 1 0 400.551 4.228 50 0 HIAARO COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917904 /nfs/dbraw/zinc/91/79/04/568917904.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 1 0 402.510 4.062 50 0 HIAARO COc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2[C@@H]2CCC[N@@H+]2C)cc1 ZINC000003999618 568932127 /nfs/dbraw/zinc/93/21/27/568932127.db2.gz DCBPZXJQMSMMON-QFIPXVFZSA-N 1 0 412.493 4.223 50 0 biogenic HIAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000084185757 568943800 /nfs/dbraw/zinc/94/38/00/568943800.db2.gz BXLBMDFAYLQFDS-HSZRJFAPSA-N 1 0 416.587 4.447 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000012760196 568944096 /nfs/dbraw/zinc/94/40/96/568944096.db2.gz GDRQHPCBMUDHEG-KRWDZBQOSA-N 1 0 408.502 4.171 50 0 HIAARO O=C(CCc1cnn(-c2ccccc2)c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012762440 568946692 /nfs/dbraw/zinc/94/66/92/568946692.db2.gz DMDQPWLUEGGIGN-QHCPKHFHSA-N 1 0 422.960 4.412 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(COc2ccc(F)cc2)o1 ZINC000012783737 568959249 /nfs/dbraw/zinc/95/92/49/568959249.db2.gz VZZQNAQGWXTMRD-UHFFFAOYSA-N 1 0 408.473 4.392 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(C)cc1 ZINC000004315480 568961779 /nfs/dbraw/zinc/96/17/79/568961779.db2.gz BGOIPOYQWLDBBM-UHFFFAOYSA-N 1 0 409.530 4.219 50 0 HIAARO CC(C)[N@H+](CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccccc1 ZINC000015674419 568962777 /nfs/dbraw/zinc/96/27/77/568962777.db2.gz SGGPYJKWBQLOGG-UHFFFAOYSA-N 1 0 418.541 4.010 50 0 HIAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008071160 568971433 /nfs/dbraw/zinc/97/14/33/568971433.db2.gz UBGZOFHDRXDEDA-UHFFFAOYSA-N 1 0 408.933 4.360 50 0 HIAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000006057311 568989802 /nfs/dbraw/zinc/98/98/02/568989802.db2.gz RYKZIJDNXVDKHS-YOEHRIQHSA-N 1 0 422.451 4.047 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1 ZINC000015772820 568998834 /nfs/dbraw/zinc/99/88/34/568998834.db2.gz WRVXRRLRWUEXHS-UHFFFAOYSA-N 1 0 414.553 4.126 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000012849697 569010358 /nfs/dbraw/zinc/01/03/58/569010358.db2.gz GDOFOINTBMDLGH-HSZRJFAPSA-N 1 0 402.494 4.375 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(-c2ccccc2)cc1 ZINC000012914310 569022110 /nfs/dbraw/zinc/02/21/10/569022110.db2.gz RWOWDCUHWFDXHU-OAHLLOKOSA-N 1 0 419.550 4.292 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000012918356 569022692 /nfs/dbraw/zinc/02/26/92/569022692.db2.gz KCVOIXNWFPPNNM-UHFFFAOYSA-N 1 0 416.496 4.451 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)cc2C)CC1 ZINC000016299853 569031100 /nfs/dbraw/zinc/03/11/00/569031100.db2.gz DPOFJUXJGIDOKD-IZZDOVSWSA-N 1 0 415.484 4.390 50 0 HIAARO CC[C@@H]1Cn2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3cccc(c32)O1 ZINC000035373621 569034214 /nfs/dbraw/zinc/03/42/14/569034214.db2.gz OAIOAETXWUDWGN-OAQYLSRUSA-N 1 0 403.526 4.207 50 0 HIAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000229895182 569040688 /nfs/dbraw/zinc/04/06/88/569040688.db2.gz APDSVPCODGPRAN-DOPJRALCSA-N 1 0 422.451 4.292 50 0 HIAARO O=C(Cc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000035598036 569045758 /nfs/dbraw/zinc/04/57/58/569045758.db2.gz ZFKLBTHDGIRBTC-UHFFFAOYSA-N 1 0 420.944 4.238 50 0 HIAARO O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000013003217 569049334 /nfs/dbraw/zinc/04/93/34/569049334.db2.gz CMZJVVGEKGXBPC-OAQYLSRUSA-N 1 0 407.489 4.367 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000013012458 569050622 /nfs/dbraw/zinc/05/06/22/569050622.db2.gz SWIYCIBSZDCDBS-QHCPKHFHSA-N 1 0 422.573 4.130 50 0 HIAARO Fc1cccc(-c2noc([C@@H]3CCCN([C@H]4CC[N@H+](CCc5ccccc5)C4)C3)n2)c1 ZINC000241157309 569054666 /nfs/dbraw/zinc/05/46/66/569054666.db2.gz JWRJTAHOCNAGTF-GGAORHGYSA-N 1 0 420.532 4.372 50 0 HIAARO CCOc1ccc(Cl)c(C(=O)OC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)n1 ZINC000241644463 569054907 /nfs/dbraw/zinc/05/49/07/569054907.db2.gz PQYVLJAMOZKEMH-KKSFZXQISA-N 1 0 418.921 4.382 50 0 HIAARO C[NH+]1CCN(CCOc2ccccc2NC(=O)CCc2ccc3ccccc3c2)CC1 ZINC000089382710 569058797 /nfs/dbraw/zinc/05/87/97/569058797.db2.gz MZZQWSZJXIXOSN-UHFFFAOYSA-N 1 0 417.553 4.037 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)cc1 ZINC000036031455 569081159 /nfs/dbraw/zinc/08/11/59/569081159.db2.gz BEQYWLBUTVPFCO-JOCHJYFZSA-N 1 0 405.494 4.166 50 0 HIAARO Cc1ccccc1CN(Cc1nc(C(=O)NCC[NH+](C)C)co1)[C@H](C)c1ccccc1 ZINC000036073531 569086916 /nfs/dbraw/zinc/08/69/16/569086916.db2.gz IKHMXISKQGONBG-HXUWFJFHSA-N 1 0 420.557 4.038 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103630 569092221 /nfs/dbraw/zinc/09/22/21/569092221.db2.gz XBLZXZAHTKXOEW-DEOSSOPVSA-N 1 0 421.537 4.284 50 0 HIAARO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)C1 ZINC000036145789 569098390 /nfs/dbraw/zinc/09/83/90/569098390.db2.gz YRCHGKSTGZSKFU-XZOQPEGZSA-N 1 0 410.558 4.024 50 0 HIAARO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)C1 ZINC000036145788 569098468 /nfs/dbraw/zinc/09/84/68/569098468.db2.gz YRCHGKSTGZSKFU-GOTSBHOMSA-N 1 0 410.558 4.024 50 0 HIAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145886 569098508 /nfs/dbraw/zinc/09/85/08/569098508.db2.gz JANGWTKBWNVUSY-YADHBBJMSA-N 1 0 416.949 4.121 50 0 HIAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145960 569098650 /nfs/dbraw/zinc/09/86/50/569098650.db2.gz YCOIQORDEYDQNG-YADHBBJMSA-N 1 0 416.949 4.121 50 0 HIAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CCC(C)C)C[C@H](O)COC ZINC000036248935 569117965 /nfs/dbraw/zinc/11/79/65/569117965.db2.gz RIEURNYUTOLULU-FQEVSTJZSA-N 1 0 403.567 4.043 50 0 HIAARO CCN(CC)c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1ccccc1 ZINC000036249511 569118520 /nfs/dbraw/zinc/11/85/20/569118520.db2.gz FTKWEORNINOENW-UHFFFAOYSA-N 1 0 420.557 4.392 50 0 HIAARO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036304784 569129004 /nfs/dbraw/zinc/12/90/04/569129004.db2.gz GEVSUYAJPPFBMJ-JOCHJYFZSA-N 1 0 423.557 4.499 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)C1 ZINC000006806257 569131004 /nfs/dbraw/zinc/13/10/04/569131004.db2.gz KDXQGPFMMPTGGP-QZTJIDSGSA-N 1 0 414.619 4.384 50 0 HIAARO CCCC[N@H+](CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817724 569138698 /nfs/dbraw/zinc/13/86/98/569138698.db2.gz CZADVMVYMABWEY-UHFFFAOYSA-N 1 0 424.570 4.318 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3OC)C2)cc1 ZINC000036341426 569141959 /nfs/dbraw/zinc/14/19/59/569141959.db2.gz ZRUPGJMOTXMHIY-MBSDFSHPSA-N 1 0 421.541 4.256 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036341351 569142019 /nfs/dbraw/zinc/14/20/19/569142019.db2.gz VXRPAUHUZFFSCH-HXOBKFHXSA-N 1 0 409.505 4.386 50 0 HIAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C)CC2)[C@H](c2cccc(F)c2)C1 ZINC000036344828 569142870 /nfs/dbraw/zinc/14/28/70/569142870.db2.gz NJWWOBBSJBUUQH-QFIPXVFZSA-N 1 0 409.505 4.244 50 0 HIAARO COc1cc(OC)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000006877352 569164171 /nfs/dbraw/zinc/16/41/71/569164171.db2.gz HPXYEKVNIVTOKG-UHFFFAOYSA-N 1 0 409.958 4.477 50 0 HIAARO CSc1ncccc1-c1nc(-c2ccc3c(c2)ncn3CC[NH+]2CCCCC2)no1 ZINC000065255051 569207612 /nfs/dbraw/zinc/20/76/12/569207612.db2.gz GDDJIUMOLVENFW-UHFFFAOYSA-N 1 0 420.542 4.356 50 0 HIAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1Br ZINC000007448818 569239418 /nfs/dbraw/zinc/23/94/18/569239418.db2.gz SRLBRDQIEVXWPN-UHFFFAOYSA-N 1 0 417.347 4.374 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000170599316 569242723 /nfs/dbraw/zinc/24/27/23/569242723.db2.gz NBISRCSIMOAJRK-QHCPKHFHSA-N 1 0 420.532 4.269 50 0 HIAARO Cc1noc2nc(-c3cccs3)cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c12 ZINC000014047951 569258492 /nfs/dbraw/zinc/25/84/92/569258492.db2.gz MXLQDHVELRIUNX-KRWDZBQOSA-N 1 0 422.510 4.420 50 0 HIAARO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Cl)c1 ZINC000089702556 569262834 /nfs/dbraw/zinc/26/28/34/569262834.db2.gz VASBXQLMHLENJR-OAQYLSRUSA-N 1 0 408.933 4.473 50 0 HIAARO Cc1nc(-c2cccc(C(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)no1 ZINC000089718495 569263049 /nfs/dbraw/zinc/26/30/49/569263049.db2.gz AGCINDKGGXKNOT-XLIONFOSSA-N 1 0 404.514 4.076 50 0 HIAARO Cc1cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000016993694 569270836 /nfs/dbraw/zinc/27/08/36/569270836.db2.gz PFAYJGHDETZCAQ-DEOSSOPVSA-N 1 0 421.516 4.266 50 0 HIAARO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000252486523 569289362 /nfs/dbraw/zinc/28/93/62/569289362.db2.gz KQXCZCKCZIAWRD-ZCNNSNEGSA-N 1 0 417.594 4.147 50 0 HIAARO CCN1C[C@@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1=O ZINC000012055367 569365146 /nfs/dbraw/zinc/36/51/46/569365146.db2.gz MPTLJRKEEAKIRR-LJQANCHMSA-N 1 0 420.532 4.287 50 0 HIAARO COc1ccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc1OC ZINC000253398433 569365424 /nfs/dbraw/zinc/36/54/24/569365424.db2.gz CDPDJSWPHRTENH-MSZDEVHKSA-N 1 0 424.585 4.058 50 0 HIAARO Brc1ccc2[nH]c3c(ncnc3N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000002302281 569372217 /nfs/dbraw/zinc/37/22/17/569372217.db2.gz KGIGHECWVIBXCC-UHFFFAOYSA-N 1 0 414.351 4.328 50 0 HIAARO CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067714 569426546 /nfs/dbraw/zinc/42/65/46/569426546.db2.gz JVNZEMYXBWEJSX-LAUBAEHRSA-N 1 0 424.545 4.343 50 0 HIAARO O=C(c1cnc2ccc(F)cc2c1N1CC[NH+](C2CCCCC2)CC1)N1CCCC1 ZINC000067287963 571065870 /nfs/dbraw/zinc/06/58/70/571065870.db2.gz LQSIQPXCJSUGOP-UHFFFAOYSA-N 1 0 410.537 4.065 50 0 HIAARO Cc1cc2oc(=O)c(CC(=O)NCC[NH+](C)C)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008764637 571114988 /nfs/dbraw/zinc/11/49/88/571114988.db2.gz SCGZHLOJBVFJJB-UHFFFAOYSA-N 1 0 418.493 4.043 50 0 HIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000040069048 571149261 /nfs/dbraw/zinc/14/92/61/571149261.db2.gz OYDRKCRBFMJREU-UHFFFAOYSA-N 1 0 407.558 4.333 50 0 HIAARO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 ZINC000040089755 571159760 /nfs/dbraw/zinc/15/97/60/571159760.db2.gz XGGUMTWDVWBRKO-UHFFFAOYSA-N 1 0 422.754 4.102 50 0 HIAARO Fc1ccc(-n2ncc3c2ncnc3NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008944995 571171546 /nfs/dbraw/zinc/17/15/46/571171546.db2.gz WETLXVFMDJBLRX-UHFFFAOYSA-N 1 0 402.477 4.163 50 0 HIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000040118852 571175008 /nfs/dbraw/zinc/17/50/08/571175008.db2.gz KPFHQJUUZLJRAF-PMACEKPBSA-N 1 0 417.557 4.032 50 0 HIAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000040142748 571193572 /nfs/dbraw/zinc/19/35/72/571193572.db2.gz HIJJVJCJIWDQGB-XMMPIXPASA-N 1 0 416.569 4.134 50 0 HIAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000245225095 571217542 /nfs/dbraw/zinc/21/75/42/571217542.db2.gz MNNOYICWPVJMDY-MCIONIFRSA-N 1 0 424.916 4.385 50 0 HIAARO Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000245281364 571222652 /nfs/dbraw/zinc/22/26/52/571222652.db2.gz XQZVPFJRKSLDTP-NHCUHLMSSA-N 1 0 414.594 4.010 50 0 HIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4nc5ccccc5s4)cc3s2)CC1 ZINC000009316228 571247557 /nfs/dbraw/zinc/24/75/57/571247557.db2.gz YHZBWGFIMCBKQC-UHFFFAOYSA-N 1 0 424.551 4.267 50 0 HIAARO CC(C)c1nc2sc3c(ncn(CC[NH+]4CCCCC4)c3=O)c2c2c1CCCC2 ZINC000009423116 571257469 /nfs/dbraw/zinc/25/74/69/571257469.db2.gz KXEKMXXSERCHDB-UHFFFAOYSA-N 1 0 410.587 4.494 50 0 HIAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1cccc2ccccc21 ZINC000009515976 571264962 /nfs/dbraw/zinc/26/49/62/571264962.db2.gz HHNOKQVZRWFKKD-FQEVSTJZSA-N 1 0 421.585 4.132 50 0 HIAARO O=C(Cc1csc(-c2ccc(F)cc2)n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000009547510 571267776 /nfs/dbraw/zinc/26/77/76/571267776.db2.gz OYWMOFLYQJVGIE-UHFFFAOYSA-N 1 0 409.530 4.404 50 0 HIAARO Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000009916987 571290165 /nfs/dbraw/zinc/29/01/65/571290165.db2.gz LCGRWGMFXFWOPD-UHFFFAOYSA-N 1 0 401.304 4.495 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000010213884 571296738 /nfs/dbraw/zinc/29/67/38/571296738.db2.gz FFAAIEWCXYAZIE-GOSISDBHSA-N 1 0 411.889 4.034 50 0 HIAARO CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010214332 571296783 /nfs/dbraw/zinc/29/67/83/571296783.db2.gz JIJTUQIKVSUPFK-JOCHJYFZSA-N 1 0 421.541 4.449 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(F)c1)N(CCC[NH+](C)C)C3=O ZINC000010233137 571297501 /nfs/dbraw/zinc/29/75/01/571297501.db2.gz NHWPEZPDTUEYCI-NRFANRHFSA-N 1 0 408.473 4.046 50 0 HIAARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010334111 571300800 /nfs/dbraw/zinc/30/08/00/571300800.db2.gz ONCKQAIUIWDVDU-XMMPIXPASA-N 1 0 415.537 4.294 50 0 HIAARO O=C(Cc1ccc(F)cc1)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000011999280 845846727 /nfs/dbraw/zinc/84/67/27/845846727.db2.gz NNEJLKULBYSLEH-UHFFFAOYSA-N 1 0 410.533 4.424 50 0 HIAARO Cc1nc(N2CCC[C@H]([N@@H+]3CCOc4ccccc4C3)CC2)nc2ccc(F)cc12 ZINC000012054197 845851419 /nfs/dbraw/zinc/85/14/19/845851419.db2.gz LIPAJVMBFIUJKO-FQEVSTJZSA-N 1 0 406.505 4.331 50 0 HIAARO COc1cc(CN(C)Cc2ccccc2Cl)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012094439 845853215 /nfs/dbraw/zinc/85/32/15/845853215.db2.gz ZDURQBIHZMSMEJ-FQEVSTJZSA-N 1 0 420.981 4.061 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1sc2ncnc(N[C@@H](C)c3cccs3)c2c1C ZINC000012191455 845858513 /nfs/dbraw/zinc/85/85/13/845858513.db2.gz FOWRIUOOZUVRRJ-AWEZNQCLSA-N 1 0 417.604 4.306 50 0 HIAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000012242433 845861685 /nfs/dbraw/zinc/86/16/85/845861685.db2.gz BWJSATZKVIDFCG-UHFFFAOYSA-N 1 0 404.514 4.423 50 0 HIAARO Cc1ccc(C)c(-n2cc(C[NH2+]CCSc3c[nH]nn3)c(-c3ccccc3)n2)c1 ZINC000012299806 845865912 /nfs/dbraw/zinc/86/59/12/845865912.db2.gz RYCOOMXIIUEKNR-UHFFFAOYSA-N 1 0 404.543 4.156 50 0 HIAARO Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012283608 845865947 /nfs/dbraw/zinc/86/59/47/845865947.db2.gz DSTISHWXHSEWJC-ZDUSSCGKSA-N 1 0 417.966 4.118 50 0 HIAARO OC[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012298228 845866067 /nfs/dbraw/zinc/86/60/67/845866067.db2.gz FYZYOQQOWHXROR-VWLOTQADSA-N 1 0 419.525 4.313 50 0 HIAARO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc(C)c1O ZINC000012432275 845870141 /nfs/dbraw/zinc/87/01/41/845870141.db2.gz FDCCUXRXFWKTEJ-HXUWFJFHSA-N 1 0 404.514 4.250 50 0 HIAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012430299 845870331 /nfs/dbraw/zinc/87/03/31/845870331.db2.gz FZXUDWMLIJHVPM-KRWDZBQOSA-N 1 0 414.550 4.152 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000012449470 845871043 /nfs/dbraw/zinc/87/10/43/845871043.db2.gz NKWHYJLVQMDWEO-NJTIBFSMSA-N 1 0 421.585 4.297 50 0 HIAARO CC(=O)N1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 ZINC000012579477 845877053 /nfs/dbraw/zinc/87/70/53/845877053.db2.gz PBZIUKWDPCMXPD-UHFFFAOYSA-N 1 0 406.505 4.041 50 0 HIAARO Cc1cc(C)n(-c2cccc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCC[N@H+]35)c2)n1 ZINC000012587349 845877495 /nfs/dbraw/zinc/87/74/95/845877495.db2.gz BYKSMTCORMTLPG-CVJWPJSTSA-N 1 0 412.537 4.432 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1cccc(C(F)(F)F)c1 ZINC000014886857 845989490 /nfs/dbraw/zinc/98/94/90/845989490.db2.gz SOLPBZJPVPLZPC-LJQANCHMSA-N 1 0 406.448 4.255 50 0 HIAARO COc1cc(C[N@@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)ccc1F ZINC000014953871 845994198 /nfs/dbraw/zinc/99/41/98/845994198.db2.gz GQZBLWPMAMFVBM-UHFFFAOYSA-N 1 0 408.521 4.415 50 0 HIAARO C[C@@H](COc1ccccc1)[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000014974437 845995639 /nfs/dbraw/zinc/99/56/39/845995639.db2.gz GKIHLYFCWGVDQX-FQEVSTJZSA-N 1 0 418.541 4.169 50 0 HIAARO COc1ccc(CC[NH2+][C@@H]2CCc3c(sc4ncn(C5CCCC5)c(=O)c34)C2)cc1 ZINC000014978793 845995696 /nfs/dbraw/zinc/99/56/96/845995696.db2.gz PXBLNGOERXDDOD-QGZVFWFLSA-N 1 0 423.582 4.271 50 0 HIAARO CC(=O)Nc1ccc(C[N@@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)s1 ZINC000014992718 845996502 /nfs/dbraw/zinc/99/65/02/845996502.db2.gz PBNFDVYKPUKBEI-UHFFFAOYSA-N 1 0 423.586 4.287 50 0 HIAARO Cc1cc2nc(N3CCC([NH2+][C@@H](Cn4ccnc4)C(C)(C)C)CC3)nc(C)c2cc1C ZINC000014995456 845998105 /nfs/dbraw/zinc/99/81/05/845998105.db2.gz XIZPOCQVVLZTAK-QHCPKHFHSA-N 1 0 420.605 4.425 50 0 HIAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CCCCC2)C4)c1 ZINC000019742646 846372393 /nfs/dbraw/zinc/37/23/93/846372393.db2.gz HEEDXAGIIDEYET-SFHVURJKSA-N 1 0 423.582 4.295 50 0 HIAARO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCCN(CCCc3ccccc3)C2)cn1 ZINC000023359632 846689267 /nfs/dbraw/zinc/68/92/67/846689267.db2.gz DRAFBFQQSZUWJP-HSZRJFAPSA-N 1 0 416.569 4.339 50 0 HIAARO Cc1sc2[nH]c(C[N@@H+](C)C3CCC(CO)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000084171786 852544889 /nfs/dbraw/zinc/54/48/89/852544889.db2.gz IKFCZCLLINZOEG-UHFFFAOYSA-N 1 0 411.571 4.251 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C\C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000097999000 852648818 /nfs/dbraw/zinc/64/88/18/852648818.db2.gz ICLXQFATVCSRKA-KTKRTIGZSA-N 1 0 414.981 4.204 50 0 HIAARO O=c1cc(-c2c[nH]c3ccccc32)nc(-c2cccc(C[NH+]3CCSCC3)c2)[nH]1 ZINC000102612483 852664829 /nfs/dbraw/zinc/66/48/29/852664829.db2.gz ZDYOTEOPKCKHKI-UHFFFAOYSA-N 1 0 402.523 4.134 50 0 HIAARO O=C(NCCc1ccccc1)N(C1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000169760594 853657600 /nfs/dbraw/zinc/65/76/00/853657600.db2.gz YJGSIEACRYZLPK-UHFFFAOYSA-N 1 0 421.585 4.084 50 0 HIAARO O=C(c1cccnc1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776661 853661861 /nfs/dbraw/zinc/66/18/61/853661861.db2.gz TUOIRDNWQWDVEH-HSZRJFAPSA-N 1 0 423.532 4.039 50 0 HIAARO COc1ccccc1-c1n[nH]cc1CN1CC(F)(F)C[C@H]1C[NH+]1CCCCCC1 ZINC000257188807 854234215 /nfs/dbraw/zinc/23/42/15/854234215.db2.gz GIUSYMGXDLSLQW-SFHVURJKSA-N 1 0 404.505 4.171 50 0 HIAARO Cc1ccc(C)c(C[NH+]2CCC(N3CC(F)(F)C[C@H]3COc3cccnc3)CC2)c1 ZINC000257189238 854234240 /nfs/dbraw/zinc/23/42/40/854234240.db2.gz HWXHWCDVBUNJPB-QFIPXVFZSA-N 1 0 415.528 4.451 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(CCOc4cccc(C)c4)no3)C2)c1 ZINC000257193295 854234904 /nfs/dbraw/zinc/23/49/04/854234904.db2.gz XXDCWAMGWIOIFW-HXUWFJFHSA-N 1 0 407.514 4.388 50 0 HIAARO C[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000001447717 132246348 /nfs/dbraw/zinc/24/63/48/132246348.db2.gz FSALHPWRVFTJAZ-UHFFFAOYSA-N 1 0 403.917 4.493 50 0 HIAARO Cc1ccc(C[NH+]2CCN(c3cc(C)nc4c5c(nn43)nc(C)cc5C)CC2)c(C)c1 ZINC000002342238 132252858 /nfs/dbraw/zinc/25/28/58/132252858.db2.gz UBYSSEDHYVDFIQ-UHFFFAOYSA-N 1 0 414.557 4.142 50 0 HIAARO CC[NH+]1CCN(c2nc(SC(C)C)nc3sc4c(c32)CC(C)(C)OC4)CC1 ZINC000002409049 132254073 /nfs/dbraw/zinc/25/40/73/132254073.db2.gz SFUOEHHTJKWZRK-UHFFFAOYSA-N 1 0 406.621 4.185 50 0 HIAARO S=C(NCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 ZINC000005063720 132300100 /nfs/dbraw/zinc/30/01/00/132300100.db2.gz DPJGMUXKPLYRIU-UHFFFAOYSA-N 1 0 423.413 4.492 50 0 HIAARO O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012306766 132358306 /nfs/dbraw/zinc/35/83/06/132358306.db2.gz VIJTXYNOFHPCKJ-UHFFFAOYSA-N 1 0 419.613 4.460 50 0 HIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000027420834 521246615 /nfs/dbraw/zinc/24/66/15/521246615.db2.gz WJUDWWRKRSPXNH-DEOSSOPVSA-N 1 0 403.526 4.288 50 0 HIAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040720599 522449570 /nfs/dbraw/zinc/44/95/70/522449570.db2.gz ZNDFDGQTDZETRS-UHFFFAOYSA-N 1 0 401.309 4.371 50 0 HIAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cnc(C)[nH]3)C2)cc1 ZINC000042917346 523139136 /nfs/dbraw/zinc/13/91/36/523139136.db2.gz KFEVVEDGULOEOQ-IBGZPJMESA-N 1 0 404.514 4.244 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(c2cnccn2)C1)C1CCCCC1 ZINC000045714803 523376223 /nfs/dbraw/zinc/37/62/23/523376223.db2.gz UOODLHMASJADNT-HXUWFJFHSA-N 1 0 407.562 4.096 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C1CCCCC1 ZINC000032900665 523376530 /nfs/dbraw/zinc/37/65/30/523376530.db2.gz STVRTFJWAYRCGF-QFIPXVFZSA-N 1 0 407.514 4.179 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]CCCCCO)cc1 ZINC000040736431 525070185 /nfs/dbraw/zinc/07/01/85/525070185.db2.gz BCNGMBLKNGNWPY-UHFFFAOYSA-N 1 0 406.526 4.418 50 0 HIAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)c(C)c2c1 ZINC000020600341 525481730 /nfs/dbraw/zinc/48/17/30/525481730.db2.gz QRGVVBSBURSORU-QFIPXVFZSA-N 1 0 418.585 4.272 50 0 HIAARO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734654 526017005 /nfs/dbraw/zinc/01/70/05/526017005.db2.gz OUHPNDHCDZOBLV-UHFFFAOYSA-N 1 0 422.500 4.493 50 0 HIAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000020599543 526413285 /nfs/dbraw/zinc/41/32/85/526413285.db2.gz QXFHZAWDESGMHL-JOCHJYFZSA-N 1 0 419.548 4.002 50 0 HIAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000020540588 526413307 /nfs/dbraw/zinc/41/33/07/526413307.db2.gz BSQJFRIYCJCYDJ-QFIPXVFZSA-N 1 0 404.533 4.161 50 0 HIAARO Clc1ccc(COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)cc1Cl ZINC000040719548 526950980 /nfs/dbraw/zinc/95/09/80/526950980.db2.gz DYRKHMJMEYNPQC-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO COc1cc2[nH+]c(N3CCN(c4ccc(F)cc4)CC3)cc(C)c2c(OC)c1OC ZINC000004982054 536895315 /nfs/dbraw/zinc/89/53/15/536895315.db2.gz LNYLPLZWBUWRKF-UHFFFAOYSA-N 1 0 411.477 4.035 50 0 HIAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(Br)cc2)cc1 ZINC000000632181 557027207 /nfs/dbraw/zinc/02/72/07/557027207.db2.gz URGVMAVFRWUUAA-NRFANRHFSA-N 1 0 416.339 4.108 50 0 HIAARO CC[N@@H+]1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@@H]1c1ccccc1 ZINC000034667411 557360983 /nfs/dbraw/zinc/36/09/83/557360983.db2.gz LILDPIDCFWXUFF-SANMLTNESA-N 1 0 400.522 4.349 50 0 HIAARO CC(C)(C)C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1 ZINC000034681837 557383543 /nfs/dbraw/zinc/38/35/43/557383543.db2.gz JRJLQYZTFNPCFG-UHFFFAOYSA-N 1 0 400.954 4.432 50 0 HIAARO Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)CCCCC[NH3+])n2)cc1 ZINC000034904981 557473048 /nfs/dbraw/zinc/47/30/48/557473048.db2.gz XUMQHXABUJQJOK-UHFFFAOYSA-N 1 0 406.530 4.135 50 0 HIAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(C)c1 ZINC000004763659 557595966 /nfs/dbraw/zinc/59/59/66/557595966.db2.gz AYEAEPQTAOPNLG-QHCPKHFHSA-N 1 0 416.562 4.247 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc(I)c1O ZINC000004988978 557621872 /nfs/dbraw/zinc/62/18/72/557621872.db2.gz JZAASMHKFMEDIL-ZFWWWQNUSA-N 1 0 401.288 4.160 50 0 HIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000006805448 557722701 /nfs/dbraw/zinc/72/27/01/557722701.db2.gz WGVWNEJGMBORIM-IAGOWNOFSA-N 1 0 401.518 4.014 50 0 HIAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717463 557801843 /nfs/dbraw/zinc/80/18/43/557801843.db2.gz PIPIHZYXDJFJAX-DFBJGRDBSA-N 1 0 409.574 4.486 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022875303 557843655 /nfs/dbraw/zinc/84/36/55/557843655.db2.gz BGJMXTWCMLLLQP-RXVVDRJESA-N 1 0 401.938 4.102 50 0 HIAARO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCCn2ccnc2)c1 ZINC000010314016 557859388 /nfs/dbraw/zinc/85/93/88/557859388.db2.gz RWZFNDVNTLYNQU-UHFFFAOYSA-N 1 0 400.320 4.405 50 0 HIAARO FC(F)(F)c1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000019743200 558263629 /nfs/dbraw/zinc/26/36/29/558263629.db2.gz VSJYIJJTUVPTEG-UHFFFAOYSA-N 1 0 400.448 4.140 50 0 HIAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011664310 558267913 /nfs/dbraw/zinc/26/79/13/558267913.db2.gz JPXOHOBTWMWGDF-KRWDZBQOSA-N 1 0 407.445 4.039 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@@H](CO)C2)cc1F ZINC000011705687 558270869 /nfs/dbraw/zinc/27/08/69/558270869.db2.gz UBMVCJHPPFJHIB-GOSISDBHSA-N 1 0 409.505 4.200 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3c4ccccc4oc32)C1)N1CCOCC1 ZINC000011754251 558273116 /nfs/dbraw/zinc/27/31/16/558273116.db2.gz NQSIFZYFPSAYCH-IBGZPJMESA-N 1 0 406.526 4.437 50 0 HIAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011782273 558274933 /nfs/dbraw/zinc/27/49/33/558274933.db2.gz CGLNVWWRSCOJHW-BLJICVJPSA-N 1 0 423.605 4.236 50 0 HIAARO COc1ccccc1-n1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccc2F)cn1 ZINC000011815392 558279238 /nfs/dbraw/zinc/27/92/38/558279238.db2.gz XDWKMYWDABDHBH-FQEVSTJZSA-N 1 0 417.488 4.373 50 0 HIAARO CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000011818022 558281210 /nfs/dbraw/zinc/28/12/10/558281210.db2.gz OUHMROWDJQRWJY-HARLFGEKSA-N 1 0 412.965 4.193 50 0 HIAARO Cn1cc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000011821228 558284451 /nfs/dbraw/zinc/28/44/51/558284451.db2.gz JJHICAPVZYYSKV-UHFFFAOYSA-N 1 0 417.553 4.458 50 0 HIAARO COc1ccc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000011821933 558285078 /nfs/dbraw/zinc/28/50/78/558285078.db2.gz KGJSWGIDPUVIMY-FQEVSTJZSA-N 1 0 411.546 4.370 50 0 HIAARO Cc1cccnc1CCNC(=O)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011872876 558290923 /nfs/dbraw/zinc/29/09/23/558290923.db2.gz JDMGSLSNDMEQIV-UHFFFAOYSA-N 1 0 407.558 4.148 50 0 HIAARO COc1cc2c(cc1C[N@H+]1CCc3nnc(C)n3CC1)oc(C)c2-c1ccccc1 ZINC000019836950 558293199 /nfs/dbraw/zinc/29/31/99/558293199.db2.gz GKFSCRIWIVFUDD-UHFFFAOYSA-N 1 0 402.498 4.375 50 0 HIAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019852012 558295867 /nfs/dbraw/zinc/29/58/67/558295867.db2.gz VWFKWGKJSFSIBW-HSZRJFAPSA-N 1 0 413.585 4.007 50 0 HIAARO Cc1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000011909672 558296323 /nfs/dbraw/zinc/29/63/23/558296323.db2.gz POWVMSOBTGIKIS-GOSISDBHSA-N 1 0 400.906 4.048 50 0 HIAARO CCN(Cc1cnc(N(C)C)s1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011932902 558297692 /nfs/dbraw/zinc/29/76/92/558297692.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 1 0 404.599 4.125 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)CCc2cccnc2)CC1 ZINC000011937884 558301298 /nfs/dbraw/zinc/30/12/98/558301298.db2.gz WFJLUYJDQWVMSI-UHFFFAOYSA-N 1 0 423.601 4.420 50 0 HIAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000011949142 558302538 /nfs/dbraw/zinc/30/25/38/558302538.db2.gz PPRCIIWOFYPZPE-JXMROGBWSA-N 1 0 416.525 4.494 50 0 HIAARO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)ccc1OC ZINC000011978339 558305773 /nfs/dbraw/zinc/30/57/73/558305773.db2.gz YTCGFGCZKBSRRM-QFIPXVFZSA-N 1 0 422.569 4.055 50 0 HIAARO COc1cccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000011997878 558307413 /nfs/dbraw/zinc/30/74/13/558307413.db2.gz KTUZAOLQHZBKLI-HXUWFJFHSA-N 1 0 420.475 4.427 50 0 HIAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000011998319 558307447 /nfs/dbraw/zinc/30/74/47/558307447.db2.gz ROEDZOQPNOSBKS-GOSISDBHSA-N 1 0 400.510 4.319 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1CO ZINC000012072346 558317805 /nfs/dbraw/zinc/31/78/05/558317805.db2.gz TXOKYCADAWGOHO-GOSISDBHSA-N 1 0 414.521 4.348 50 0 HIAARO Brc1cccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000020082167 558330839 /nfs/dbraw/zinc/33/08/39/558330839.db2.gz AKSXTKYVCFPRDI-UHFFFAOYSA-N 1 0 414.391 4.236 50 0 HIAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020109711 558334716 /nfs/dbraw/zinc/33/47/16/558334716.db2.gz QJGBTVONGGUJRV-NRFANRHFSA-N 1 0 402.966 4.199 50 0 HIAARO Cc1ccc2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)c(-c3cccc(Cl)c3)nc2c1 ZINC000012191162 558347609 /nfs/dbraw/zinc/34/76/09/558347609.db2.gz RVLDHCKATAQWPL-LJQANCHMSA-N 1 0 400.931 4.140 50 0 HIAARO Cc1ccoc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012210517 558353779 /nfs/dbraw/zinc/35/37/79/558353779.db2.gz FYFXPPDSFCSODK-HSZRJFAPSA-N 1 0 410.558 4.430 50 0 HIAARO COc1ccccc1CNC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C ZINC000012244453 558361166 /nfs/dbraw/zinc/36/11/66/558361166.db2.gz UXTHGEQDILNFJD-UHFFFAOYSA-N 1 0 404.510 4.119 50 0 HIAARO c1[nH]nc(C2CCCCC2)c1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020449649 558364850 /nfs/dbraw/zinc/36/48/50/558364850.db2.gz ZFHKXAXHLIVYKM-XMMPIXPASA-N 1 0 407.606 4.244 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000012300782 558370585 /nfs/dbraw/zinc/37/05/85/558370585.db2.gz XCAZXCJQYGRLRN-UHFFFAOYSA-N 1 0 405.477 4.063 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000012303665 558372984 /nfs/dbraw/zinc/37/29/84/558372984.db2.gz ULQPNNZXZGXABL-UHFFFAOYSA-N 1 0 417.553 4.475 50 0 HIAARO Cc1cccn2c(C[NH+]3CCC(C)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012316338 558379598 /nfs/dbraw/zinc/37/95/98/558379598.db2.gz KEHXMRHWJVIVMZ-UHFFFAOYSA-N 1 0 404.558 4.189 50 0 HIAARO O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012317695 558381145 /nfs/dbraw/zinc/38/11/45/558381145.db2.gz RSLWFKNNYAWWIT-HNNXBMFYSA-N 1 0 420.460 4.002 50 0 HIAARO COc1ccc2c(c1)c([C@H]1NC(=[NH2+])Nc3nc4ccccc4n31)cn2Cc1ccccc1 ZINC000012371449 558389593 /nfs/dbraw/zinc/38/95/93/558389593.db2.gz GSFIOFVQXMOAMD-QHCPKHFHSA-N 1 0 422.492 4.144 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000012373094 558390603 /nfs/dbraw/zinc/39/06/03/558390603.db2.gz WYHNPMCJSRSOJM-UHFFFAOYSA-N 1 0 406.570 4.140 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1)C1CCCC1 ZINC000012385980 558394814 /nfs/dbraw/zinc/39/48/14/558394814.db2.gz SHWPLSLSEHXBDA-UHFFFAOYSA-N 1 0 418.545 4.035 50 0 HIAARO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000020688654 558400652 /nfs/dbraw/zinc/40/06/52/558400652.db2.gz GDWYPEYBDHHGGV-UOSJIABYSA-N 1 0 401.576 4.068 50 0 HIAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000012430712 558405160 /nfs/dbraw/zinc/40/51/60/558405160.db2.gz GSANQPSXWOWCPF-UHFFFAOYSA-N 1 0 418.541 4.414 50 0 HIAARO COc1cc(C(=O)N2CCCCCC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012432777 558407044 /nfs/dbraw/zinc/40/70/44/558407044.db2.gz SQROKOFGGMGXDU-UHFFFAOYSA-N 1 0 400.563 4.497 50 0 HIAARO CCn1ccnc1CN(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012446691 558414274 /nfs/dbraw/zinc/41/42/74/558414274.db2.gz QLZITJNDTBHYIJ-DEOSSOPVSA-N 1 0 410.606 4.105 50 0 HIAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC1CCCC1 ZINC000012456928 558417577 /nfs/dbraw/zinc/41/75/77/558417577.db2.gz IUXUIQVFTSIDJX-UHFFFAOYSA-N 1 0 409.555 4.463 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873826 558418295 /nfs/dbraw/zinc/41/82/95/558418295.db2.gz HKXYEMWPZLNGNK-KRWDZBQOSA-N 1 0 408.336 4.206 50 0 HIAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cn1 ZINC000012464470 558419933 /nfs/dbraw/zinc/41/99/33/558419933.db2.gz BMMZFIIAGLHTNK-VWLOTQADSA-N 1 0 405.517 4.408 50 0 HIAARO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000020929669 558423944 /nfs/dbraw/zinc/42/39/44/558423944.db2.gz HFDFVBWLXGABNI-CYBMUJFWSA-N 1 0 407.146 4.269 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000012570360 558428711 /nfs/dbraw/zinc/42/87/11/558428711.db2.gz RUUBNFSRHMOYGM-QGZVFWFLSA-N 1 0 402.560 4.074 50 0 HIAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012581006 558432657 /nfs/dbraw/zinc/43/26/57/558432657.db2.gz ZMBRTCHVTKLOFF-RUZDIDTESA-N 1 0 424.541 4.042 50 0 HIAARO CSc1ncc(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)cn1 ZINC000012594408 558436851 /nfs/dbraw/zinc/43/68/51/558436851.db2.gz HXNAXAWYKSVFCW-UHFFFAOYSA-N 1 0 418.994 4.161 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000012596702 558438016 /nfs/dbraw/zinc/43/80/16/558438016.db2.gz NDXSFRJWHHXSJV-MRXNPFEDSA-N 1 0 412.534 4.054 50 0 HIAARO CCCC(=O)OC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000004354254 558439861 /nfs/dbraw/zinc/43/98/61/558439861.db2.gz VXRZYVOKODTIHC-HSZRJFAPSA-N 1 0 400.563 4.089 50 0 HIAARO C[NH+](C)CCN(C(=O)c1nc2ccccc2s1)c1nc2c(cccc2F)s1 ZINC000004359278 558450437 /nfs/dbraw/zinc/45/04/37/558450437.db2.gz HQVXYQAROGPUIN-UHFFFAOYSA-N 1 0 400.504 4.254 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCCC2)cc1 ZINC000021805412 558450575 /nfs/dbraw/zinc/45/05/75/558450575.db2.gz KMWZJOMLVZXICI-JOCHJYFZSA-N 1 0 405.498 4.307 50 0 HIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000004359538 558456650 /nfs/dbraw/zinc/45/66/50/558456650.db2.gz FLTYBUGMTBCUFL-UHFFFAOYSA-N 1 0 421.522 4.310 50 0 HIAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012756965 558460361 /nfs/dbraw/zinc/46/03/61/558460361.db2.gz LJNUYTMCKPDAIB-FQEVSTJZSA-N 1 0 412.896 4.090 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc2nccnc2c1 ZINC000012759243 558460847 /nfs/dbraw/zinc/46/08/47/558460847.db2.gz JDDAELYMPQRRDR-UHFFFAOYSA-N 1 0 422.960 4.310 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794531 558467640 /nfs/dbraw/zinc/46/76/40/558467640.db2.gz FKAUAKAPAYJVPS-BWKNWUBXSA-N 1 0 408.542 4.328 50 0 HIAARO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012798283 558470462 /nfs/dbraw/zinc/47/04/62/558470462.db2.gz YRAGNHZGUOUARX-UHFFFAOYSA-N 1 0 406.482 4.460 50 0 HIAARO CC(C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c2cnn(C(C)C)c2n1 ZINC000022587666 558500208 /nfs/dbraw/zinc/50/02/08/558500208.db2.gz CRJLDRWSZGROTG-UHFFFAOYSA-N 1 0 420.561 4.140 50 0 HIAARO CN(Cc1ccsc1)C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022771717 558508687 /nfs/dbraw/zinc/50/86/87/558508687.db2.gz UGZVIMHSVWUKKR-UHFFFAOYSA-N 1 0 419.594 4.114 50 0 HIAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022916716 558521624 /nfs/dbraw/zinc/52/16/24/558521624.db2.gz UKNIUPSEQKPODO-UHFFFAOYSA-N 1 0 415.537 4.278 50 0 HIAARO Cc1occc1-c1nnc(SC[C@@H]2C[N@H+](CC(C)C)CCO2)n1-c1ccccc1 ZINC000023882940 558580328 /nfs/dbraw/zinc/58/03/28/558580328.db2.gz FMHDXBMOUKRQHG-IBGZPJMESA-N 1 0 412.559 4.285 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1c(F)cccc1Cl ZINC000013727805 558585257 /nfs/dbraw/zinc/58/52/57/558585257.db2.gz JPKFCQMUDUPIGV-UHFFFAOYSA-N 1 0 420.912 4.169 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)Nc3cccc(C(F)(F)F)c3)c3n2CCC3)cc1 ZINC000013768233 558591223 /nfs/dbraw/zinc/59/12/23/558591223.db2.gz ACZJYOSNQIABSS-UHFFFAOYSA-O 1 0 416.423 4.055 50 0 HIAARO CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000024445276 558597799 /nfs/dbraw/zinc/59/77/99/558597799.db2.gz RXZNWALBRZQEGT-UHFFFAOYSA-N 1 0 422.550 4.096 50 0 HIAARO Cc1ccc(-c2nc(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)c(C)c1 ZINC000024836932 558616204 /nfs/dbraw/zinc/61/62/04/558616204.db2.gz DNXYMLSENASXKH-FQEVSTJZSA-N 1 0 405.567 4.360 50 0 HIAARO COc1ccc([C@H](C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)N2CCOCC2)cc1 ZINC000025262125 558636223 /nfs/dbraw/zinc/63/62/23/558636223.db2.gz IAQCSLCBAHAWLJ-NRFANRHFSA-N 1 0 420.500 4.077 50 0 HIAARO COCc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000014202135 558637387 /nfs/dbraw/zinc/63/73/87/558637387.db2.gz UGKGOJLMMSICGB-HXUWFJFHSA-N 1 0 408.498 4.155 50 0 HIAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000025329358 558638486 /nfs/dbraw/zinc/63/84/86/558638486.db2.gz VXHJUMZOMLNTCQ-RUZDIDTESA-N 1 0 420.528 4.115 50 0 HIAARO CCc1nnsc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026406811 558660387 /nfs/dbraw/zinc/66/03/87/558660387.db2.gz DGYNSXDXLBOTPH-UHFFFAOYSA-N 1 0 406.555 4.293 50 0 HIAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Nc1nc3ccccc3s1)c1ccccc1O2 ZINC000027345430 558672316 /nfs/dbraw/zinc/67/23/16/558672316.db2.gz YDYZZWWDJWFRTP-QGZVFWFLSA-N 1 0 408.527 4.406 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCc1ccccc1Cl ZINC000014878801 558675497 /nfs/dbraw/zinc/67/54/97/558675497.db2.gz ZLFVKTHTCJNMLB-LJQANCHMSA-N 1 0 404.913 4.071 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000027592316 558676914 /nfs/dbraw/zinc/67/69/14/558676914.db2.gz IXLOSEAOAOSNKG-OAQYLSRUSA-N 1 0 409.509 4.061 50 0 HIAARO CCc1ccc(O[C@H](C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000027747470 558681469 /nfs/dbraw/zinc/68/14/69/558681469.db2.gz NMFJSRKONTYLHB-NTKDMRAZSA-N 1 0 410.558 4.368 50 0 HIAARO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)ccn1 ZINC000014959744 558683533 /nfs/dbraw/zinc/68/35/33/558683533.db2.gz VKBDDVIWDUNUGM-VWLOTQADSA-N 1 0 406.574 4.375 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)Cc3ccc(C)cc3)CC2)c1 ZINC000014967097 558686153 /nfs/dbraw/zinc/68/61/53/558686153.db2.gz RSPCYEGZUZWGKA-IBGZPJMESA-N 1 0 422.569 4.370 50 0 HIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000027989312 558687854 /nfs/dbraw/zinc/68/78/54/558687854.db2.gz NJFLDTXRRUMFSG-FQEVSTJZSA-N 1 0 417.347 4.090 50 0 HIAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)c(C)o2)cc1 ZINC000014980737 558691103 /nfs/dbraw/zinc/69/11/03/558691103.db2.gz WSQQSOQXVGPWHW-FQEVSTJZSA-N 1 0 408.502 4.078 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1ccccc1OC(F)(F)F ZINC000014991253 558694596 /nfs/dbraw/zinc/69/45/96/558694596.db2.gz QVEVWASEJSGTNQ-SFHVURJKSA-N 1 0 422.447 4.135 50 0 HIAARO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+](C)C)oc2c1 ZINC000028291266 558697558 /nfs/dbraw/zinc/69/75/58/558697558.db2.gz YGWRZVAMCUEQMF-HXUWFJFHSA-N 1 0 406.526 4.432 50 0 HIAARO Cc1c(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015062220 558705025 /nfs/dbraw/zinc/70/50/25/558705025.db2.gz JOHMLWSSQFTPDX-QFIPXVFZSA-N 1 0 404.558 4.178 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCn3cccn3)c(-c3ccccc3Cl)n2)cc1 ZINC000015063568 558706185 /nfs/dbraw/zinc/70/61/85/558706185.db2.gz DCJAQZCZOLEDQG-UHFFFAOYSA-N 1 0 407.905 4.188 50 0 HIAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000015064684 558707654 /nfs/dbraw/zinc/70/76/54/558707654.db2.gz NTKBNXOTZUMHDI-UHFFFAOYSA-N 1 0 408.477 4.120 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCCc1ccccc1 ZINC000015070269 558712279 /nfs/dbraw/zinc/71/22/79/558712279.db2.gz HUDISAJDDNCJBL-LJQANCHMSA-N 1 0 414.933 4.172 50 0 HIAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000015319688 558732402 /nfs/dbraw/zinc/73/24/02/558732402.db2.gz RYKZIJDNXVDKHS-PBHICJAKSA-N 1 0 422.451 4.047 50 0 HIAARO Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C[NH+]4CCCCC4)s3)c2)n1 ZINC000072301564 558751705 /nfs/dbraw/zinc/75/17/05/558751705.db2.gz ZWIYWSHNTSQIGS-UHFFFAOYSA-N 1 0 408.527 4.045 50 0 HIAARO Cc1cccc(OCC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000072304628 558757276 /nfs/dbraw/zinc/75/72/76/558757276.db2.gz YFNNSMIYHZKLCP-FQEVSTJZSA-N 1 0 420.475 4.287 50 0 HIAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000033087229 558760685 /nfs/dbraw/zinc/76/06/85/558760685.db2.gz TYZVUHCQOHOJPD-NRFANRHFSA-N 1 0 412.530 4.075 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+]2CCCCC2)cc1 ZINC000015996305 558765738 /nfs/dbraw/zinc/76/57/38/558765738.db2.gz DTHHALVHXANPEF-FQEVSTJZSA-N 1 0 417.347 4.415 50 0 HIAARO Cc1noc(C(F)(F)F)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000072306896 558766117 /nfs/dbraw/zinc/76/61/17/558766117.db2.gz ZGETYGLROJSBTR-CYBMUJFWSA-N 1 0 401.454 4.266 50 0 HIAARO CCOc1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)ccc1O ZINC000023283079 558781926 /nfs/dbraw/zinc/78/19/26/558781926.db2.gz FWRIVYBLRKRQDA-UHFFFAOYSA-N 1 0 406.320 4.037 50 0 HIAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCC[NH+](C)C)C3=O ZINC000016750946 558804654 /nfs/dbraw/zinc/80/46/54/558804654.db2.gz SXEXBWAUAJTLCO-HXUWFJFHSA-N 1 0 410.901 4.252 50 0 HIAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)c2c1 ZINC000018088241 558830997 /nfs/dbraw/zinc/83/09/97/558830997.db2.gz TZBCLDYCSCWGIC-LJQANCHMSA-N 1 0 416.308 4.247 50 0 HIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cc(F)ccc3-n3cccn3)c2C)cc1 ZINC000019112648 558841743 /nfs/dbraw/zinc/84/17/43/558841743.db2.gz HBRZHQVHNUVGLN-MRXNPFEDSA-N 1 0 405.477 4.365 50 0 HIAARO c1[nH]nc(-c2cccc3ccccc32)c1C[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000019146128 558846630 /nfs/dbraw/zinc/84/66/30/558846630.db2.gz AGHCFJNVCHRBQI-JOCHJYFZSA-N 1 0 404.558 4.307 50 0 HIAARO O[C@@](Cc1ccccc1)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019229390 558853479 /nfs/dbraw/zinc/85/34/79/558853479.db2.gz WVRPUXZKFNELFC-FTJBHMTQSA-N 1 0 405.513 4.372 50 0 HIAARO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000033078160 558867607 /nfs/dbraw/zinc/86/76/07/558867607.db2.gz QZIAAZXMKVCAPO-UHFFFAOYSA-N 1 0 423.904 4.271 50 0 HIAARO C[NH+]1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019338440 558870890 /nfs/dbraw/zinc/87/08/90/558870890.db2.gz DOUQJBPSTIKRPH-UHFFFAOYSA-N 1 0 421.488 4.472 50 0 in-man HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc1OC ZINC000055152896 558874235 /nfs/dbraw/zinc/87/42/35/558874235.db2.gz SXIWPXVEWOYLHT-GOSISDBHSA-N 1 0 405.498 4.050 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)CCn2ccnc2)cc1F ZINC000055182613 558875036 /nfs/dbraw/zinc/87/50/36/558875036.db2.gz GEWLMYPXFCPOGO-UHFFFAOYSA-N 1 0 419.504 4.324 50 0 HIAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019361465 558876410 /nfs/dbraw/zinc/87/64/10/558876410.db2.gz DDDVCKFSTSDIQB-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252572 558877536 /nfs/dbraw/zinc/87/75/36/558877536.db2.gz REJRHQZAWJHBQQ-HXUWFJFHSA-N 1 0 400.538 4.229 50 0 HIAARO COc1ccccc1Nc1cc(C(=O)NCCC[NH+]2CCCC2)c2ccccc2n1 ZINC000004669802 558880619 /nfs/dbraw/zinc/88/06/19/558880619.db2.gz LRQMRLCXFNVLEM-UHFFFAOYSA-N 1 0 404.514 4.203 50 0 HIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3OC)n2CCOC)cc1 ZINC000004679314 558890434 /nfs/dbraw/zinc/89/04/34/558890434.db2.gz HFTPWLJICSBLNK-UHFFFAOYSA-N 1 0 411.502 4.225 50 0 HIAARO CCOC(=O)C1C(C[NH2+]C(C)(C)CC(C)(C)C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004689224 558899229 /nfs/dbraw/zinc/89/92/29/558899229.db2.gz VPEHNWSWTAQEKI-FQEVSTJZSA-N 1 0 415.578 4.279 50 0 HIAARO CCOC(=O)c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000058289413 558916654 /nfs/dbraw/zinc/91/66/54/558916654.db2.gz NDXMMYQLFSDPKW-UHFFFAOYSA-N 1 0 421.566 4.227 50 0 HIAARO O=C(/C=C/c1cc(Br)ccc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058369052 558922439 /nfs/dbraw/zinc/92/24/39/558922439.db2.gz NMOJSMWRZCUMKN-VMPITWQZSA-N 1 0 409.343 4.372 50 0 HIAARO Cc1nc(C)c(C(=O)NCC2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000019608124 558946614 /nfs/dbraw/zinc/94/66/14/558946614.db2.gz QBKZBORLBBTTQK-UHFFFAOYSA-N 1 0 405.567 4.159 50 0 HIAARO C[NH+](C)[C@@H]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072419123 558978069 /nfs/dbraw/zinc/97/80/69/558978069.db2.gz YKLKPPHEFAXEGA-LJQANCHMSA-N 1 0 409.917 4.420 50 0 HIAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033069016 558982168 /nfs/dbraw/zinc/98/21/68/558982168.db2.gz PHOCEPUSYIEKOX-UHFFFAOYSA-N 1 0 411.571 4.446 50 0 HIAARO C[C@H]1CN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC[N@@H+]1C ZINC000072453566 558982854 /nfs/dbraw/zinc/98/28/54/558982854.db2.gz ISKUQQUIRCNTKA-HNNXBMFYSA-N 1 0 409.917 4.420 50 0 HIAARO Cc1[nH+]c(CN2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)c2ccccn12 ZINC000072468278 558983301 /nfs/dbraw/zinc/98/33/01/558983301.db2.gz MICLWQKGXVSNAZ-IBGZPJMESA-N 1 0 418.541 4.233 50 0 HIAARO Cn1ncc(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1C1CC1 ZINC000072479641 558984066 /nfs/dbraw/zinc/98/40/66/558984066.db2.gz ZROIHKLYSGUYEE-UHFFFAOYSA-N 1 0 419.495 4.346 50 0 HIAARO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4C)CC3)n2)cc1 ZINC000067620977 558989562 /nfs/dbraw/zinc/98/95/62/558989562.db2.gz AJVRNORSILAPJF-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO CC(C)[C@@](C)([NH3+])C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067712679 558991728 /nfs/dbraw/zinc/99/17/28/558991728.db2.gz SGQFRVMIPCTHBZ-RUZDIDTESA-N 1 0 403.526 4.113 50 0 HIAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC(C)(C)C1 ZINC000023073065 558997842 /nfs/dbraw/zinc/99/78/42/558997842.db2.gz XXQPFLGJWKRVOP-BVYCBKJFSA-N 1 0 409.014 4.050 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2cscn2)c(F)c1 ZINC000082039425 559036024 /nfs/dbraw/zinc/03/60/24/559036024.db2.gz NBITZEVFJUPOIX-UHFFFAOYSA-N 1 0 408.502 4.476 50 0 HIAARO CC1CC[NH+](CCNC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)CC1 ZINC000033278979 559042383 /nfs/dbraw/zinc/04/23/83/559042383.db2.gz SYDWRXJDFKNRQE-UHFFFAOYSA-N 1 0 408.477 4.004 50 0 HIAARO COc1cc(OC)c(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1Cl ZINC000033312160 559054642 /nfs/dbraw/zinc/05/46/42/559054642.db2.gz IQDLJMUEFDUSDS-OAHLLOKOSA-N 1 0 409.958 4.333 50 0 HIAARO Cc1ccc([C@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000033313875 559055220 /nfs/dbraw/zinc/05/52/20/559055220.db2.gz AIFZLIWCWBIDQH-HSZRJFAPSA-N 1 0 419.569 4.073 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000011614683 559114590 /nfs/dbraw/zinc/11/45/90/559114590.db2.gz SSJPLKLEIAIENB-IBGZPJMESA-N 1 0 414.864 4.082 50 0 HIAARO Cc1cccc2cc(CN3CC[N@@H+](C)[C@@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000107016430 559164309 /nfs/dbraw/zinc/16/43/09/559164309.db2.gz IZPKBHYCBIMNRY-QFIPXVFZSA-N 1 0 409.961 4.362 50 0 HIAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023737725 559179527 /nfs/dbraw/zinc/17/95/27/559179527.db2.gz OTHAQESBWNKBOP-HXUWFJFHSA-N 1 0 408.933 4.401 50 0 HIAARO CN(C)c1ncc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)s1 ZINC000011753802 559257544 /nfs/dbraw/zinc/25/75/44/559257544.db2.gz KLWKQEYQRUJOAT-UHFFFAOYSA-N 1 0 406.983 4.493 50 0 HIAARO COc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(s2)c(Cl)ccc3OC)cc1 ZINC000005256899 560550748 /nfs/dbraw/zinc/55/07/48/560550748.db2.gz YPLJLQWIZTXAHO-UHFFFAOYSA-N 1 0 419.934 4.175 50 0 HIAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C(C)C)cc2)N(CC[NH+](C)C)C1=O ZINC000005352344 560569224 /nfs/dbraw/zinc/56/92/24/560569224.db2.gz KFIRAUQPMJAQCX-JOCHJYFZSA-N 1 0 420.509 4.032 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000105008251 560859807 /nfs/dbraw/zinc/85/98/07/560859807.db2.gz KGMIMGQKJRPBHE-FDDCHVKYSA-N 1 0 421.541 4.256 50 0 HIAARO CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106160291 560884851 /nfs/dbraw/zinc/88/48/51/560884851.db2.gz VCWORKIBBHLLMB-XLIONFOSSA-N 1 0 417.500 4.384 50 0 HIAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000107497294 560896512 /nfs/dbraw/zinc/89/65/12/560896512.db2.gz APDSVPCODGPRAN-FSPWUOQZSA-N 1 0 422.451 4.292 50 0 HIAARO CCn1c(C)cc(O)c([C@@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697399 568415494 /nfs/dbraw/zinc/41/54/94/568415494.db2.gz LOYKXRPFYRASQW-RUZDIDTESA-N 1 0 417.553 4.321 50 0 HIAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032248 568424647 /nfs/dbraw/zinc/42/46/47/568424647.db2.gz DSPBYQKEQJWNKG-UHFFFAOYSA-N 1 0 410.930 4.494 50 0 HIAARO Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000046044880 568425095 /nfs/dbraw/zinc/42/50/95/568425095.db2.gz ZQWLQHYDZJRHQZ-JOCHJYFZSA-N 1 0 405.542 4.082 50 0 HIAARO CCc1cccc2c(C3CC[NH+](Cc4cc(=O)n5c(C)csc5n4)CC3)c[nH]c21 ZINC000048288962 568434788 /nfs/dbraw/zinc/43/47/88/568434788.db2.gz IODCMXABOZCZAW-UHFFFAOYSA-N 1 0 406.555 4.488 50 0 HIAARO COc1cc(/C=C/C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc(OC)c1OC ZINC000006588759 568456104 /nfs/dbraw/zinc/45/61/04/568456104.db2.gz FJUXLLUMCMFHCZ-ZHACJKMWSA-N 1 0 416.562 4.031 50 0 HIAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 ZINC000006760265 568458747 /nfs/dbraw/zinc/45/87/47/568458747.db2.gz WSEFWIMOTDIKDI-UHFFFAOYSA-N 1 0 403.317 4.231 50 0 HIAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095408035 568606330 /nfs/dbraw/zinc/60/63/30/568606330.db2.gz XVCGPRDEXSZEKB-JXFKEZNVSA-N 1 0 406.448 4.111 50 0 HIAARO Cc1ccccc1C(=O)N1C(=S)C(c2ccccc2)=NC12CC[NH+](C(C)C)CC2 ZINC000020436146 568607200 /nfs/dbraw/zinc/60/72/00/568607200.db2.gz JXFFRXOTBSXWOC-UHFFFAOYSA-N 1 0 405.567 4.468 50 0 HIAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000095432507 568609386 /nfs/dbraw/zinc/60/93/86/568609386.db2.gz YEPVQVVGAUDJFL-WWPVKYPJSA-N 1 0 412.574 4.267 50 0 HIAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000095452797 568615283 /nfs/dbraw/zinc/61/52/83/568615283.db2.gz ITDHDBLCBYQMEP-OXQOHEQNSA-N 1 0 414.937 4.262 50 0 HIAARO Cc1ccc(-c2noc([C@@H](C)N(C)C3CC[NH+](CCc4ccncc4)CC3)n2)cc1F ZINC000095459785 568619853 /nfs/dbraw/zinc/61/98/53/568619853.db2.gz GZPXTFRVZBIGNH-GOSISDBHSA-N 1 0 423.536 4.279 50 0 HIAARO COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCC(C)CC2)c1 ZINC000020604710 568636187 /nfs/dbraw/zinc/63/61/87/568636187.db2.gz XTABJDZAJQWELJ-XMMPIXPASA-N 1 0 422.525 4.334 50 0 aggregator HIAARO COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCC(C)CC2)c1 ZINC000020604712 568636230 /nfs/dbraw/zinc/63/62/30/568636230.db2.gz XTABJDZAJQWELJ-DEOSSOPVSA-N 1 0 422.525 4.334 50 0 aggregator HIAARO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccc(F)cc2)Cc2cncnc2)CC1 ZINC000225672854 568662773 /nfs/dbraw/zinc/66/27/73/568662773.db2.gz ZNLQOEHMXNDWTD-NRFANRHFSA-N 1 0 414.525 4.408 50 0 HIAARO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945470 568663587 /nfs/dbraw/zinc/66/35/87/568663587.db2.gz OVCPNPRBEQLVDK-RXVVDRJESA-N 1 0 402.583 4.028 50 0 HIAARO CC[NH+](CC)CCN(C(=O)CCc1c(C)nn(C)c1C)c1cccc(C(F)(F)F)c1 ZINC000095986345 568676544 /nfs/dbraw/zinc/67/65/44/568676544.db2.gz YFFYFEYKBIZONT-UHFFFAOYSA-N 1 0 424.511 4.363 50 0 HIAARO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2C(=O)OC(C)(C)C)CCCC1 ZINC000096003533 568681877 /nfs/dbraw/zinc/68/18/77/568681877.db2.gz PFFSEWZJZWHYGJ-NJYVYQBISA-N 1 0 424.626 4.368 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc(I)c1O ZINC000229912485 568715953 /nfs/dbraw/zinc/71/59/53/568715953.db2.gz JZAASMHKFMEDIL-UKRRQHHQSA-N 1 0 401.288 4.160 50 0 HIAARO O=C(CCc1conc1-c1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096386678 568743432 /nfs/dbraw/zinc/74/34/32/568743432.db2.gz WZVNXQCGLVOYHU-UHFFFAOYSA-N 1 0 407.489 4.194 50 0 HIAARO CCc1ccccc1NC(=O)C1=C(C)C(=O)OC12CC[NH+](Cc1ccccc1)CC2 ZINC000021868356 568756078 /nfs/dbraw/zinc/75/60/78/568756078.db2.gz NQOLWNFUDLHVAR-UHFFFAOYSA-N 1 0 404.510 4.096 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056806280 568816840 /nfs/dbraw/zinc/81/68/40/568816840.db2.gz VCNANYSAMDDBJK-FQEVSTJZSA-N 1 0 417.912 4.267 50 0 HIAARO Cc1ccccc1Cn1nc(C[NH2+]CCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492432 568820458 /nfs/dbraw/zinc/82/04/58/568820458.db2.gz ANTDQXCNMFMKKT-UHFFFAOYSA-N 1 0 413.525 4.256 50 0 HIAARO CCCn1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261492168 568820483 /nfs/dbraw/zinc/82/04/83/568820483.db2.gz SFSFWJPCQXXTCI-UHFFFAOYSA-N 1 0 406.559 4.299 50 0 HIAARO C[NH+]1CCN(c2nc(-c3c(Cl)cccc3Cl)nnc2-c2ccccc2)CC1 ZINC000005913826 568829459 /nfs/dbraw/zinc/82/94/59/568829459.db2.gz AKMJRAAFPICPJT-UHFFFAOYSA-N 1 0 400.313 4.264 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc3ccccc3s2)CC1 ZINC000012523322 568842488 /nfs/dbraw/zinc/84/24/88/568842488.db2.gz PEDCNPBDAOAYIV-UHFFFAOYSA-N 1 0 414.962 4.273 50 0 HIAARO Cc1cccc([C@@H](CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)NC(N)=O)c1 ZINC000029880228 568844175 /nfs/dbraw/zinc/84/41/75/568844175.db2.gz JMJXZZKMHPCLQA-HSZRJFAPSA-N 1 0 422.573 4.498 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cc(Sc2nnc(C)s2)nc2ccccc21 ZINC000003037075 568845730 /nfs/dbraw/zinc/84/57/30/568845730.db2.gz BZLNKDBTCLCDQM-UHFFFAOYSA-N 1 0 415.588 4.008 50 0 HIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000029928916 568852420 /nfs/dbraw/zinc/85/24/20/568852420.db2.gz BELASHZGUWAEJZ-UHFFFAOYSA-N 1 0 421.928 4.090 50 0 HIAARO CCOC(=O)c1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccc3)n2)cc1 ZINC000003215979 568862630 /nfs/dbraw/zinc/86/26/30/568862630.db2.gz IJRDBVLPJDWUFU-OAHLLOKOSA-N 1 0 409.511 4.276 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1(c2ccccc2)CCOCC1 ZINC000299775188 568874576 /nfs/dbraw/zinc/87/45/76/568874576.db2.gz IPDJWZQPZWUYOI-QHCPKHFHSA-N 1 0 410.533 4.045 50 0 HIAARO C[C@@H](NC(=O)c1ccc(N2CCC([N@H+](C)Cc3cc[nH]n3)CC2)cc1)c1ccccc1 ZINC000299782911 568875268 /nfs/dbraw/zinc/87/52/68/568875268.db2.gz NMUBEIRPCOOSKQ-LJQANCHMSA-N 1 0 417.557 4.002 50 0 HIAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000058158913 568893781 /nfs/dbraw/zinc/89/37/81/568893781.db2.gz XLOLBVXXQVEAEZ-UHFFFAOYSA-N 1 0 413.612 4.437 50 0 HIAARO Cn1c2c(c3c1CC[N@H+](C)[C@H]3c1ccc(F)cc1)[C@H](c1ccc(F)cc1)N(C)CC2 ZINC000001244293 568908448 /nfs/dbraw/zinc/90/84/48/568908448.db2.gz AWJNVDVMXBWHKB-DQEYMECFSA-N 1 0 407.508 4.458 50 0 HIAARO Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000031201651 568919087 /nfs/dbraw/zinc/91/90/87/568919087.db2.gz XPFXHGCEBCCARX-UHFFFAOYSA-N 1 0 410.606 4.247 50 0 HIAARO O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012737408 568925214 /nfs/dbraw/zinc/92/52/14/568925214.db2.gz DEWGEAJQZHERMI-SFHVURJKSA-N 1 0 409.917 4.318 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc3oc4ccccc4c3c2)[NH+](C)C)cc1 ZINC000012736360 568925484 /nfs/dbraw/zinc/92/54/84/568925484.db2.gz BTIHZNHRFAAPMH-QFIPXVFZSA-N 1 0 418.493 4.393 50 0 HIAARO COc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000084686436 568955718 /nfs/dbraw/zinc/95/57/18/568955718.db2.gz CBVIZNFBKFTCPR-FUHWJXTLSA-N 1 0 418.484 4.327 50 0 HIAARO CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004275283 568962356 /nfs/dbraw/zinc/96/23/56/568962356.db2.gz IGWHJDOUOMICIV-UHFFFAOYSA-N 1 0 416.543 4.345 50 0 HIAARO Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007988888 568966088 /nfs/dbraw/zinc/96/60/88/568966088.db2.gz JNOMEPBJGGLQFX-UHFFFAOYSA-N 1 0 416.569 4.203 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000007989539 568966441 /nfs/dbraw/zinc/96/64/41/568966441.db2.gz CJQIAOUQRWFEBX-OAQYLSRUSA-N 1 0 422.960 4.206 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000007989527 568966478 /nfs/dbraw/zinc/96/64/78/568966478.db2.gz KBEVXMSISOXWSI-NRFANRHFSA-N 1 0 424.976 4.104 50 0 HIAARO Cc1cc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc2ccccc12 ZINC000007990016 568966701 /nfs/dbraw/zinc/96/67/01/568966701.db2.gz OTJSSCNXSUNNJP-UHFFFAOYSA-N 1 0 405.567 4.416 50 0 HIAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000015731265 568981832 /nfs/dbraw/zinc/98/18/32/568981832.db2.gz YGRGNKSRTTZUTA-HXUWFJFHSA-N 1 0 419.573 4.274 50 0 HIAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000008272176 568986409 /nfs/dbraw/zinc/98/64/09/568986409.db2.gz OFEGJSMBCMYGPL-FQEVSTJZSA-N 1 0 411.571 4.078 50 0 HIAARO CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000006051425 568988064 /nfs/dbraw/zinc/98/80/64/568988064.db2.gz AQEULXLJDLNFGC-WDEREUQCSA-N 1 0 407.725 4.249 50 0 HIAARO Cc1nn(-c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)c(C)c1Cl ZINC000008344146 568993945 /nfs/dbraw/zinc/99/39/45/568993945.db2.gz LQIFJDGIURYKKS-LJQANCHMSA-N 1 0 412.921 4.302 50 0 HIAARO COc1ccc(-c2nc(CC(=O)NCc3ccccc3C[NH+]3CCCC3)cs2)cc1 ZINC000008389117 568996634 /nfs/dbraw/zinc/99/66/34/568996634.db2.gz AWWNKZPMAJNFNO-UHFFFAOYSA-N 1 0 421.566 4.273 50 0 HIAARO Cc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000015772750 568998622 /nfs/dbraw/zinc/99/86/22/568998622.db2.gz CXKWEHJMDUYQLM-UHFFFAOYSA-N 1 0 408.933 4.231 50 0 HIAARO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012821599 569005789 /nfs/dbraw/zinc/00/57/89/569005789.db2.gz KBKCUGBSLGEOAL-JOCHJYFZSA-N 1 0 404.510 4.041 50 0 HIAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1F)CC2 ZINC000035262624 569015560 /nfs/dbraw/zinc/01/55/60/569015560.db2.gz APONHMVMZVHQOM-VWLOTQADSA-N 1 0 420.484 4.429 50 0 HIAARO CCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012916915 569022376 /nfs/dbraw/zinc/02/23/76/569022376.db2.gz GVDXTJJCTPGKMM-SPLOXXLWSA-N 1 0 420.538 4.186 50 0 HIAARO CC(C)[NH+](CCNC(=O)c1cc(Br)c(Br)s1)C(C)C ZINC000012927343 569024011 /nfs/dbraw/zinc/02/40/11/569024011.db2.gz WUEYHPZFWMYGCD-UHFFFAOYSA-N 1 0 412.191 4.122 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C/C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016064445 569028461 /nfs/dbraw/zinc/02/84/61/569028461.db2.gz ICLXQFATVCSRKA-MDZDMXLPSA-N 1 0 414.981 4.204 50 0 HIAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012943769 569028869 /nfs/dbraw/zinc/02/88/69/569028869.db2.gz MUVJOFMXOUBFPX-IBGZPJMESA-N 1 0 407.558 4.281 50 0 HIAARO CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCCCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000102455278 569039958 /nfs/dbraw/zinc/03/99/58/569039958.db2.gz FTKVHWNPDYUODF-DHLKQENFSA-N 1 0 421.541 4.427 50 0 HIAARO O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036397304 569048054 /nfs/dbraw/zinc/04/80/54/569048054.db2.gz LDALBWYMLKPNAA-RBNVVWFDSA-N 1 0 413.521 4.065 50 0 HIAARO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000240471695 569054607 /nfs/dbraw/zinc/05/46/07/569054607.db2.gz GDWYPEYBDHHGGV-PTLNDYHLSA-N 1 0 401.576 4.068 50 0 HIAARO Cc1c(C)n(C[C@H](O)C[N@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]2O)c2ccccc12 ZINC000245229063 569055248 /nfs/dbraw/zinc/05/52/48/569055248.db2.gz MEUDZLHQBCXDFC-RZFJZAQRSA-N 1 0 406.570 4.425 50 0 HIAARO O=C(N[C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000247724591 569057484 /nfs/dbraw/zinc/05/74/84/569057484.db2.gz CNYCOAVDEYEJSS-UAPYVXQJSA-N 1 0 420.981 4.159 50 0 HIAARO Cc1ccc(OCC[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000054290438 569070028 /nfs/dbraw/zinc/07/00/28/569070028.db2.gz AASICLSIPWISOV-UHFFFAOYSA-N 1 0 408.571 4.080 50 0 HIAARO O=C(NC1CC1)c1ccnc(N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)c1 ZINC000426427878 569072935 /nfs/dbraw/zinc/07/29/35/569072935.db2.gz CVDPJHJOODNVRE-RUZDIDTESA-N 1 0 410.606 4.237 50 0 HIAARO C[NH+](C)CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669381 569078667 /nfs/dbraw/zinc/07/86/67/569078667.db2.gz CVJFKNYOKWKXDW-UHFFFAOYSA-N 1 0 410.493 4.356 50 0 HIAARO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 ZINC000064669620 569078823 /nfs/dbraw/zinc/07/88/23/569078823.db2.gz OGPZRPNUGHVVDV-UHFFFAOYSA-N 1 0 405.542 4.105 50 0 HIAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000036031374 569080960 /nfs/dbraw/zinc/08/09/60/569080960.db2.gz KMJNBVKULZSWQF-JTHBVZDNSA-N 1 0 403.950 4.378 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)cc1 ZINC000036101902 569091729 /nfs/dbraw/zinc/09/17/29/569091729.db2.gz DLJARRHVTMIKML-DEOSSOPVSA-N 1 0 419.521 4.304 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102170 569091787 /nfs/dbraw/zinc/09/17/87/569091787.db2.gz DANDMDXSEGBKJN-QFIPXVFZSA-N 1 0 407.510 4.146 50 0 HIAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2C)c1OC ZINC000036103647 569092387 /nfs/dbraw/zinc/09/23/87/569092387.db2.gz USQDPSPZMNQZLX-HSZRJFAPSA-N 1 0 421.537 4.454 50 0 HIAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145887 569098492 /nfs/dbraw/zinc/09/84/92/569098492.db2.gz JANGWTKBWNVUSY-VXKWHMMOSA-N 1 0 416.949 4.121 50 0 HIAARO C[C@@H](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000064847187 569108295 /nfs/dbraw/zinc/10/82/95/569108295.db2.gz BHKCMCPCQSTDGE-FQEVSTJZSA-N 1 0 414.594 4.091 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[NH+](C)C)cc1OC ZINC000006787316 569122122 /nfs/dbraw/zinc/12/21/22/569122122.db2.gz OIYVBYDQDARUPC-QFIPXVFZSA-N 1 0 404.510 4.404 50 0 HIAARO COc1cc2c(cc1NC(=O)[C@@H](C)[NH2+]Cc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000006788338 569122551 /nfs/dbraw/zinc/12/25/51/569122551.db2.gz DNYLVNVHAQGVOJ-CQSZACIVSA-N 1 0 418.449 4.440 50 0 HIAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305448 569129566 /nfs/dbraw/zinc/12/95/66/569129566.db2.gz FYSCYPSUZWJGJB-GOSISDBHSA-N 1 0 409.530 4.479 50 0 HIAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](C)O ZINC000036306325 569129789 /nfs/dbraw/zinc/12/97/89/569129789.db2.gz GVLYMVJVJGYFNA-IBGZPJMESA-N 1 0 409.530 4.017 50 0 HIAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308232 569130422 /nfs/dbraw/zinc/13/04/22/569130422.db2.gz ZDMBRWPSGVQTEX-OAQYLSRUSA-N 1 0 421.541 4.241 50 0 HIAARO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006809612 569133579 /nfs/dbraw/zinc/13/35/79/569133579.db2.gz SUXNLXCDPSSYAD-SFTDATJTSA-N 1 0 406.979 4.452 50 0 HIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1C ZINC000036345785 569143402 /nfs/dbraw/zinc/14/34/02/569143402.db2.gz KNUDPJUGWODUGB-QHCPKHFHSA-N 1 0 423.557 4.340 50 0 HIAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC[C@@H](C)[NH+]2CCCCCC2)n1 ZINC000065010158 569153442 /nfs/dbraw/zinc/15/34/42/569153442.db2.gz RVPBJWHSYIVNMG-MRXNPFEDSA-N 1 0 410.518 4.484 50 0 HIAARO Cc1ccc(CNC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000006877425 569164276 /nfs/dbraw/zinc/16/42/76/569164276.db2.gz XHKLLDVLRDWMHV-QGZVFWFLSA-N 1 0 408.571 4.396 50 0 HIAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000006877681 569164630 /nfs/dbraw/zinc/16/46/30/569164630.db2.gz ZETSJTFABQARET-UHFFFAOYSA-N 1 0 413.493 4.115 50 0 HIAARO CC(C)c1noc(-c2cccnc2N2CCC[N@H+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000065257918 569209791 /nfs/dbraw/zinc/20/97/91/569209791.db2.gz QYHKZMKPRACQIX-UHFFFAOYSA-N 1 0 413.472 4.246 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000007263897 569230785 /nfs/dbraw/zinc/23/07/85/569230785.db2.gz LSQQORZIBMVTDA-UHFFFAOYSA-N 1 0 403.526 4.093 50 0 HIAARO c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000065564549 569234200 /nfs/dbraw/zinc/23/42/00/569234200.db2.gz VZGKSALIXSFIEE-NRFANRHFSA-N 1 0 419.529 4.119 50 0 HIAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccc(-c2nccs2)cc1 ZINC000170593781 569241292 /nfs/dbraw/zinc/24/12/92/569241292.db2.gz IJJYTMSWFRMWLT-NRFANRHFSA-N 1 0 422.554 4.089 50 0 HIAARO FC(F)Oc1ccc(C2=C[C@@H](c3ccc(OC(F)F)cc3)N3NC=NC3=[NH+]2)cc1 ZINC000138124410 569359424 /nfs/dbraw/zinc/35/94/24/569359424.db2.gz TZDHQMJYENPLEA-INIZCTEOSA-N 1 0 406.339 4.190 50 0 HIAARO CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002405599 569396045 /nfs/dbraw/zinc/39/60/45/569396045.db2.gz ZMMCDIKLSSWXRG-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002406331 569396081 /nfs/dbraw/zinc/39/60/81/569396081.db2.gz NKFMFZZSSQJCJO-JOCHJYFZSA-N 1 0 404.510 4.413 50 0 HIAARO O=C(Nc1nnc(C2CC2)s1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078954337 569421999 /nfs/dbraw/zinc/42/19/99/569421999.db2.gz VLBSETJJLBSKQX-UHFFFAOYSA-N 1 0 411.575 4.468 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000019881296 569433065 /nfs/dbraw/zinc/43/30/65/569433065.db2.gz VTZVLLJQXUYARX-FABDANFUSA-N 1 0 423.944 4.250 50 0 HIAARO Cc1ccccc1C1(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000089689213 571047786 /nfs/dbraw/zinc/04/77/86/571047786.db2.gz SCYBOAMVUQGKCM-UPVQGACJSA-N 1 0 420.597 4.460 50 0 HIAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000008710650 571105042 /nfs/dbraw/zinc/10/50/42/571105042.db2.gz KBSHNCXPJKUHNX-UHFFFAOYSA-N 1 0 423.948 4.147 50 0 HIAARO CCOC(=O)c1oc2ccc(Br)cc2c1NC(=O)CC[NH+]1CCCCC1 ZINC000008854780 571127777 /nfs/dbraw/zinc/12/77/77/571127777.db2.gz NPZSEMPUBXFUKD-UHFFFAOYSA-N 1 0 423.307 4.187 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000008867675 571129267 /nfs/dbraw/zinc/12/92/67/571129267.db2.gz CRAOTSUSWDADJO-QFIPXVFZSA-N 1 0 416.949 4.379 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2C)[NH+]2CCCCC2)cc1 ZINC000008867651 571129285 /nfs/dbraw/zinc/12/92/85/571129285.db2.gz GONPFYRIGJOQIL-OAQYLSRUSA-N 1 0 416.949 4.379 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(OC)ccc4nc3C)c(C)c2)CC1 ZINC000040024180 571139735 /nfs/dbraw/zinc/13/97/35/571139735.db2.gz ODTYQQWZKMAWQK-UHFFFAOYSA-N 1 0 418.541 4.254 50 0 HIAARO C[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(Br)c1 ZINC000040104066 571164758 /nfs/dbraw/zinc/16/47/58/571164758.db2.gz FMQMXSBEANTDAC-OAHLLOKOSA-N 1 0 417.351 4.084 50 0 HIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000069441973 571228071 /nfs/dbraw/zinc/22/80/71/571228071.db2.gz QMWLDDYTINPBJP-GGAORHGYSA-N 1 0 404.514 4.033 50 0 HIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009549063 571268032 /nfs/dbraw/zinc/26/80/32/571268032.db2.gz JDAMYOSLTWLZTG-HSZRJFAPSA-N 1 0 421.541 4.378 50 0 HIAARO Cc1c(=O)c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2oc1-c1ccccc1 ZINC000010086772 571294850 /nfs/dbraw/zinc/29/48/50/571294850.db2.gz RIXDSOSZMUTZMB-UHFFFAOYSA-N 1 0 404.510 4.374 50 0 HIAARO COc1ccccc1C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccs3)CC2)nc1 ZINC000034681827 571316385 /nfs/dbraw/zinc/31/63/85/571316385.db2.gz DITYSZFJMRFHKC-UHFFFAOYSA-N 1 0 422.554 4.116 50 0 HIAARO C[N@@H+]1CCCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000003382668 845015389 /nfs/dbraw/zinc/01/53/89/845015389.db2.gz IXRQNOGXPHZFSO-JLHYYAGUSA-N 1 0 420.944 4.370 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1Cl ZINC000011661390 845822956 /nfs/dbraw/zinc/82/29/56/845822956.db2.gz CGTIOFLRJCELMF-OAHLLOKOSA-N 1 0 406.910 4.065 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccc2ccccc2c1 ZINC000011790492 845833491 /nfs/dbraw/zinc/83/34/91/845833491.db2.gz QXNGCQRFTNGPCD-DEOSSOPVSA-N 1 0 415.537 4.178 50 0 HIAARO c1ccc2c(c1)nc([C@@H]1CCCO1)n2C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000011789771 845833683 /nfs/dbraw/zinc/83/36/83/845833683.db2.gz XEBSDNYAZSSWPM-QHCPKHFHSA-N 1 0 419.525 4.496 50 0 HIAARO CN(C(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1)[C@@H]1CCOC1 ZINC000011816575 845836313 /nfs/dbraw/zinc/83/63/13/845836313.db2.gz FDHLAAMMGUWWQC-QGZVFWFLSA-N 1 0 408.970 4.090 50 0 HIAARO CSc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000011822151 845837133 /nfs/dbraw/zinc/83/71/33/845837133.db2.gz KAYURVYFPJQQQI-OAQYLSRUSA-N 1 0 409.599 4.144 50 0 HIAARO COc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c2ccccc2n1 ZINC000011843695 845837968 /nfs/dbraw/zinc/83/79/68/845837968.db2.gz NFLQNTMBARARTC-HXUWFJFHSA-N 1 0 403.526 4.023 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000011844414 845838263 /nfs/dbraw/zinc/83/82/63/845838263.db2.gz XJOSBRGTBLUHIL-INIZCTEOSA-N 1 0 412.452 4.221 50 0 HIAARO CCCn1ncc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c1C ZINC000011874782 845839161 /nfs/dbraw/zinc/83/91/61/845839161.db2.gz JWUDVIPPHNHOPL-UHFFFAOYSA-N 1 0 424.589 4.271 50 0 HIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000011878745 845839358 /nfs/dbraw/zinc/83/93/58/845839358.db2.gz WXRLPFAPASVWSO-OAHLLOKOSA-N 1 0 400.935 4.438 50 0 HIAARO O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)C[C@H]([NH2+]CC1CC1)CC3 ZINC000012281170 845865805 /nfs/dbraw/zinc/86/58/05/845865805.db2.gz MBUOMLSTOCGBLG-QGZVFWFLSA-N 1 0 418.566 4.039 50 0 HIAARO Cc1cnc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)cn1 ZINC000012302977 845866885 /nfs/dbraw/zinc/86/68/85/845866885.db2.gz CFHUDTREDSPDLP-UHFFFAOYSA-N 1 0 420.601 4.433 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000012474703 845873095 /nfs/dbraw/zinc/87/30/95/845873095.db2.gz COVIINQURZVAGK-UHFFFAOYSA-N 1 0 406.998 4.401 50 0 HIAARO CCOc1cc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000012779934 845890125 /nfs/dbraw/zinc/89/01/25/845890125.db2.gz RUGOOWPJVXVQAJ-JBVUFVISSA-N 1 0 414.933 4.151 50 0 HIAARO COc1cc(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000012976942 845900929 /nfs/dbraw/zinc/90/09/29/845900929.db2.gz OPOGDFKHPXHCIB-ZRDIBKRKSA-N 1 0 408.542 4.276 50 0 HIAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000014732614 845975565 /nfs/dbraw/zinc/97/55/65/845975565.db2.gz MYCXMKGVKHDXKI-OAQYLSRUSA-N 1 0 420.601 4.098 50 0 HIAARO COc1ccc(/C=C/C(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)cc1 ZINC000014952259 845994568 /nfs/dbraw/zinc/99/45/68/845994568.db2.gz OAXPUHBSEMVXDP-ONICOFAUSA-N 1 0 404.554 4.264 50 0 HIAARO Cc1c(C(=O)N[C@H](C)c2ccccc2Cl)sc2ncnc(NCC[NH+](C)C)c12 ZINC000014958926 845994608 /nfs/dbraw/zinc/99/46/08/845994608.db2.gz VSDIDGYSSAJHHS-CYBMUJFWSA-N 1 0 417.966 4.118 50 0 HIAARO CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2C[NH2+]CC2CCCCC2)CC1 ZINC000014990529 845996553 /nfs/dbraw/zinc/99/65/53/845996553.db2.gz IWNUDMSERIZGCZ-UHFFFAOYSA-N 1 0 424.589 4.492 50 0 HIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(SC)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000015069927 846005397 /nfs/dbraw/zinc/00/53/97/846005397.db2.gz DGVXIECPTZCMEZ-PTLVVNQVSA-N 1 0 408.567 4.355 50 0 HIAARO CSc1ncc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132430 849975925 /nfs/dbraw/zinc/97/59/25/849975925.db2.gz LGPOYAFFIWSAFG-GOSISDBHSA-N 1 0 405.011 4.238 50 0 HIAARO O=C(NC1CC1)c1ccccc1OC[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000169765276 853658748 /nfs/dbraw/zinc/65/87/48/853658748.db2.gz XARMDVBSAFNBKR-GOSISDBHSA-N 1 0 403.526 4.351 50 0 HIAARO O=C(c1ccoc1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776684 853662309 /nfs/dbraw/zinc/66/23/09/853662309.db2.gz YTDYEWZTTNFQTM-QFIPXVFZSA-N 1 0 412.505 4.237 50 0 HIAARO FC1(F)C[C@@H](COc2cccnc2)N(C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000257176424 854232649 /nfs/dbraw/zinc/23/26/49/854232649.db2.gz STDYHUJYXGLLOH-QFIPXVFZSA-N 1 0 415.528 4.267 50 0 HIAARO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCCCCN1 ZINC000257186800 854233695 /nfs/dbraw/zinc/23/36/95/854233695.db2.gz ZUICUSYBZCQVPM-QFIPXVFZSA-N 1 0 406.505 4.449 50 0 HIAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)CN1Cc1ccc2ccccc2c1 ZINC000299758679 854280769 /nfs/dbraw/zinc/28/07/69/854280769.db2.gz NXJYIBSNYUXQJN-FTJBHMTQSA-N 1 0 415.581 4.442 50 0 HIAARO COc1cc(C=Cc2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)ccc1OCc1ccc(F)cc1 ZINC000328595787 855422720 /nfs/dbraw/zinc/42/27/20/855422720.db2.gz FCLVURASBONJJV-UXBLZVDNSA-N 1 0 421.472 4.067 50 0 HIAARO COCCn1c(C)cnc1C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000575317188 948644326 /nfs/dbraw/zinc/64/43/26/948644326.db2.gz DJJBXSVGBCKEDB-SFHVURJKSA-N 1 0 411.468 4.191 50 0 HIAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc21 ZINC000002468644 132255151 /nfs/dbraw/zinc/25/51/51/132255151.db2.gz ULABROCDCHFZII-UHFFFAOYSA-N 1 0 406.505 4.313 50 0 HIAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH2+]Cc3ccon3)CC2)c1 ZINC000011910560 132352100 /nfs/dbraw/zinc/35/21/00/132352100.db2.gz QHFFKOPHIGCTHT-UHFFFAOYSA-N 1 0 418.541 4.395 50 0 HIAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1 ZINC000012149431 132355251 /nfs/dbraw/zinc/35/52/51/132355251.db2.gz QEOPLFQXRRMEQA-UHFFFAOYSA-N 1 0 409.549 4.299 50 0 HIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000012298194 132358203 /nfs/dbraw/zinc/35/82/03/132358203.db2.gz LYTVLXQXRIKCPF-QHCPKHFHSA-N 1 0 420.601 4.039 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012564731 132364294 /nfs/dbraw/zinc/36/42/94/132364294.db2.gz DTRBTNWWFLFVQB-HXUWFJFHSA-N 1 0 415.537 4.480 50 0 HIAARO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000012592407 132364755 /nfs/dbraw/zinc/36/47/55/132364755.db2.gz FFALMJAEKGUGAI-HSZRJFAPSA-N 1 0 420.601 4.039 50 0 HIAARO OC[C@H]1CCCN(c2nc3cc4c(cc3cc2C[NH2+]CCC2=CCCCC2)OCO4)C1 ZINC000014885808 132460578 /nfs/dbraw/zinc/46/05/78/132460578.db2.gz WYZORCBKKLICDV-IBGZPJMESA-N 1 0 423.557 4.152 50 0 HIAARO CC(C)Oc1c(Br)cc(C[NH2+]C[C@@H]2CCCO2)cc1Br ZINC000040730490 519777549 /nfs/dbraw/zinc/77/75/49/519777549.db2.gz PQEWPKZPVOBXBG-LBPRGKRZSA-N 1 0 407.146 4.267 50 0 HIAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1cccc(Cl)c1 ZINC000020601588 520532664 /nfs/dbraw/zinc/53/26/64/520532664.db2.gz WNHMXIMJKDBLPI-YADHBBJMSA-N 1 0 406.014 4.464 50 0 HIAARO COc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1ccccc1F ZINC000040720994 522446323 /nfs/dbraw/zinc/44/63/23/522446323.db2.gz DYLBPRMIRLMUGN-UHFFFAOYSA-N 1 0 412.299 4.038 50 0 HIAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)[NH+]2CCCC2)cc1 ZINC000032623076 524029448 /nfs/dbraw/zinc/02/94/48/524029448.db2.gz FRUBQIJOZHANBL-HSZRJFAPSA-N 1 0 419.525 4.480 50 0 HIAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCSc2nnnn2C)c1 ZINC000040744729 524448700 /nfs/dbraw/zinc/44/87/00/524448700.db2.gz MVSIHJHKKDPFTB-UHFFFAOYSA-N 1 0 419.554 4.133 50 0 HIAARO Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000032760684 527208680 /nfs/dbraw/zinc/20/86/80/527208680.db2.gz WHRYQALWSUFTJV-FQEVSTJZSA-N 1 0 409.603 4.351 50 0 HIAARO Fc1ccc(C[NH+]2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)c2ncccc12 ZINC000071890599 557318150 /nfs/dbraw/zinc/31/81/50/557318150.db2.gz UISIRGRGLNSNDE-IBGZPJMESA-N 1 0 405.521 4.462 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002419928 557346135 /nfs/dbraw/zinc/34/61/35/557346135.db2.gz KMSHCEISXOGTJK-FQEVSTJZSA-N 1 0 410.901 4.333 50 0 HIAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000002734535 557373624 /nfs/dbraw/zinc/37/36/24/557373624.db2.gz OFOHOYJTDCSGDL-IBGZPJMESA-N 1 0 401.348 4.320 50 0 HIAARO Cc1ccc(N(C2CC[NH+](CC(C)C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034683787 557386835 /nfs/dbraw/zinc/38/68/35/557386835.db2.gz SRZLGDVDYQWVML-UHFFFAOYSA-N 1 0 404.551 4.450 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c3n2CCC3)cc1 ZINC000004070309 557509351 /nfs/dbraw/zinc/50/93/51/557509351.db2.gz OCSYXDGHNWBLSC-RZFNWQHOSA-N 1 0 411.566 4.401 50 0 HIAARO COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000004122650 557517016 /nfs/dbraw/zinc/51/70/16/557517016.db2.gz PPRUNTRMBSVSLV-UHFFFAOYSA-N 1 0 417.962 4.461 50 0 HIAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000004751983 557593052 /nfs/dbraw/zinc/59/30/52/557593052.db2.gz DRNOSUGALDCMNO-QHCPKHFHSA-N 1 0 416.562 4.247 50 0 HIAARO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Br)cc1OCCO ZINC000004820717 557602731 /nfs/dbraw/zinc/60/27/31/557602731.db2.gz IQMISMLYDKQPKX-UHFFFAOYSA-N 1 0 424.379 4.277 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)sc3c2c1 ZINC000004954258 557616990 /nfs/dbraw/zinc/61/69/90/557616990.db2.gz WOWCYTWKVNXUDA-HZPDHXFCSA-N 1 0 411.571 4.434 50 0 HIAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc2ccccc21 ZINC000005274589 557642917 /nfs/dbraw/zinc/64/29/17/557642917.db2.gz RYLDHEMBDUBCAH-OAQYLSRUSA-N 1 0 417.896 4.439 50 0 HIAARO Fc1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000009249998 557832602 /nfs/dbraw/zinc/83/26/02/557832602.db2.gz ZVTWPIVPENDXBC-UHFFFAOYSA-N 1 0 409.490 4.333 50 0 HIAARO COc1ccc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c(F)c1 ZINC000019720778 558258952 /nfs/dbraw/zinc/25/89/52/558258952.db2.gz BLDSWPNZLHUZGC-NRFANRHFSA-N 1 0 417.956 4.274 50 0 HIAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)no1 ZINC000011662753 558266505 /nfs/dbraw/zinc/26/65/05/558266505.db2.gz MWNIOYOIDADZJL-IBGZPJMESA-N 1 0 401.510 4.196 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1[nH]nc2ccccc21 ZINC000011663754 558267337 /nfs/dbraw/zinc/26/73/37/558267337.db2.gz MKSSYFOBQTUJBI-INIZCTEOSA-N 1 0 416.447 4.224 50 0 HIAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3c(C)[nH]c4ccccc43)C2)cc1 ZINC000011753492 558272206 /nfs/dbraw/zinc/27/22/06/558272206.db2.gz XMMTYZXHJCCNOT-FQEVSTJZSA-N 1 0 405.542 4.056 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]CCCN3CCCC3=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000011816410 558279896 /nfs/dbraw/zinc/27/98/96/558279896.db2.gz MCAVBRFFNSAJPF-UHFFFAOYSA-N 1 0 406.505 4.089 50 0 HIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011816955 558280468 /nfs/dbraw/zinc/28/04/68/558280468.db2.gz HAROKHRFDSMPAW-UHFFFAOYSA-N 1 0 403.906 4.112 50 0 HIAARO Cc1ccc(C[C@@H](C)[NH+]2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)nc1 ZINC000011820586 558283978 /nfs/dbraw/zinc/28/39/78/558283978.db2.gz WIWNODXGXWYMTG-HXUWFJFHSA-N 1 0 407.558 4.100 50 0 HIAARO CN(Cc1cccn1-c1ncccn1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842535 558287686 /nfs/dbraw/zinc/28/76/86/558287686.db2.gz DQEAZIKXOQCWBC-OAQYLSRUSA-N 1 0 423.992 4.307 50 0 HIAARO Cc1ccccc1C[N@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000011911523 558296910 /nfs/dbraw/zinc/29/69/10/558296910.db2.gz KNIGOAABOFYROJ-NQIIRXRSSA-N 1 0 408.571 4.131 50 0 HIAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1 ZINC000011936997 558300696 /nfs/dbraw/zinc/30/06/96/558300696.db2.gz VDPXFYDCFDINBZ-IBGZPJMESA-N 1 0 402.498 4.428 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1cccnc1 ZINC000011937867 558301343 /nfs/dbraw/zinc/30/13/43/558301343.db2.gz SGEJAKOSFREUFX-HXUWFJFHSA-N 1 0 419.491 4.056 50 0 HIAARO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)ccc1OC ZINC000011978328 558305852 /nfs/dbraw/zinc/30/58/52/558305852.db2.gz YTCGFGCZKBSRRM-JOCHJYFZSA-N 1 0 422.569 4.055 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)N1Cc1ccccc1OC(F)(F)F ZINC000012149575 558338579 /nfs/dbraw/zinc/33/85/79/558338579.db2.gz XLJWEZFCTRKFTB-SFHVURJKSA-N 1 0 410.411 4.395 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1cc(C(F)(F)F)ccc1F ZINC000012283596 558365386 /nfs/dbraw/zinc/36/53/86/558365386.db2.gz VXPVJLPENPOJLM-SFHVURJKSA-N 1 0 424.438 4.394 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000020453742 558367780 /nfs/dbraw/zinc/36/77/80/558367780.db2.gz CVCYPUKNJZMMPV-NRFANRHFSA-N 1 0 411.615 4.204 50 0 HIAARO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012300117 558370088 /nfs/dbraw/zinc/37/00/88/558370088.db2.gz PHUXNENBROMIGZ-FQEVSTJZSA-N 1 0 408.590 4.483 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012303438 558373107 /nfs/dbraw/zinc/37/31/07/558373107.db2.gz RFVMNANEWSIVAU-GOSISDBHSA-N 1 0 403.929 4.291 50 0 HIAARO Clc1ccc(Cn2cc(C[NH2+]CCN3CCOCC3)c3ccccc32)c(Cl)c1 ZINC000020477774 558374515 /nfs/dbraw/zinc/37/45/15/558374515.db2.gz MYZGRXKWANCILN-UHFFFAOYSA-N 1 0 418.368 4.418 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012306045 558374967 /nfs/dbraw/zinc/37/49/67/558374967.db2.gz LBNYBVCBFIWGGN-HXRGIAOBSA-N 1 0 416.525 4.449 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)NCc1cccnc1 ZINC000012320435 558382261 /nfs/dbraw/zinc/38/22/61/558382261.db2.gz MYYGPYCEKSSIOG-UHFFFAOYSA-N 1 0 405.464 4.409 50 0 HIAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000012429977 558404660 /nfs/dbraw/zinc/40/46/60/558404660.db2.gz VTKHTYFOGOPLTF-UHFFFAOYSA-N 1 0 404.514 4.290 50 0 HIAARO CCCOc1ccc(Cl)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000020928979 558423982 /nfs/dbraw/zinc/42/39/82/558423982.db2.gz JHRFTZHZJZLMGR-UHFFFAOYSA-N 1 0 417.966 4.377 50 0 HIAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012577420 558431618 /nfs/dbraw/zinc/43/16/18/558431618.db2.gz GLWYBXSZPVUVQY-NRFANRHFSA-N 1 0 418.541 4.300 50 0 HIAARO COc1cc(OC)c(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000012579545 558432125 /nfs/dbraw/zinc/43/21/25/558432125.db2.gz DRKBNVPIPQDMBZ-QHCPKHFHSA-N 1 0 419.949 4.183 50 0 HIAARO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012583400 558433330 /nfs/dbraw/zinc/43/33/30/558433330.db2.gz WOKMRLYMNLLOEE-UHFFFAOYSA-N 1 0 405.460 4.458 50 0 HIAARO COCc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)ccc1OC ZINC000012587420 558434416 /nfs/dbraw/zinc/43/44/16/558434416.db2.gz HNOOJNWCSHIPRM-SFHVURJKSA-N 1 0 401.478 4.084 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012587804 558434682 /nfs/dbraw/zinc/43/46/82/558434682.db2.gz QHOHUAXLELBICQ-IBGZPJMESA-N 1 0 405.517 4.401 50 0 HIAARO COC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012612469 558438933 /nfs/dbraw/zinc/43/89/33/558438933.db2.gz STTGWNAQDZKDBQ-GOSISDBHSA-N 1 0 405.498 4.126 50 0 HIAARO Cn1cc(C[NH+]2CCC(N3CCOCC3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012708778 558450992 /nfs/dbraw/zinc/45/09/92/558450992.db2.gz IUHJIPKODVBSJB-UHFFFAOYSA-N 1 0 422.617 4.431 50 0 HIAARO O=C(c1ccc(OC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1)N1CCCC1 ZINC000012711535 558452778 /nfs/dbraw/zinc/45/27/78/558452778.db2.gz DIGXBDANEVWYCT-UHFFFAOYSA-N 1 0 403.526 4.447 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CC(F)(F)F ZINC000012715911 558455184 /nfs/dbraw/zinc/45/51/84/558455184.db2.gz BVHHJCBVLJAXQJ-OAHLLOKOSA-N 1 0 410.402 4.371 50 0 HIAARO COc1ccccc1[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)N1CCCC1 ZINC000022015888 558458042 /nfs/dbraw/zinc/45/80/42/558458042.db2.gz FSCALMYQHHJPIZ-LJQANCHMSA-N 1 0 402.922 4.047 50 0 HIAARO CC(C)[NH+](CCNC[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C(C)C ZINC000022030110 558459065 /nfs/dbraw/zinc/45/90/65/558459065.db2.gz XWEGKKKIRHQVSS-XMMPIXPASA-N 1 0 412.618 4.461 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)Cc1cccc(Cl)c1 ZINC000012750808 558459124 /nfs/dbraw/zinc/45/91/24/558459124.db2.gz AQNJOSBAVSEKAF-UHFFFAOYSA-N 1 0 402.941 4.435 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)[NH+]2CCCC2)cc1 ZINC000022620347 558503297 /nfs/dbraw/zinc/50/32/97/558503297.db2.gz ZJFYMNUTKOXWHI-QFIPXVFZSA-N 1 0 423.557 4.247 50 0 HIAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccnc1Cl ZINC000022773217 558509082 /nfs/dbraw/zinc/50/90/82/558509082.db2.gz QVTKZMCCMLNJMQ-UHFFFAOYSA-N 1 0 420.944 4.081 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022787085 558511320 /nfs/dbraw/zinc/51/13/20/558511320.db2.gz ZUUOCPAGEBCACI-GJZGRUSLSA-N 1 0 406.473 4.070 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000013595629 558547071 /nfs/dbraw/zinc/54/70/71/558547071.db2.gz UFLOKYHSVZBTGE-UHFFFAOYSA-N 1 0 411.498 4.030 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000023337918 558549991 /nfs/dbraw/zinc/54/99/91/558549991.db2.gz PNPHCEPLWAYZRA-MRXNPFEDSA-N 1 0 405.477 4.480 50 0 HIAARO OCC[C@@H]1CN(C2CCN(c3cccc(Cl)c3)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000023373204 558553254 /nfs/dbraw/zinc/55/32/54/558553254.db2.gz LCZMBDBXBKCQSK-XMMPIXPASA-N 1 0 420.041 4.258 50 0 HIAARO O=C(CC(c1ccccc1)c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736551 558572340 /nfs/dbraw/zinc/57/23/40/558572340.db2.gz JXYAACBDBDUECB-UHFFFAOYSA-N 1 0 406.570 4.360 50 0 HIAARO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717786 558580296 /nfs/dbraw/zinc/58/02/96/558580296.db2.gz RDVMXIYBBFLIRJ-UHFFFAOYSA-N 1 0 405.502 4.443 50 0 HIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000023883266 558580338 /nfs/dbraw/zinc/58/03/38/558580338.db2.gz BUIFRLFLWHYRGC-HNNXBMFYSA-N 1 0 403.935 4.491 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1Cl ZINC000024777832 558612679 /nfs/dbraw/zinc/61/26/79/558612679.db2.gz JWRIYRMWRXWQAV-QGZVFWFLSA-N 1 0 416.909 4.115 50 0 HIAARO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)c(C)c1 ZINC000024836927 558616176 /nfs/dbraw/zinc/61/61/76/558616176.db2.gz DNXYMLSENASXKH-HXUWFJFHSA-N 1 0 405.567 4.360 50 0 HIAARO CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000014094983 558619780 /nfs/dbraw/zinc/61/97/80/558619780.db2.gz LXJXEXLBRKXJTF-UHFFFAOYSA-N 1 0 420.601 4.343 50 0 HIAARO CC(C)(CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)[NH+]1CCCCC1 ZINC000014185802 558630749 /nfs/dbraw/zinc/63/07/49/558630749.db2.gz DNMCLKVOCQIZFF-UHFFFAOYSA-N 1 0 421.585 4.073 50 0 HIAARO O=C(Cc1csc(-c2cccs2)n1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000014189038 558632201 /nfs/dbraw/zinc/63/22/01/558632201.db2.gz RQEFQRNATFXGCW-MRXNPFEDSA-N 1 0 401.557 4.351 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccsc1 ZINC000025331728 558638637 /nfs/dbraw/zinc/63/86/37/558638637.db2.gz AHESGRDCQBKILJ-HXUWFJFHSA-N 1 0 406.511 4.227 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1cccs1 ZINC000025686552 558647899 /nfs/dbraw/zinc/64/78/99/558647899.db2.gz BLQDXBAVTPPXQW-OAQYLSRUSA-N 1 0 402.523 4.391 50 0 HIAARO C[C@@H](COc1ccccc1)[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000014948064 558680018 /nfs/dbraw/zinc/68/00/18/558680018.db2.gz AWKWTSKRVARGSD-FQEVSTJZSA-N 1 0 408.542 4.233 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027747968 558681619 /nfs/dbraw/zinc/68/16/19/558681619.db2.gz RNVSLSYSNRHDAV-HTAPYJJXSA-N 1 0 416.949 4.378 50 0 HIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000027989307 558687738 /nfs/dbraw/zinc/68/77/38/558687738.db2.gz NJFLDTXRRUMFSG-HXUWFJFHSA-N 1 0 417.347 4.090 50 0 HIAARO COc1ccc(OC)c2nc(N3CCCC3)c(C[NH2+]CCc3ccccc3F)cc12 ZINC000014979860 558690948 /nfs/dbraw/zinc/69/09/48/558690948.db2.gz FCHUQTJHHZEQJO-UHFFFAOYSA-N 1 0 409.505 4.324 50 0 HIAARO Cc1nn(C)c(Cl)c1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014981167 558691740 /nfs/dbraw/zinc/69/17/40/558691740.db2.gz AJTUOCJLDNRKRH-FQEVSTJZSA-N 1 0 409.018 4.018 50 0 HIAARO COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000014988911 558693542 /nfs/dbraw/zinc/69/35/42/558693542.db2.gz VMGLSPVGKAZJKY-FQEVSTJZSA-N 1 0 420.475 4.427 50 0 HIAARO O=C(CCc1cccs1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014990439 558694039 /nfs/dbraw/zinc/69/40/39/558694039.db2.gz DYDGZGNHYMHJIX-QHCPKHFHSA-N 1 0 406.551 4.433 50 0 HIAARO Cc1cccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000014992348 558694902 /nfs/dbraw/zinc/69/49/02/558694902.db2.gz SUXUBKSPKPRGKI-RXVVDRJESA-N 1 0 408.571 4.131 50 0 HIAARO CC[NH+]1CCN(C2(CNC(=O)c3oc4cc(C)cc(C)c4c3C)CCCCC2)CC1 ZINC000028290659 558696853 /nfs/dbraw/zinc/69/68/53/558696853.db2.gz GUPXDIMOBVVMMQ-UHFFFAOYSA-N 1 0 411.590 4.428 50 0 HIAARO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+](C)C)oc2c1 ZINC000028291264 558697338 /nfs/dbraw/zinc/69/73/38/558697338.db2.gz YGWRZVAMCUEQMF-FQEVSTJZSA-N 1 0 406.526 4.432 50 0 HIAARO CC[NH+]1CCN(C2(CNC(=O)c3oc4ccc(Cl)cc4c3C)CCCCC2)CC1 ZINC000028293571 558698555 /nfs/dbraw/zinc/69/85/55/558698555.db2.gz YVGMCGLYENQMHR-UHFFFAOYSA-N 1 0 417.981 4.465 50 0 HIAARO COc1cc(C(=O)NCc2cccc(C)n2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015064736 558707543 /nfs/dbraw/zinc/70/75/43/558707543.db2.gz RHGHMJFSOJPKHH-UHFFFAOYSA-N 1 0 423.557 4.114 50 0 HIAARO C[C@@H](CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070482 558712405 /nfs/dbraw/zinc/71/24/05/558712405.db2.gz SNLCVLMNGCGOKF-LPHOPBHVSA-N 1 0 414.933 4.343 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015077445 558717191 /nfs/dbraw/zinc/71/71/91/558717191.db2.gz DJQBMYYNMRACEK-AREMUKBSSA-N 1 0 419.613 4.066 50 0 HIAARO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)cc1Cl ZINC000072294164 558738581 /nfs/dbraw/zinc/73/85/81/558738581.db2.gz WOBRXMGDTGSBIN-MRXNPFEDSA-N 1 0 417.937 4.486 50 0 HIAARO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)cc1Cl ZINC000072294165 558738607 /nfs/dbraw/zinc/73/86/07/558738607.db2.gz WOBRXMGDTGSBIN-INIZCTEOSA-N 1 0 417.937 4.486 50 0 HIAARO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087233 558760542 /nfs/dbraw/zinc/76/05/42/558760542.db2.gz KJQDTPNEYHOOIE-SFHVURJKSA-N 1 0 402.560 4.437 50 0 HIAARO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004580654 558766732 /nfs/dbraw/zinc/76/67/32/558766732.db2.gz TXUPPQDKPCVYJB-UHFFFAOYSA-N 1 0 402.604 4.085 50 0 HIAARO COc1cccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c1 ZINC000057481162 558781920 /nfs/dbraw/zinc/78/19/20/558781920.db2.gz KIYQNRREFVVRSD-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 aggregator HIAARO COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4cc(Cl)ccc4C)CC3)c2c1 ZINC000034847901 558784796 /nfs/dbraw/zinc/78/47/96/558784796.db2.gz XRSAMAVONBEYQJ-UHFFFAOYSA-N 1 0 411.933 4.452 50 0 HIAARO CC(=O)Nc1ccc(OC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000060241942 558789440 /nfs/dbraw/zinc/78/94/40/558789440.db2.gz OUNGZDGWKWDZJT-FQEVSTJZSA-N 1 0 406.404 4.005 50 0 HIAARO COc1ccc(OC)c2c(C)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)nc12 ZINC000016667648 558798541 /nfs/dbraw/zinc/79/85/41/558798541.db2.gz IILBTJVCKSNBMR-JXMROGBWSA-N 1 0 403.526 4.396 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984075 558805079 /nfs/dbraw/zinc/80/50/79/558805079.db2.gz PPVHHDMIHIEKHN-PAJXCOJRSA-N 1 0 419.525 4.053 50 0 HIAARO COC(=O)c1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000039557909 558822457 /nfs/dbraw/zinc/82/24/57/558822457.db2.gz ZZLZHMWVQJFKAB-ZEQRLZLVSA-N 1 0 420.553 4.234 50 0 HIAARO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000033015063 558834385 /nfs/dbraw/zinc/83/43/85/558834385.db2.gz XGXAWKQKLFEYCX-QHCPKHFHSA-N 1 0 419.521 4.057 50 0 HIAARO Cc1cc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)cc(C)[nH+]1 ZINC000019146497 558846779 /nfs/dbraw/zinc/84/67/79/558846779.db2.gz UMXSSYGBKFUVNP-UHFFFAOYSA-N 1 0 417.435 4.089 50 0 HIAARO COc1cc(OC)c(OC)cc1CN(C)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019300524 558866517 /nfs/dbraw/zinc/86/65/17/558866517.db2.gz QQHFJQFUKURFTK-JOCHJYFZSA-N 1 0 412.574 4.241 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)CC1 ZINC000033106314 558874074 /nfs/dbraw/zinc/87/40/74/558874074.db2.gz FBWVNRGWRSFGMG-UHFFFAOYSA-N 1 0 416.525 4.028 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cccc(CC)c4)c(C)c32)CC1 ZINC000033048407 558885777 /nfs/dbraw/zinc/88/57/77/558885777.db2.gz QPISALZFDABMED-UHFFFAOYSA-N 1 0 423.586 4.346 50 0 HIAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000004689284 558899333 /nfs/dbraw/zinc/89/93/33/558899333.db2.gz RYKZIJDNXVDKHS-WMLDXEAASA-N 1 0 422.451 4.047 50 0 HIAARO O=C1CCCN1CCCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000058167943 558907458 /nfs/dbraw/zinc/90/74/58/558907458.db2.gz ILEAYMCNVUCOQQ-UHFFFAOYSA-N 1 0 418.006 4.199 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1 ZINC000033260945 558926520 /nfs/dbraw/zinc/92/65/20/558926520.db2.gz UQBRTXGKIPBZKQ-UHFFFAOYSA-N 1 0 403.530 4.267 50 0 HIAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c2ccccc21 ZINC000060063497 558940819 /nfs/dbraw/zinc/94/08/19/558940819.db2.gz BTCGVNJZOWPIHW-UHFFFAOYSA-N 1 0 405.329 4.464 50 0 HIAARO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000064044252 558961886 /nfs/dbraw/zinc/96/18/86/558961886.db2.gz UHKFNNLDBNSBSC-FQEVSTJZSA-N 1 0 412.965 4.467 50 0 HIAARO Cc1nn2c(ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C)c1-c1ccccc1 ZINC000021914602 558971476 /nfs/dbraw/zinc/97/14/76/558971476.db2.gz XJQHVPQDTZBGLX-UHFFFAOYSA-N 1 0 417.557 4.104 50 0 HIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](C/C=C/c4ccccc4)C3)C2=O)c1OC ZINC000072429563 558979135 /nfs/dbraw/zinc/97/91/35/558979135.db2.gz DRCHLXCKNNMAFX-DICASGCDSA-N 1 0 420.553 4.232 50 0 HIAARO Cc1c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576172 558979496 /nfs/dbraw/zinc/97/94/96/558979496.db2.gz PNZHAWYWOLWYAC-RTWAWAEBSA-N 1 0 405.542 4.111 50 0 HIAARO CC[NH+]1CCN(Cc2cc3ccc(C)cc3nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000072447510 558982659 /nfs/dbraw/zinc/98/26/59/558982659.db2.gz HXXJHEMTPJAMLR-UHFFFAOYSA-N 1 0 405.542 4.365 50 0 HIAARO CCNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072457826 558983179 /nfs/dbraw/zinc/98/31/79/558983179.db2.gz HKUWJTOQQSOFHU-IBGZPJMESA-N 1 0 405.498 4.400 50 0 HIAARO OC[C@H]1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474212 558983506 /nfs/dbraw/zinc/98/35/06/558983506.db2.gz UXWKNKHSFQMOHY-HNNXBMFYSA-N 1 0 410.901 4.488 50 0 HIAARO C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031403 558985427 /nfs/dbraw/zinc/98/54/27/558985427.db2.gz XKMHUPMHVSUKQK-OXQOHEQNSA-N 1 0 402.995 4.004 50 0 HIAARO CCOc1cc(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)cc(Cl)c1OCC ZINC000067847489 558993866 /nfs/dbraw/zinc/99/38/66/558993866.db2.gz GFWGCADLDQMKQW-UHFFFAOYSA-N 1 0 404.869 4.408 50 0 HIAARO O[C@H](COc1ccc(Cl)c2ccccc12)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023109828 559011329 /nfs/dbraw/zinc/01/13/29/559011329.db2.gz IFHBUKSCDKSEJX-IBGZPJMESA-N 1 0 414.908 4.194 50 0 HIAARO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138540 559040498 /nfs/dbraw/zinc/04/04/98/559040498.db2.gz MRFFDFQYWWITLN-VWLOTQADSA-N 1 0 419.613 4.030 50 0 HIAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000095929237 559089044 /nfs/dbraw/zinc/08/90/44/559089044.db2.gz FQBZFFJMYMOTQU-UHFFFAOYSA-N 1 0 421.491 4.311 50 0 HIAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023387385 559173787 /nfs/dbraw/zinc/17/37/87/559173787.db2.gz JTWXHVVIINEFQJ-HXUWFJFHSA-N 1 0 422.491 4.391 50 0 HIAARO COc1ccc2cc3cc(C(=O)NCC[N@H+](C)Cc4ccccc4)sc3nc2c1 ZINC000004900168 559199312 /nfs/dbraw/zinc/19/93/12/559199312.db2.gz HNTNTNFDFALUPJ-UHFFFAOYSA-N 1 0 405.523 4.320 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005092104 559243858 /nfs/dbraw/zinc/24/38/58/559243858.db2.gz ZATXLCPZSKSJCW-OAQYLSRUSA-N 1 0 421.541 4.449 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093747 559244430 /nfs/dbraw/zinc/24/44/30/559244430.db2.gz KANUWOBNLCKHGV-JOCHJYFZSA-N 1 0 421.541 4.449 50 0 HIAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)sc2c1 ZINC000005115167 559247258 /nfs/dbraw/zinc/24/72/58/559247258.db2.gz NTBQAHNCFNWFPZ-CSKARUKUSA-N 1 0 401.557 4.365 50 0 HIAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)nc21 ZINC000005115614 559247281 /nfs/dbraw/zinc/24/72/81/559247281.db2.gz XQHROMJMEVGBIZ-ZHACJKMWSA-N 1 0 401.557 4.365 50 0 HIAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000011839707 559261508 /nfs/dbraw/zinc/26/15/08/559261508.db2.gz KMJAOIQANQPJDX-UHFFFAOYSA-N 1 0 409.448 4.411 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccccc3C)nc21 ZINC000005256908 560550853 /nfs/dbraw/zinc/55/08/53/560550853.db2.gz WKWSXQHVTBULIG-UHFFFAOYSA-N 1 0 403.935 4.475 50 0 HIAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000046615719 560559490 /nfs/dbraw/zinc/55/94/90/560559490.db2.gz XYRCZVNVNFDVGA-WMZHIEFXSA-N 1 0 419.569 4.268 50 0 HIAARO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000005477945 560594933 /nfs/dbraw/zinc/59/49/33/560594933.db2.gz DZKAPQULWJMBEF-UHFFFAOYSA-N 1 0 419.525 4.156 50 0 HIAARO C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)CC1 ZINC000005525579 560627044 /nfs/dbraw/zinc/62/70/44/560627044.db2.gz FEXGQYJKRAOFKU-UHFFFAOYSA-N 1 0 400.313 4.264 50 0 HIAARO CC[NH+](CC)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000017287680 560705925 /nfs/dbraw/zinc/70/59/25/560705925.db2.gz HGECNUXOXAUPNY-UHFFFAOYSA-N 1 0 419.508 4.452 50 0 HIAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C)cc3)n2)CC1 ZINC000017288690 560706041 /nfs/dbraw/zinc/70/60/41/560706041.db2.gz AZYTTWHRHSXFPR-UHFFFAOYSA-N 1 0 413.529 4.009 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]Cc2cccnc2)cc1Br ZINC000010315529 560767633 /nfs/dbraw/zinc/76/76/33/560767633.db2.gz DKIXFWHZCFBDMM-UHFFFAOYSA-N 1 0 400.114 4.295 50 0 HIAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983522 560859281 /nfs/dbraw/zinc/85/92/81/560859281.db2.gz JANGWTKBWNVUSY-FCHUYYIVSA-N 1 0 416.949 4.121 50 0 HIAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC000105750451 560877354 /nfs/dbraw/zinc/87/73/54/560877354.db2.gz KMJNBVKULZSWQF-GGAORHGYSA-N 1 0 403.950 4.378 50 0 HIAARO COc1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000020241812 560883266 /nfs/dbraw/zinc/88/32/66/560883266.db2.gz IDOOOFPZFFXJDM-UHFFFAOYSA-N 1 0 415.537 4.265 50 0 HIAARO CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000048066008 568431848 /nfs/dbraw/zinc/43/18/48/568431848.db2.gz AZLFHJLWOLEZRK-SDNWHVSQSA-N 1 0 407.514 4.003 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000048332232 568439979 /nfs/dbraw/zinc/43/99/79/568439979.db2.gz OPCZHKOLCNRFFK-HXUWFJFHSA-N 1 0 414.575 4.189 50 0 HIAARO CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000048346111 568440987 /nfs/dbraw/zinc/44/09/87/568440987.db2.gz JHTFITXLDZPVDA-SDNWHVSQSA-N 1 0 421.541 4.311 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)Cc1ccccc1 ZINC000049574072 568452188 /nfs/dbraw/zinc/45/21/88/568452188.db2.gz WLGVHNBXQKWPIS-QFIPXVFZSA-N 1 0 415.537 4.091 50 0 HIAARO COc1cc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC000000809667 568487555 /nfs/dbraw/zinc/48/75/55/568487555.db2.gz ZTERSDYOTIWKLT-UHFFFAOYSA-N 1 0 424.545 4.160 50 0 HIAARO COc1ccc([C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)C)cc1OC ZINC000604403936 568492311 /nfs/dbraw/zinc/49/23/11/568492311.db2.gz FFHNLCCMOAAXKP-MIZPHKNDSA-N 1 0 417.594 4.307 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261193 568513010 /nfs/dbraw/zinc/51/30/10/568513010.db2.gz AQRKIPQUHZAWRE-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO COc1cc(OC)c(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1Cl ZINC000033312161 568513701 /nfs/dbraw/zinc/51/37/01/568513701.db2.gz IQDLJMUEFDUSDS-HNNXBMFYSA-N 1 0 409.958 4.333 50 0 HIAARO FC(F)(F)c1cnc(OCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(Cl)c1 ZINC000222130597 568514323 /nfs/dbraw/zinc/51/43/23/568514323.db2.gz BUHFHBODGWGIPT-RDBSUJKOSA-N 1 0 412.930 4.492 50 0 HIAARO O[C@@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020385295 568603135 /nfs/dbraw/zinc/60/31/35/568603135.db2.gz HVESAQPZCWPJRY-GOSISDBHSA-N 1 0 414.468 4.120 50 0 HIAARO C[C@@H](C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000095443061 568611011 /nfs/dbraw/zinc/61/10/11/568611011.db2.gz VIGDYYYRYSJCHW-LJQANCHMSA-N 1 0 422.617 4.049 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccncc1 ZINC000095462615 568621557 /nfs/dbraw/zinc/62/15/57/568621557.db2.gz BSMDTOCIKMVARC-GCJKJVERSA-N 1 0 408.527 4.401 50 0 HIAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(F)cc1F ZINC000020766685 568643265 /nfs/dbraw/zinc/64/32/65/568643265.db2.gz NAZLPYNPAMSDDM-UHFFFAOYSA-N 1 0 419.475 4.291 50 0 HIAARO Cc1cc(C2CC[NH+]([C@@H](C)CC(=O)Nc3cccc(Br)c3)CC2)[nH]n1 ZINC000095940887 568661742 /nfs/dbraw/zinc/66/17/42/568661742.db2.gz KNPBSWCTLGTVJA-AWEZNQCLSA-N 1 0 405.340 4.077 50 0 HIAARO Fc1ccc2c(c1)nc(C(F)(F)F)nc2NCC1([NH+]2CCOCC2)CCCCC1 ZINC000095948920 568665748 /nfs/dbraw/zinc/66/57/48/568665748.db2.gz UYAIIJHOPCRJEW-UHFFFAOYSA-N 1 0 412.431 4.235 50 0 HIAARO CCOc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)cc1 ZINC000021098336 568665965 /nfs/dbraw/zinc/66/59/65/568665965.db2.gz SKBOWHGJCLLDQF-XMMPIXPASA-N 1 0 422.525 4.478 50 0 aggregator HIAARO CN(C)[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000095956251 568669254 /nfs/dbraw/zinc/66/92/54/568669254.db2.gz IIOSTMZKDHDHRH-MRXNPFEDSA-N 1 0 411.365 4.064 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153444 568672718 /nfs/dbraw/zinc/67/27/18/568672718.db2.gz PWRMGHUYTDUMMX-CYBMUJFWSA-N 1 0 418.563 4.066 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000021175056 568676994 /nfs/dbraw/zinc/67/69/94/568676994.db2.gz GFFGYRDWAZIHHB-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO COc1ccc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc1 ZINC000012387582 568681706 /nfs/dbraw/zinc/68/17/06/568681706.db2.gz WUPQIHZXSQHRAO-AREMUKBSSA-N 1 0 406.570 4.185 50 0 HIAARO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000096012277 568684492 /nfs/dbraw/zinc/68/44/92/568684492.db2.gz ZLULMOBBBFUFBC-VFNWGFHPSA-N 1 0 416.587 4.406 50 0 HIAARO CCC[NH+]1CCN(C(=O)[C@H](C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000021349373 568687744 /nfs/dbraw/zinc/68/77/44/568687744.db2.gz JGSNHNJGLWDRNC-KRWDZBQOSA-N 1 0 410.949 4.472 50 0 HIAARO C[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227156223 568699877 /nfs/dbraw/zinc/69/98/77/568699877.db2.gz TXXYCCYHVIPQLF-RBSFLKMASA-N 1 0 420.351 4.200 50 0 HIAARO CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000096130074 568701836 /nfs/dbraw/zinc/70/18/36/568701836.db2.gz AZLFHJLWOLEZRK-KAMYIIQDSA-N 1 0 407.514 4.003 50 0 HIAARO Cc1cc(C)n(CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183690 568703142 /nfs/dbraw/zinc/70/31/42/568703142.db2.gz DBZBSHWTWXKLFQ-AREMUKBSSA-N 1 0 416.569 4.051 50 0 HIAARO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000229892755 568715860 /nfs/dbraw/zinc/71/58/60/568715860.db2.gz FFYYNQPIBDUSQY-PBXXJUDPSA-N 1 0 420.553 4.170 50 0 HIAARO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000096281077 568718428 /nfs/dbraw/zinc/71/84/28/568718428.db2.gz CDISEDSQBBZPCK-UHFFFAOYSA-N 1 0 404.551 4.450 50 0 HIAARO OCCCCC[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000247762670 568745573 /nfs/dbraw/zinc/74/55/73/568745573.db2.gz IGTYWNAZLAAOOR-UHFFFAOYSA-N 1 0 402.901 4.038 50 0 HIAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCCCC1 ZINC000247867733 568745899 /nfs/dbraw/zinc/74/58/99/568745899.db2.gz PHJXUZBKCIBVRC-LJQANCHMSA-N 1 0 420.532 4.389 50 0 HIAARO Cc1cnn(Cc2nc(-c3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)oc2C)c1 ZINC000096397244 568745969 /nfs/dbraw/zinc/74/59/69/568745969.db2.gz AAXBEGSQKPJXAZ-UHFFFAOYSA-N 1 0 407.518 4.018 50 0 HIAARO O[C@H](COCc1cccs1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000096682214 568764309 /nfs/dbraw/zinc/76/43/09/568764309.db2.gz MZJDAIBIDRZPFQ-QHCPKHFHSA-N 1 0 422.594 4.033 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3nc(C)no3)cc2)[NH+]2CCCCC2)cc1 ZINC000025339950 568764815 /nfs/dbraw/zinc/76/48/15/568764815.db2.gz ZSVQQPHAHSLEGC-QFIPXVFZSA-N 1 0 420.513 4.011 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3nc(C)no3)cc2)[NH+]2CCCCC2)cc1 ZINC000025339946 568764861 /nfs/dbraw/zinc/76/48/61/568764861.db2.gz ZSVQQPHAHSLEGC-JOCHJYFZSA-N 1 0 420.513 4.011 50 0 HIAARO Cc1ccc([C@H]([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c2ccccc2)cc1 ZINC000057403291 568832527 /nfs/dbraw/zinc/83/25/27/568832527.db2.gz WSNJCYLIYBXHCN-AFMDSPMNSA-N 1 0 413.521 4.438 50 0 HIAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000012599252 568869465 /nfs/dbraw/zinc/86/94/65/568869465.db2.gz XFPPWNCZXDMCNT-INIZCTEOSA-N 1 0 421.472 4.376 50 0 HIAARO Cc1cc2c(C)nc(N3CCC([NH2+][C@H](Cn4ccnc4)C(C)(C)C)CC3)nc2cc1F ZINC000299768045 568873920 /nfs/dbraw/zinc/87/39/20/568873920.db2.gz FHZHQEGZIDHYKP-JOCHJYFZSA-N 1 0 424.568 4.256 50 0 HIAARO O=C([O-])CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC000299769418 568873986 /nfs/dbraw/zinc/87/39/86/568873986.db2.gz NHIPJVMYFKHQJW-UKILVPOCSA-N 1 0 406.570 4.470 50 0 HIAARO COc1ccc(CCN2C(=O)CC[C@@H]3C[N@@H+](Cc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000299790532 568875766 /nfs/dbraw/zinc/87/57/66/568875766.db2.gz CKXBRDCABBYHJK-OFNKIYASSA-N 1 0 412.961 4.404 50 0 HIAARO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1NC(=O)c1ccco1 ZINC000058018746 568876785 /nfs/dbraw/zinc/87/67/85/568876785.db2.gz SQPKLOJJTBKBBH-UHFFFAOYSA-N 1 0 420.513 4.436 50 0 HIAARO Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670437074 568877521 /nfs/dbraw/zinc/87/75/21/568877521.db2.gz VVTRYXCZMJLDRF-HSZRJFAPSA-N 1 0 415.541 4.194 50 0 HIAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[NH+](C)C ZINC000001233995 568882074 /nfs/dbraw/zinc/88/20/74/568882074.db2.gz UJLZWNQHEVGZBY-UHFFFAOYSA-N 1 0 417.303 4.337 50 0 HIAARO COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917933 /nfs/dbraw/zinc/91/79/33/568917933.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 1 0 402.510 4.062 50 0 HIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCC([NH+]2CCCCC2)CC1 ZINC000004086592 568940590 /nfs/dbraw/zinc/94/05/90/568940590.db2.gz TWRBLIVZRCVSOS-AFFJLAOCSA-N 1 0 400.607 4.395 50 0 biogenic HIAARO Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc12)CCCC3 ZINC000004089312 568941450 /nfs/dbraw/zinc/94/14/50/568941450.db2.gz XLXUOJXUPBADJR-UHFFFAOYSA-N 1 0 424.541 4.035 50 0 biogenic HIAARO Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1C ZINC000012756252 568943045 /nfs/dbraw/zinc/94/30/45/568943045.db2.gz CLVGGEUWQXLGOJ-QFIPXVFZSA-N 1 0 403.526 4.282 50 0 HIAARO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c2-n2cccc2)cc1 ZINC000015681280 568967931 /nfs/dbraw/zinc/96/79/31/568967931.db2.gz SFTLGIWBFPMDEQ-UHFFFAOYSA-N 1 0 419.573 4.356 50 0 HIAARO COc1cccc(NC(=O)c2cnn(-c3c(C)cccc3C)c2C2CC[NH2+]CC2)c1 ZINC000015727070 568978318 /nfs/dbraw/zinc/97/83/18/568978318.db2.gz NELAYLOUFNNAIW-UHFFFAOYSA-N 1 0 404.514 4.217 50 0 HIAARO O=C(Nc1ccc(F)cc1F)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015726984 568978331 /nfs/dbraw/zinc/97/83/31/568978331.db2.gz WMECXKZWRWHSCY-UHFFFAOYSA-N 1 0 400.404 4.009 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)o1)c1noc2c1CCc1sccc1-2 ZINC000015733308 568983022 /nfs/dbraw/zinc/98/30/22/568983022.db2.gz DZMABGBPQSJZOE-UHFFFAOYSA-N 1 0 411.527 4.401 50 0 HIAARO O=C(Nc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1)c1ccco1 ZINC000008314870 568989850 /nfs/dbraw/zinc/98/98/50/568989850.db2.gz NDWCNDJQTBJKDV-UHFFFAOYSA-N 1 0 409.530 4.451 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(OCc2cscn2)cc1 ZINC000008342077 568993603 /nfs/dbraw/zinc/99/36/03/568993603.db2.gz SEQADLKSTCLVAJ-UHFFFAOYSA-N 1 0 407.539 4.248 50 0 HIAARO Cc1ncc(C[NH+]2CCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085876610 569009622 /nfs/dbraw/zinc/00/96/22/569009622.db2.gz MXWXWCPPOPEUPD-UHFFFAOYSA-N 1 0 404.422 4.234 50 0 HIAARO CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000012859938 569011534 /nfs/dbraw/zinc/01/15/34/569011534.db2.gz IQBOCSPNFSEFAP-AWEZNQCLSA-N 1 0 409.313 4.484 50 0 HIAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012879078 569014087 /nfs/dbraw/zinc/01/40/87/569014087.db2.gz ONWFXIKSZHVSJA-JKSUJKDBSA-N 1 0 415.921 4.026 50 0 HIAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000016044488 569028254 /nfs/dbraw/zinc/02/82/54/569028254.db2.gz NJKHRSJAFYFJLP-QZTJIDSGSA-N 1 0 412.555 4.314 50 0 HIAARO CC(C)[NH2+]CCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c1ncnc2N ZINC000205190499 569029755 /nfs/dbraw/zinc/02/97/55/569029755.db2.gz JYSLFQTWNRYWJT-UHFFFAOYSA-N 1 0 411.362 4.255 50 0 in-vitro HIAARO COc1ccc(-c2nnc(-c3cccnc3N3CCC([NH+]4CCCCC4)CC3)o2)cc1 ZINC000035461640 569038031 /nfs/dbraw/zinc/03/80/31/569038031.db2.gz INMYRDDGXYTIMW-UHFFFAOYSA-N 1 0 419.529 4.262 50 0 HIAARO c1ccc(-c2nc3nc4c(c(N5CC[NH+](C6CCCCC6)CC5)n3n2)CCCC4)cc1 ZINC000035508907 569041066 /nfs/dbraw/zinc/04/10/66/569041066.db2.gz OHKJTUVSDCBSAV-UHFFFAOYSA-N 1 0 416.573 4.125 50 0 HIAARO C[N@H+](CCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)C1CCCCC1 ZINC000035560095 569044906 /nfs/dbraw/zinc/04/49/06/569044906.db2.gz ARHAYUQTCYSUQQ-UHFFFAOYSA-N 1 0 408.521 4.218 50 0 HIAARO O=C(CN[C@H](c1cccs1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012980726 569046359 /nfs/dbraw/zinc/04/63/59/569046359.db2.gz GYLAMDLZXUIPRA-VWLOTQADSA-N 1 0 419.594 4.208 50 0 HIAARO O=C(NCCC[NH+]1CCCCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000013007547 569049798 /nfs/dbraw/zinc/04/97/98/569049798.db2.gz LNLVBUKFSRVBCH-UHFFFAOYSA-N 1 0 402.542 4.204 50 0 HIAARO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000089420073 569060128 /nfs/dbraw/zinc/06/01/28/569060128.db2.gz FFYYNQPIBDUSQY-QFZRFWILSA-N 1 0 420.553 4.170 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2oc3ccc(OC)cc3c2C)cc1 ZINC000006590599 569068471 /nfs/dbraw/zinc/06/84/71/569068471.db2.gz KMLPWCJTUFGFKU-UHFFFAOYSA-N 1 0 423.513 4.074 50 0 HIAARO COc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054377971 569073448 /nfs/dbraw/zinc/07/34/48/569073448.db2.gz XYLKOSZJZBDLKR-MRXNPFEDSA-N 1 0 401.938 4.373 50 0 HIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1 ZINC000036031957 569081085 /nfs/dbraw/zinc/08/10/85/569081085.db2.gz SMJFJQIWZAJRBF-JOCHJYFZSA-N 1 0 423.509 4.205 50 0 HIAARO Cc1cc2oc(=O)c(CC(=O)NCCC[NH+](C)C)c(C)c2c2occ(C(C)(C)C)c21 ZINC000006660425 569083121 /nfs/dbraw/zinc/08/31/21/569083121.db2.gz PFBMOEVTKCJYLV-UHFFFAOYSA-N 1 0 412.530 4.064 50 0 HIAARO Cc1cccc(OCc2nc(CN(CC[NH+](C)C)C(=O)CC(C)C)cs2)c1C ZINC000036114299 569093894 /nfs/dbraw/zinc/09/38/94/569093894.db2.gz XEYPUHRMCONQTI-UHFFFAOYSA-N 1 0 403.592 4.275 50 0 HIAARO Cc1sc2nc(C[N@H+](CCC(C)C)C[C@H](O)Cc3ccccc3)[nH]c(=O)c2c1C ZINC000036204766 569109729 /nfs/dbraw/zinc/10/97/29/569109729.db2.gz TXYSVEROIFWJCH-LJQANCHMSA-N 1 0 413.587 4.053 50 0 HIAARO Cc1nnc2c(NCCC[NH+]3CCC(Cc4ccccc4)CC3)nc3ccccc3n12 ZINC000006781802 569120463 /nfs/dbraw/zinc/12/04/63/569120463.db2.gz SYEQDJYSMDJBNC-UHFFFAOYSA-N 1 0 414.557 4.343 50 0 HIAARO Cc1ccc2[nH]c3c(ncn(CC[NH+]4CCC(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000006809318 569132875 /nfs/dbraw/zinc/13/28/75/569132875.db2.gz VGPUSPKDCCQTHI-UHFFFAOYSA-N 1 0 400.526 4.141 50 0 HIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)C1 ZINC000064968472 569138000 /nfs/dbraw/zinc/13/80/00/569138000.db2.gz RMSNLPMIUVCZCG-KRWDZBQOSA-N 1 0 409.505 4.410 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3ccccc3F)C2)c1 ZINC000036341521 569141978 /nfs/dbraw/zinc/14/19/78/569141978.db2.gz FBNLNXKWUIVBNV-HXOBKFHXSA-N 1 0 409.505 4.386 50 0 HIAARO COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036341365 569142025 /nfs/dbraw/zinc/14/20/25/569142025.db2.gz SYOKZGQAOZUPEP-QFIPXVFZSA-N 1 0 409.505 4.244 50 0 HIAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000036344829 569142854 /nfs/dbraw/zinc/14/28/54/569142854.db2.gz NJWWOBBSJBUUQH-JOCHJYFZSA-N 1 0 409.505 4.244 50 0 HIAARO COc1ccc(OC)c(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000006877387 569164199 /nfs/dbraw/zinc/16/41/99/569164199.db2.gz WFLHNEZRPVAMFL-GOSISDBHSA-N 1 0 409.530 4.006 50 0 HIAARO COc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCC(C)CC4)nc3)n2)cc1 ZINC000065097867 569176655 /nfs/dbraw/zinc/17/66/55/569176655.db2.gz UNNFXSRKCMLMLH-UHFFFAOYSA-N 1 0 407.518 4.341 50 0 HIAARO COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)cc1 ZINC000065255060 569207636 /nfs/dbraw/zinc/20/76/36/569207636.db2.gz XPTADQDWHLXXMT-UHFFFAOYSA-N 1 0 403.486 4.248 50 0 HIAARO O=C(Nc1ccc(F)cc1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)nc1 ZINC000065257010 569208531 /nfs/dbraw/zinc/20/85/31/569208531.db2.gz CADYKTHMTSGWRW-NRFANRHFSA-N 1 0 424.907 4.495 50 0 HIAARO CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036613596 569209284 /nfs/dbraw/zinc/20/92/84/569209284.db2.gz PQALVYFCEBIBTP-IHWFROFDSA-N 1 0 417.557 4.090 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000007105846 569220198 /nfs/dbraw/zinc/22/01/98/569220198.db2.gz VYTYUPNVZTWRQF-UHFFFAOYSA-N 1 0 415.537 4.047 50 0 HIAARO C[C@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1)c1ccccc1 ZINC000065551483 569234979 /nfs/dbraw/zinc/23/49/79/569234979.db2.gz HUHDDNBMZOUJIA-GHTZIAJQSA-N 1 0 405.498 4.382 50 0 HIAARO Cc1cccc2nc(C[NH2+]C3(c4cccc(Br)c4)CCOCC3)cn21 ZINC000065604490 569237207 /nfs/dbraw/zinc/23/72/07/569237207.db2.gz PXYNFODNISBLCB-UHFFFAOYSA-N 1 0 400.320 4.201 50 0 HIAARO COc1ccc([C@@H]([NH2+]CCCn2cccn2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606808 569244771 /nfs/dbraw/zinc/24/47/71/569244771.db2.gz QOUREQAGFOXTLT-NHCUHLMSSA-N 1 0 414.550 4.012 50 0 HIAARO Cc1ccc(CCC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000089632220 569261443 /nfs/dbraw/zinc/26/14/43/569261443.db2.gz MDCQVXAQPJGPDK-UHFFFAOYSA-N 1 0 400.950 4.241 50 0 HIAARO Cc1cccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037361312 569283548 /nfs/dbraw/zinc/28/35/48/569283548.db2.gz UYYRKUCWAFZVAL-UHFFFAOYSA-N 1 0 407.566 4.037 50 0 HIAARO CC(C)c1nc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)nn1-c1c(Cl)cccc1Cl ZINC000170677259 569297918 /nfs/dbraw/zinc/29/79/18/569297918.db2.gz DDOAGPMNYXIMRO-OAHLLOKOSA-N 1 0 412.365 4.143 50 0 HIAARO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)c(F)c1 ZINC000065938432 569304306 /nfs/dbraw/zinc/30/43/06/569304306.db2.gz BAANTSQYBQDITJ-UHFFFAOYSA-N 1 0 415.253 4.070 50 0 HIAARO C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(Cl)cc1 ZINC000002715989 569322435 /nfs/dbraw/zinc/32/24/35/569322435.db2.gz JQBQVKLVVRVOPB-UHFFFAOYSA-N 1 0 415.921 4.174 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002408905 569396481 /nfs/dbraw/zinc/39/64/81/569396481.db2.gz CRKJBAKUSFQXCY-NRFANRHFSA-N 1 0 408.473 4.209 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002417981 569397541 /nfs/dbraw/zinc/39/75/41/569397541.db2.gz FSKHFWVVYGHPCA-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000002432771 569399379 /nfs/dbraw/zinc/39/93/79/569399379.db2.gz GREDFSFXEAWWRX-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012431041 569401362 /nfs/dbraw/zinc/40/13/62/569401362.db2.gz OBXAQYFZXPBRKV-QFIPXVFZSA-N 1 0 420.553 4.017 50 0 HIAARO NC(=[NH2+])Sc1cn(CCNC(=O)c2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002455124 569409634 /nfs/dbraw/zinc/40/96/34/569409634.db2.gz UMLBRNCTYWOVON-UHFFFAOYSA-N 1 0 407.326 4.364 50 0 HIAARO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)C1 ZINC000078950485 569422035 /nfs/dbraw/zinc/42/20/35/569422035.db2.gz IUUFGAXJEPFSBV-GOSISDBHSA-N 1 0 400.592 4.029 50 0 HIAARO CCO[C@H]1C[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C12CCCCC2 ZINC000078954293 569422049 /nfs/dbraw/zinc/42/20/49/569422049.db2.gz JREPFTXWLVOGFN-YADHBBJMSA-N 1 0 414.594 4.078 50 0 HIAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SC[C@H]1CCCOC1)C(C)C ZINC000079109735 569428020 /nfs/dbraw/zinc/42/80/20/569428020.db2.gz IKOWDDBINQMWIN-SFHVURJKSA-N 1 0 403.592 4.034 50 0 HIAARO Nc1c(-c2ccccc2)c(CN2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1 ZINC000039143310 571114069 /nfs/dbraw/zinc/11/40/69/571114069.db2.gz DXGKMCJOHCFIKL-UHFFFAOYSA-N 1 0 423.564 4.439 50 0 HIAARO C[C@H]1C[NH+](C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C[C@H](C)O1 ZINC000040135262 571188338 /nfs/dbraw/zinc/18/83/38/571188338.db2.gz YOLYATPFCWUWJN-IRXDYDNUSA-N 1 0 408.571 4.436 50 0 HIAARO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000040156941 571203677 /nfs/dbraw/zinc/20/36/77/571203677.db2.gz YFEPZFCGTISYNO-INIZCTEOSA-N 1 0 411.575 4.345 50 0 HIAARO O=C(CCc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245130821 571214958 /nfs/dbraw/zinc/21/49/58/571214958.db2.gz UZGNNVUBTUGUAS-UHFFFAOYSA-N 1 0 414.537 4.362 50 0 HIAARO CCOC(=O)c1cc2cc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccc2s1 ZINC000069582795 571231947 /nfs/dbraw/zinc/23/19/47/571231947.db2.gz XIHGZMJUBLZGNP-QGZVFWFLSA-N 1 0 401.532 4.170 50 0 HIAARO COc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000009227282 571239208 /nfs/dbraw/zinc/23/92/08/571239208.db2.gz CEXBJXMVBBSBBM-UHFFFAOYSA-N 1 0 410.905 4.254 50 0 HIAARO CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CC[NH2+]CC2)c1 ZINC000009728047 571282673 /nfs/dbraw/zinc/28/26/73/571282673.db2.gz MLOGOMGCNHNSON-UHFFFAOYSA-N 1 0 416.525 4.411 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(OC(F)F)c1 ZINC000014651429 571307540 /nfs/dbraw/zinc/30/75/40/571307540.db2.gz WCOIJAPITGQPNP-UHFFFAOYSA-N 1 0 402.445 4.232 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc4ncccc34)CC2)O1)c1ccccc1 ZINC000011910533 845840320 /nfs/dbraw/zinc/84/03/20/845840320.db2.gz DHJHFOUDVIREPW-QFIPXVFZSA-N 1 0 415.537 4.178 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccn1 ZINC000011999227 845846425 /nfs/dbraw/zinc/84/64/25/845846425.db2.gz NTOWDZWOFNYFHW-SFHVURJKSA-N 1 0 405.464 4.127 50 0 HIAARO CC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000012091853 845852970 /nfs/dbraw/zinc/85/29/70/845852970.db2.gz GLHGJFJZZXYWJW-SANMLTNESA-N 1 0 404.554 4.450 50 0 HIAARO Cc1nccn1CC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012317219 845866914 /nfs/dbraw/zinc/86/69/14/845866914.db2.gz YJAFTRMZCSLCQR-UHFFFAOYSA-N 1 0 422.617 4.226 50 0 HIAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012586335 845877375 /nfs/dbraw/zinc/87/73/75/845877375.db2.gz PYGLRWYZQFYKCV-HSZRJFAPSA-N 1 0 400.632 4.465 50 0 HIAARO Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCC[N@H+](CC4CCCCC4)C3)cc2)n1 ZINC000012711635 845885065 /nfs/dbraw/zinc/88/50/65/845885065.db2.gz XDKNOEJLIPFNQE-XMMPIXPASA-N 1 0 408.590 4.323 50 0 HIAARO COc1cc2nc(N(C)C)c(C[NH2+]C[C@@H](C)c3ccccc3)cc2c(OC)c1OC ZINC000014883150 845989479 /nfs/dbraw/zinc/98/94/79/845989479.db2.gz XUEAYYUBGWWUIL-MRXNPFEDSA-N 1 0 409.530 4.220 50 0 HIAARO COc1ccc([C@@H](CNC(=O)/C=C/c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000014934869 845993293 /nfs/dbraw/zinc/99/32/93/845993293.db2.gz RJHOJJMRZQFZEO-ALFZTAOFSA-N 1 0 404.510 4.289 50 0 HIAARO COc1ccc([C@H](CNC(=O)/C=C/c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000014934871 845993721 /nfs/dbraw/zinc/99/37/21/845993721.db2.gz RJHOJJMRZQFZEO-YVTXKPHZSA-N 1 0 404.510 4.289 50 0 HIAARO COc1ccc(OC)c(C[NH2+][C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)CC2)c1 ZINC000014986975 845996961 /nfs/dbraw/zinc/99/69/61/845996961.db2.gz KHMJTHHPUOUAIC-FQEVSTJZSA-N 1 0 420.557 4.413 50 0 HIAARO Cc1ncsc1CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015068455 846005551 /nfs/dbraw/zinc/00/55/51/846005551.db2.gz UAIKHEJNMFTWJR-OAQYLSRUSA-N 1 0 419.635 4.046 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1Cl ZINC000018015883 846284593 /nfs/dbraw/zinc/28/45/93/846284593.db2.gz BSPFTCUEPBCHFR-GOSISDBHSA-N 1 0 417.962 4.197 50 0 HIAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cnc(-c4ccccc4C)nc3)C2)c1 ZINC000020514139 846384463 /nfs/dbraw/zinc/38/44/63/846384463.db2.gz DEQSNKXZZMZHKK-JOCHJYFZSA-N 1 0 402.542 4.215 50 0 HIAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)c2ccccc2n3CC)CN1CC(C)C ZINC000023159234 846665976 /nfs/dbraw/zinc/66/59/76/846665976.db2.gz FCNJSQMHCWHVRY-NLFFAJNJSA-N 1 0 420.601 4.139 50 0 HIAARO COc1ccccc1/C=C/C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000023281886 846680052 /nfs/dbraw/zinc/68/00/52/846680052.db2.gz JKMYZNUEWIPLHE-GQCTYLIASA-N 1 0 402.332 4.455 50 0 HIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000048884216 849277610 /nfs/dbraw/zinc/27/76/10/849277610.db2.gz OHANJVMGLZMFRM-ROUUACIJSA-N 1 0 412.578 4.094 50 0 HIAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3cc4ccccc4s3)CC2)c1 ZINC000055270910 849994157 /nfs/dbraw/zinc/99/41/57/849994157.db2.gz BLQKMGLWXHZXKO-UHFFFAOYSA-N 1 0 424.566 4.321 50 0 HIAARO Cc1ccn(CC(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)n1 ZINC000077387077 852511723 /nfs/dbraw/zinc/51/17/23/852511723.db2.gz WVLPIZQDCAAXSP-UHFFFAOYSA-N 1 0 422.617 4.226 50 0 HIAARO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776640 853661896 /nfs/dbraw/zinc/66/18/96/853661896.db2.gz JMTCRKFCBVHAHF-VWLOTQADSA-N 1 0 418.581 4.434 50 0 HIAARO CN1CCCCC[C@@H](O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000257182087 854232551 /nfs/dbraw/zinc/23/25/51/854232551.db2.gz ONPZJGOQOLSWIP-RUZDIDTESA-N 1 0 421.585 4.125 50 0 HIAARO O=C1C[C@H](c2ccccc2)[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCCCCN1 ZINC000257186798 854233612 /nfs/dbraw/zinc/23/36/12/854233612.db2.gz ZUICUSYBZCQVPM-JOCHJYFZSA-N 1 0 406.505 4.449 50 0 HIAARO CCCCS(=O)(=O)N1CCC2(CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000257197319 854235658 /nfs/dbraw/zinc/23/56/58/854235658.db2.gz ZVMDKTZMYTUMTJ-UHFFFAOYSA-N 1 0 404.620 4.199 50 0 HIAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C/C(C)=C/c2ccccc2)CN1Cc1ccccc1 ZINC000299779675 854282142 /nfs/dbraw/zinc/28/21/42/854282142.db2.gz UZAJQQRVZQOZBP-PVFUEAGLSA-N 1 0 405.586 4.191 50 0 HIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000001116258 132237802 /nfs/dbraw/zinc/23/78/02/132237802.db2.gz CPDQMHWCVLERNY-CQSZACIVSA-N 1 0 408.329 4.151 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc3ccccc3c2)CC1 ZINC000006123992 132309243 /nfs/dbraw/zinc/30/92/43/132309243.db2.gz ZQHVLVKZCMUFML-UHFFFAOYSA-N 1 0 409.917 4.263 50 0 HIAARO O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000012038941 132353168 /nfs/dbraw/zinc/35/31/68/132353168.db2.gz YHLVKVFWDXRYEC-UHFFFAOYSA-N 1 0 421.516 4.150 50 0 HIAARO Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)o2)cc1 ZINC000012528014 132361924 /nfs/dbraw/zinc/36/19/24/132361924.db2.gz XRXXVMSEMLYRII-UHFFFAOYSA-N 1 0 419.525 4.480 50 0 HIAARO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCc1cccc(Cl)c1 ZINC000040741701 520714647 /nfs/dbraw/zinc/71/46/47/520714647.db2.gz BWHDLJUAFGUXFF-UHFFFAOYSA-N 1 0 414.727 4.162 50 0 HIAARO CCOc1cc(C[NH2+]CCOCCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040737640 520716666 /nfs/dbraw/zinc/71/66/66/520716666.db2.gz ZOODBGJHUKWLGU-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COCC(C)C ZINC000036246072 521679395 /nfs/dbraw/zinc/67/93/95/521679395.db2.gz BOBRIFFJDGOPAV-NRFANRHFSA-N 1 0 417.594 4.433 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040733244 522228254 /nfs/dbraw/zinc/22/82/54/522228254.db2.gz LQAFUIQCUDKECM-QGZVFWFLSA-N 1 0 408.336 4.206 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040733241 522573451 /nfs/dbraw/zinc/57/34/51/522573451.db2.gz LQAFUIQCUDKECM-KRWDZBQOSA-N 1 0 408.336 4.206 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000072418226 523229699 /nfs/dbraw/zinc/22/96/99/523229699.db2.gz GYUIGPQJRKAZAK-OAQYLSRUSA-N 1 0 405.542 4.363 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)C[C@H]1Oc2ccccc2NC1=O)C1CCCCC1 ZINC000032900666 523375819 /nfs/dbraw/zinc/37/58/19/523375819.db2.gz STVRTFJWAYRCGF-JOCHJYFZSA-N 1 0 407.514 4.179 50 0 HIAARO COCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040733581 523377168 /nfs/dbraw/zinc/37/71/68/523377168.db2.gz NWYHGFCOUVUMTD-UHFFFAOYSA-N 1 0 408.336 4.471 50 0 HIAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040734698 524073187 /nfs/dbraw/zinc/07/31/87/524073187.db2.gz UCSSQHYNEDSALE-UHFFFAOYSA-N 1 0 420.509 4.320 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000040736277 525071034 /nfs/dbraw/zinc/07/10/34/525071034.db2.gz BJGIXAQKEGPJIN-OAQYLSRUSA-N 1 0 404.510 4.434 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2cccc(C(F)(F)F)c2)[NH+]2CCCC2)cc1 ZINC000032960849 525357021 /nfs/dbraw/zinc/35/70/21/525357021.db2.gz XMCXIDPIQSHZLL-FQEVSTJZSA-N 1 0 422.447 4.046 50 0 HIAARO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040149111 525525641 /nfs/dbraw/zinc/52/56/41/525525641.db2.gz VXEYUMCTHHHODN-QGZVFWFLSA-N 1 0 420.376 4.193 50 0 HIAARO Cc1ccc(-c2csc3c2nc(N2CC[NH+](C4CCCCC4)CC2)[nH]c3=O)cc1 ZINC000044167973 525784231 /nfs/dbraw/zinc/78/42/31/525784231.db2.gz SZTBOYGEOJZOKI-UHFFFAOYSA-N 1 0 408.571 4.415 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000032931234 526912562 /nfs/dbraw/zinc/91/25/62/526912562.db2.gz LQEVHGWLYXWWET-INIZCTEOSA-N 1 0 403.617 4.233 50 0 HIAARO Cc1ncc(C[NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)s1 ZINC000020539025 527254216 /nfs/dbraw/zinc/25/42/16/527254216.db2.gz XEHMEQNVMFSBLK-UHFFFAOYSA-N 1 0 409.559 4.056 50 0 HIAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000002734442 557373653 /nfs/dbraw/zinc/37/36/53/557373653.db2.gz VCSLCFNVGCORAF-LJQANCHMSA-N 1 0 401.348 4.320 50 0 HIAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000034684964 557388302 /nfs/dbraw/zinc/38/83/02/557388302.db2.gz UYYBXOCXRZOADU-UHFFFAOYSA-N 1 0 416.521 4.332 50 0 HIAARO O=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711117 557390395 /nfs/dbraw/zinc/39/03/95/557390395.db2.gz TYWRGVINWJOEPF-PMACEKPBSA-N 1 0 410.464 4.480 50 0 HIAARO CCc1ccc([C@H]2CCc3nc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cn3C2)cc1 ZINC000034899376 557480986 /nfs/dbraw/zinc/48/09/86/557480986.db2.gz QTBRRCUHDBOEQI-UGKGYDQZSA-N 1 0 410.606 4.416 50 0 HIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004657451 557576886 /nfs/dbraw/zinc/57/68/86/557576886.db2.gz XGHDTURFPLBVDB-HNNXBMFYSA-N 1 0 404.938 4.493 50 0 HIAARO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000004670844 557579353 /nfs/dbraw/zinc/57/93/53/557579353.db2.gz BBWAIRYNJKNJHD-UHFFFAOYSA-N 1 0 421.335 4.221 50 0 HIAARO CC[NH+](CC)CCn1c2c(c(=S)nc1-c1ccc(OC)cc1)COC(C)(C)C2 ZINC000005066801 557633786 /nfs/dbraw/zinc/63/37/86/557633786.db2.gz ACVIQCPZKZKQFQ-UHFFFAOYSA-N 1 0 401.576 4.481 50 0 HIAARO c1csc(COc2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)cc2)c1 ZINC000009249995 557832653 /nfs/dbraw/zinc/83/26/53/557832653.db2.gz CQRPYYLGCCLURD-UHFFFAOYSA-N 1 0 423.567 4.185 50 0 HIAARO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1 ZINC000010474456 558258034 /nfs/dbraw/zinc/25/80/34/558258034.db2.gz LEYNOHJYLOXCNZ-GOSISDBHSA-N 1 0 406.320 4.305 50 0 HIAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4F)C3)c2)n1 ZINC000011662313 558266116 /nfs/dbraw/zinc/26/61/16/558266116.db2.gz XLZAPNQYJWIMQQ-VWLOTQADSA-N 1 0 407.533 4.445 50 0 HIAARO O=C(C1=CCCCC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011708457 558271160 /nfs/dbraw/zinc/27/11/60/558271160.db2.gz ZQKFXYOMFQZKOM-AREMUKBSSA-N 1 0 422.613 4.374 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cnn(-c3ccccc3Cl)c2)CC1)N1CCCC1 ZINC000011771587 558274550 /nfs/dbraw/zinc/27/45/50/558274550.db2.gz KIHQRCHNDSQMQB-UHFFFAOYSA-N 1 0 400.954 4.140 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000011815288 558279211 /nfs/dbraw/zinc/27/92/11/558279211.db2.gz SBPWWRPJPSACHJ-IBGZPJMESA-N 1 0 415.965 4.160 50 0 HIAARO Clc1ccccc1-n1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cn1 ZINC000011820956 558284326 /nfs/dbraw/zinc/28/43/26/558284326.db2.gz YTIBVYYRPSFLSA-IBGZPJMESA-N 1 0 404.905 4.274 50 0 HIAARO Clc1ccccc1-n1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 ZINC000011820955 558284334 /nfs/dbraw/zinc/28/43/34/558284334.db2.gz YTIBVYYRPSFLSA-LJQANCHMSA-N 1 0 404.905 4.274 50 0 HIAARO CN(Cc1ccccc1OCCO)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843126 558288315 /nfs/dbraw/zinc/28/83/15/558288315.db2.gz MSZGFHZFGMOLRF-OAQYLSRUSA-N 1 0 416.993 4.098 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2F)C1 ZINC000011882437 558295573 /nfs/dbraw/zinc/29/55/73/558295573.db2.gz IQUOFMUJAHJAHA-CSPIVVFSSA-N 1 0 422.544 4.403 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000011910880 558296584 /nfs/dbraw/zinc/29/65/84/558296584.db2.gz ASWXNNSKIUANBN-LJQANCHMSA-N 1 0 406.448 4.385 50 0 HIAARO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000019922659 558307443 /nfs/dbraw/zinc/30/74/43/558307443.db2.gz SFXQIMJLXFMXMA-UHFFFAOYSA-N 1 0 418.965 4.365 50 0 HIAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCc1ccccc1F ZINC000011998054 558307425 /nfs/dbraw/zinc/30/74/25/558307425.db2.gz VJIQGOCNVZPEKW-UHFFFAOYSA-N 1 0 406.501 4.292 50 0 HIAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000012029090 558310603 /nfs/dbraw/zinc/31/06/03/558310603.db2.gz PIVIQIROFKKRGW-HSZRJFAPSA-N 1 0 413.924 4.482 50 0 HIAARO O=C(C[C@@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000012052467 558314613 /nfs/dbraw/zinc/31/46/13/558314613.db2.gz RKOVGWLQYYSRLO-DEOSSOPVSA-N 1 0 408.542 4.097 50 0 HIAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012072402 558317779 /nfs/dbraw/zinc/31/77/79/558317779.db2.gz XQXBNTOIWMAGEI-QHCPKHFHSA-N 1 0 419.949 4.183 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(C)s3)C2)c(OC)c1 ZINC000012075819 558319645 /nfs/dbraw/zinc/31/96/45/558319645.db2.gz SOJOPWMDDILMFU-SFHVURJKSA-N 1 0 416.587 4.382 50 0 HIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012094283 558325028 /nfs/dbraw/zinc/32/50/28/558325028.db2.gz DCVMZPXGAFINKE-IBGZPJMESA-N 1 0 400.482 4.469 50 0 HIAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1 ZINC000012126578 558331340 /nfs/dbraw/zinc/33/13/40/558331340.db2.gz GIYLTOOZMOUNFM-IBGZPJMESA-N 1 0 402.922 4.250 50 0 HIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000020153984 558341844 /nfs/dbraw/zinc/34/18/44/558341844.db2.gz QBVVWCRMECNOOR-UHFFFAOYSA-N 1 0 417.351 4.231 50 0 HIAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000020208967 558347141 /nfs/dbraw/zinc/34/71/41/558347141.db2.gz GDYJVISPPYIQLT-OAQYLSRUSA-N 1 0 404.514 4.032 50 0 HIAARO O=C(c1ccccc1OC1CC[NH+](C2Cc3ccccc3C2)CC1)N1CCCCC1 ZINC000012208350 558353321 /nfs/dbraw/zinc/35/33/21/558353321.db2.gz CLCWLHWLKHOIIA-UHFFFAOYSA-N 1 0 404.554 4.323 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn21 ZINC000020377155 558358746 /nfs/dbraw/zinc/35/87/46/558358746.db2.gz AVZFAPFELNJTEJ-QGZVFWFLSA-N 1 0 401.518 4.016 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1ccc(C(F)(F)F)cc1F ZINC000012279050 558364956 /nfs/dbraw/zinc/36/49/56/558364956.db2.gz DJRPIDXHDYJXJH-SFHVURJKSA-N 1 0 424.438 4.394 50 0 HIAARO CC(C)CCN(C)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000012303935 558373409 /nfs/dbraw/zinc/37/34/09/558373409.db2.gz ARZFVSNHGQDFRN-UHFFFAOYSA-N 1 0 412.578 4.013 50 0 HIAARO OC[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012386484 558395355 /nfs/dbraw/zinc/39/53/55/558395355.db2.gz BRWACGBABGOOBO-DEOSSOPVSA-N 1 0 409.505 4.055 50 0 HIAARO COc1ccccc1CC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012431599 558406169 /nfs/dbraw/zinc/40/61/69/558406169.db2.gz FFXZOGCPAXIEFJ-UHFFFAOYSA-N 1 0 421.585 4.316 50 0 HIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012431992 558406391 /nfs/dbraw/zinc/40/63/91/558406391.db2.gz KAXIUTMZWWDODL-GOSISDBHSA-N 1 0 407.432 4.171 50 0 HIAARO O=C(C1CCCC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012433161 558407261 /nfs/dbraw/zinc/40/72/61/558407261.db2.gz TXPVTCGLCGWXOW-RUZDIDTESA-N 1 0 410.602 4.064 50 0 HIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+]([C@H](C)Cc2cc(C)ccn2)CC1 ZINC000012440347 558411444 /nfs/dbraw/zinc/41/14/44/558411444.db2.gz WXLWHVGSVLGJNR-HXUWFJFHSA-N 1 0 410.558 4.218 50 0 HIAARO Cc1cc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)[nH]n1 ZINC000012445629 558413692 /nfs/dbraw/zinc/41/36/92/558413692.db2.gz YBKIGVRQEINZHJ-UHFFFAOYSA-N 1 0 408.590 4.366 50 0 HIAARO c1cncc([C@H]2CCCC[N@H+]2CCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000020841374 558417298 /nfs/dbraw/zinc/41/72/98/558417298.db2.gz NRESCKSPZJRFBF-GOSISDBHSA-N 1 0 418.570 4.383 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000012462573 558419362 /nfs/dbraw/zinc/41/93/62/558419362.db2.gz WPRFCXGUCIRKHE-KNQAVFIVSA-N 1 0 418.566 4.173 50 0 HIAARO CCCOc1c(Br)cc(Br)cc1CNCCC[NH+](C)C ZINC000020967903 558425200 /nfs/dbraw/zinc/42/52/00/558425200.db2.gz XSDNEUKMYCKZJQ-UHFFFAOYSA-N 1 0 408.178 4.042 50 0 HIAARO CC(C)c1nc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cs1 ZINC000012572546 558429728 /nfs/dbraw/zinc/42/97/28/558429728.db2.gz MGADDQLAJALKOO-KRWDZBQOSA-N 1 0 403.567 4.432 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C1)c1cccs1 ZINC000012595362 558437399 /nfs/dbraw/zinc/43/73/99/558437399.db2.gz WJVCRWDGXYHXFQ-INIZCTEOSA-N 1 0 414.962 4.229 50 0 HIAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCC3CCOCC3)cc2Cl)CC1 ZINC000012612347 558438741 /nfs/dbraw/zinc/43/87/41/558438741.db2.gz MUTOSEUORHDXGM-UHFFFAOYSA-N 1 0 422.997 4.386 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@@H]2COCCO2)c(C)s1 ZINC000012707535 558450528 /nfs/dbraw/zinc/45/05/28/558450528.db2.gz BDMJOOVFSWMMOK-GOSISDBHSA-N 1 0 415.534 4.204 50 0 HIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3nc4ccccc4s3)nc2c1 ZINC000004359355 558451356 /nfs/dbraw/zinc/45/13/56/558451356.db2.gz LBHKAWCZQONXMK-UHFFFAOYSA-N 1 0 412.540 4.123 50 0 HIAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012712481 558453247 /nfs/dbraw/zinc/45/32/47/558453247.db2.gz MHUJYIJVELJSLS-QHCPKHFHSA-N 1 0 423.576 4.162 50 0 HIAARO CCOc1ccc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc1 ZINC000012714669 558454620 /nfs/dbraw/zinc/45/46/20/558454620.db2.gz VVQDWPYHHYHRPW-UHFFFAOYSA-N 1 0 418.541 4.300 50 0 HIAARO Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012716769 558455639 /nfs/dbraw/zinc/45/56/39/558455639.db2.gz DSKMUGSIZQHJJH-QFIPXVFZSA-N 1 0 415.537 4.354 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1cccc(F)c1 ZINC000012836288 558478210 /nfs/dbraw/zinc/47/82/10/558478210.db2.gz JUXKVIWXZGDEPB-UHFFFAOYSA-N 1 0 420.488 4.047 50 0 HIAARO CCOC(=O)c1nc(NC[C@H](c2ccccc2Cl)[NH+](CC)CC)ncc1Cl ZINC000012974297 558490354 /nfs/dbraw/zinc/49/03/54/558490354.db2.gz OZXFMNCTOCIUEB-MRXNPFEDSA-N 1 0 411.333 4.455 50 0 HIAARO CCOc1ccccc1-c1nc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000023076374 558533159 /nfs/dbraw/zinc/53/31/59/558533159.db2.gz HSEGYZMMIDVLQO-LJQANCHMSA-N 1 0 421.566 4.142 50 0 HIAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000023144516 558538154 /nfs/dbraw/zinc/53/81/54/558538154.db2.gz JVLZDTIQEXJJHJ-MRXNPFEDSA-N 1 0 402.454 4.326 50 0 HIAARO Clc1ccc(CC[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 ZINC000013717769 558580330 /nfs/dbraw/zinc/58/03/30/558580330.db2.gz AHDZRJFKSTZQGN-UHFFFAOYSA-N 1 0 405.889 4.440 50 0 HIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000023883263 558580364 /nfs/dbraw/zinc/58/03/64/558580364.db2.gz BUIFRLFLWHYRGC-OAHLLOKOSA-N 1 0 403.935 4.491 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013727439 558585009 /nfs/dbraw/zinc/58/50/09/558585009.db2.gz ZUEJZOASVHNGSE-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729595 558585827 /nfs/dbraw/zinc/58/58/27/558585827.db2.gz MTVFOVQOCIHFDS-UHFFFAOYSA-N 1 0 415.497 4.186 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1Cl ZINC000024777823 558612708 /nfs/dbraw/zinc/61/27/08/558612708.db2.gz JWRIYRMWRXWQAV-KRWDZBQOSA-N 1 0 416.909 4.115 50 0 HIAARO Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c12 ZINC000014200674 558636324 /nfs/dbraw/zinc/63/63/24/558636324.db2.gz GHGDJNVUMBBXDF-UHFFFAOYSA-N 1 0 404.514 4.325 50 0 HIAARO CC(C)(CNC(=O)c1cccc(OCc2cscn2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025463184 558641733 /nfs/dbraw/zinc/64/17/33/558641733.db2.gz DGGYQKSJHYKACE-UHFFFAOYSA-N 1 0 421.566 4.289 50 0 HIAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC000014534315 558657333 /nfs/dbraw/zinc/65/73/33/558657333.db2.gz MLFNKFVWTRWZLT-IBGZPJMESA-N 1 0 414.981 4.076 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2c(C)nn(CC(C)C)c2Cl)[NH+]2CCCC2)cc1 ZINC000014701035 558663980 /nfs/dbraw/zinc/66/39/80/558663980.db2.gz YEDVFXMVNGFWNM-LJQANCHMSA-N 1 0 418.969 4.076 50 0 HIAARO O=C(COc1ccc(Br)cc1)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027582029 558675864 /nfs/dbraw/zinc/67/58/64/558675864.db2.gz NXXBJIPLRODCBO-KRWDZBQOSA-N 1 0 423.376 4.233 50 0 HIAARO CCCCCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000027822628 558683757 /nfs/dbraw/zinc/68/37/57/558683757.db2.gz ABQZIDAZDXZBKH-UHFFFAOYSA-N 1 0 417.015 4.497 50 0 HIAARO COC(=O)C1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 ZINC000014965651 558685698 /nfs/dbraw/zinc/68/56/98/558685698.db2.gz NIDGWMQIPHFNFR-UHFFFAOYSA-N 1 0 407.489 4.372 50 0 HIAARO COCCN(Cc1cc(F)ccc1F)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014973291 558688258 /nfs/dbraw/zinc/68/82/58/558688258.db2.gz XURXTJKSMHSSFV-IBGZPJMESA-N 1 0 414.540 4.293 50 0 HIAARO Cc1ccc(-c2cccc(CN3CCC([NH+]4CCC(C(=O)NC(C)C)CC4)CC3)c2)o1 ZINC000014974127 558688599 /nfs/dbraw/zinc/68/85/99/558688599.db2.gz YDEOOVBSHSEMBQ-UHFFFAOYSA-N 1 0 423.601 4.456 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3sccc3C)CC2)c1 ZINC000014974136 558688613 /nfs/dbraw/zinc/68/86/13/558688613.db2.gz WEISZQPLNVBXSE-UHFFFAOYSA-N 1 0 400.544 4.001 50 0 HIAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000028292624 558698030 /nfs/dbraw/zinc/69/80/30/558698030.db2.gz WUGIYVHCMUXMIR-UHFFFAOYSA-N 1 0 417.981 4.383 50 0 HIAARO CC(C)(C)CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015067411 558710044 /nfs/dbraw/zinc/71/00/44/558710044.db2.gz ITYMRVWFSHFJJV-OAQYLSRUSA-N 1 0 404.570 4.482 50 0 HIAARO Cc1oc(-c2cc(F)ccc2F)nc1C[NH+]1CCC(CCN2CCCC2=O)CC1 ZINC000015073536 558714236 /nfs/dbraw/zinc/71/42/36/558714236.db2.gz WNDRSOUSHINHRO-UHFFFAOYSA-N 1 0 403.473 4.153 50 0 HIAARO C[C@@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1nccs1 ZINC000015075313 558715838 /nfs/dbraw/zinc/71/58/38/558715838.db2.gz AUWMHGNPIZYTJT-QGZVFWFLSA-N 1 0 422.554 4.073 50 0 HIAARO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]CC(C)C)sc2c1CCCC2 ZINC000004554393 558721892 /nfs/dbraw/zinc/72/18/92/558721892.db2.gz XHKFBJGEBPVFAG-UHFFFAOYSA-N 1 0 415.559 4.072 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)no2)cc1 ZINC000015859672 558757330 /nfs/dbraw/zinc/75/73/30/558757330.db2.gz HVXNFTBKZMYCNC-IBGZPJMESA-N 1 0 411.527 4.369 50 0 HIAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094060 558759794 /nfs/dbraw/zinc/75/97/94/558759794.db2.gz PFMVTGZMBUMYRX-SZNDQCEHSA-N 1 0 418.921 4.434 50 0 HIAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000011096410 558762561 /nfs/dbraw/zinc/76/25/61/558762561.db2.gz QLYYYJBKOQHTKP-QVKFZJNVSA-N 1 0 408.546 4.468 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+]2CCCCC2)cc1 ZINC000015996304 558765845 /nfs/dbraw/zinc/76/58/45/558765845.db2.gz DTHHALVHXANPEF-HXUWFJFHSA-N 1 0 417.347 4.415 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[NH+]2CCCC2)cc1 ZINC000072309223 558772526 /nfs/dbraw/zinc/77/25/26/558772526.db2.gz SZELXEDNTBTFHV-DEOSSOPVSA-N 1 0 407.558 4.252 50 0 HIAARO COC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453899 558792158 /nfs/dbraw/zinc/79/21/58/558792158.db2.gz KPNJWNKSQUDILC-OAQYLSRUSA-N 1 0 411.502 4.271 50 0 HIAARO COc1ccc(OCC[NH2+]CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016695389 558800814 /nfs/dbraw/zinc/80/08/14/558800814.db2.gz PQWNYNVHMXTKRM-LJQANCHMSA-N 1 0 404.510 4.208 50 0 HIAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016699067 558801321 /nfs/dbraw/zinc/80/13/21/558801321.db2.gz HJTSYAASQMOYNF-IBGZPJMESA-N 1 0 419.529 4.340 50 0 HIAARO CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCC[NH+]3CCCC3)cc21 ZINC000032986726 558806783 /nfs/dbraw/zinc/80/67/83/558806783.db2.gz ZKJNJPYLEYWENV-UHFFFAOYSA-N 1 0 403.526 4.435 50 0 HIAARO Cc1c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000038850194 558818682 /nfs/dbraw/zinc/81/86/82/558818682.db2.gz FCGRKENOTLJOLI-UHFFFAOYSA-N 1 0 418.541 4.113 50 0 HIAARO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000072314289 558843671 /nfs/dbraw/zinc/84/36/71/558843671.db2.gz ZCTLMEZXHBDLMD-UHFFFAOYSA-N 1 0 406.530 4.163 50 0 HIAARO c1[nH]nc(-c2cccc3ccccc32)c1C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000019146131 558846636 /nfs/dbraw/zinc/84/66/36/558846636.db2.gz AGHCFJNVCHRBQI-QFIPXVFZSA-N 1 0 404.558 4.307 50 0 HIAARO CC1(C)C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CCO1 ZINC000019223445 558852311 /nfs/dbraw/zinc/85/23/11/558852311.db2.gz GMWWFLVWAMLTHB-IBGZPJMESA-N 1 0 405.498 4.315 50 0 HIAARO CC[C@H](C)[N@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028856 558852571 /nfs/dbraw/zinc/85/25/71/558852571.db2.gz PXFXVRFYQVVXDW-INIZCTEOSA-N 1 0 409.486 4.248 50 0 HIAARO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000019227095 558852773 /nfs/dbraw/zinc/85/27/73/558852773.db2.gz QELYFZPENKUXHQ-KRWDZBQOSA-N 1 0 409.486 4.142 50 0 HIAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000019229562 558853596 /nfs/dbraw/zinc/85/35/96/558853596.db2.gz SMKZQBADLVOVJW-HHHXNRCGSA-N 1 0 420.645 4.499 50 0 HIAARO Cc1noc(Cl)c1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000060354141 558868483 /nfs/dbraw/zinc/86/84/83/558868483.db2.gz YEGFTDSXYJJSHP-UHFFFAOYSA-N 1 0 418.752 4.466 50 0 HIAARO Cc1ccsc1C[N@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000055036404 558870140 /nfs/dbraw/zinc/87/01/40/558870140.db2.gz VIMDWGDQRHUHJH-YJBOKZPZSA-N 1 0 414.600 4.193 50 0 HIAARO CSc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055154805 558874522 /nfs/dbraw/zinc/87/45/22/558874522.db2.gz FHTRGFNNBGIEMG-OAQYLSRUSA-N 1 0 410.587 4.227 50 0 HIAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)c1 ZINC000004678308 558889648 /nfs/dbraw/zinc/88/96/48/558889648.db2.gz OVAPUZBOSALLTF-UHFFFAOYSA-N 1 0 402.292 4.479 50 0 HIAARO COc1cccc(-c2c[nH+]c(NCc3cc(Br)c(O)c(OC)c3)n2C)c1 ZINC000004678550 558889766 /nfs/dbraw/zinc/88/97/66/558889766.db2.gz WEDQOBHSRXSZFM-UHFFFAOYSA-N 1 0 418.291 4.185 50 0 HIAARO O=C1NC2(CCCCCC2)C(=O)N1C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000057995731 558893681 /nfs/dbraw/zinc/89/36/81/558893681.db2.gz HPJDIZWOPRYDKQ-UHFFFAOYSA-N 1 0 420.351 4.020 50 0 HIAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000058022992 558895900 /nfs/dbraw/zinc/89/59/00/558895900.db2.gz JDLKDDRRVXMPOW-JOCHJYFZSA-N 1 0 406.530 4.105 50 0 HIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000058032413 558896594 /nfs/dbraw/zinc/89/65/94/558896594.db2.gz SVWKBHIITVDRNX-UHFFFAOYSA-N 1 0 405.380 4.252 50 0 HIAARO COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000058163621 558906438 /nfs/dbraw/zinc/90/64/38/558906438.db2.gz DDTVUMCHIAIMOI-SFHVURJKSA-N 1 0 403.567 4.062 50 0 HIAARO Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072403291 558961783 /nfs/dbraw/zinc/96/17/83/558961783.db2.gz UKHRLVJWAQMIFE-UHFFFAOYSA-N 1 0 408.933 4.135 50 0 HIAARO COc1ccc(-n2cc(CN(C)[C@@H]3CC[N@H+](C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421605 558978405 /nfs/dbraw/zinc/97/84/05/558978405.db2.gz SCJLOJJFXXNAEU-LJQANCHMSA-N 1 0 410.949 4.337 50 0 HIAARO CC(=O)N[C@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000072431565 558979464 /nfs/dbraw/zinc/97/94/64/558979464.db2.gz AROHIQCDHNCJLG-SFHVURJKSA-N 1 0 412.534 4.067 50 0 HIAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068997 558982478 /nfs/dbraw/zinc/98/24/78/558982478.db2.gz CWKVKOXXTAYBDU-UHFFFAOYSA-N 1 0 405.523 4.454 50 0 HIAARO COc1cc(C[NH+]2CCC(Nc3ccccc3Br)CC2)cc(OC)c1O ZINC000004747773 559046100 /nfs/dbraw/zinc/04/61/00/559046100.db2.gz RSTPEQPFKBJWIO-UHFFFAOYSA-N 1 0 421.335 4.248 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000023211942 559059016 /nfs/dbraw/zinc/05/90/16/559059016.db2.gz KHNDHMJNISVDDO-NRFANRHFSA-N 1 0 402.966 4.334 50 0 HIAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023211975 559059471 /nfs/dbraw/zinc/05/94/71/559059471.db2.gz SGYSURBJMPKZNW-RXVVDRJESA-N 1 0 402.966 4.415 50 0 HIAARO Cc1cccc(CC[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095498285 559081785 /nfs/dbraw/zinc/08/17/85/559081785.db2.gz VGCOVEAYFMKBLU-GOSISDBHSA-N 1 0 401.501 4.019 50 0 HIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2conc2-c2ccccc2)CC1 ZINC000095500214 559082093 /nfs/dbraw/zinc/08/20/93/559082093.db2.gz NKDYICRJSMOZCJ-UHFFFAOYSA-N 1 0 403.526 4.368 50 0 HIAARO COc1cc(C[NH2+]CCCOc2ccccn2)cc(Br)c1OC(C)C ZINC000113396481 559179928 /nfs/dbraw/zinc/17/99/28/559179928.db2.gz AOSIEHIGKDGFMN-UHFFFAOYSA-N 1 0 409.324 4.199 50 0 HIAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000113401008 559180726 /nfs/dbraw/zinc/18/07/26/559180726.db2.gz ABDKNSMVHUTHOM-UHFFFAOYSA-N 1 0 414.509 4.221 50 0 HIAARO COc1cc(Br)cc(C[NH2+]CCc2nc3ccccc3[nH]2)c1OC(C)C ZINC000113401169 559180729 /nfs/dbraw/zinc/18/07/29/559180729.db2.gz YVCBCMGXMUGDOD-UHFFFAOYSA-N 1 0 418.335 4.454 50 0 HIAARO O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198693 559189851 /nfs/dbraw/zinc/18/98/51/559189851.db2.gz GGGUEYCQLIHTKW-MBKAAHDRSA-N 1 0 421.516 4.115 50 0 HIAARO Cc1ccccc1Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000408524854 559215472 /nfs/dbraw/zinc/21/54/72/559215472.db2.gz IOQCPTGTRZNALD-UHFFFAOYSA-N 1 0 424.552 4.019 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132188 559249521 /nfs/dbraw/zinc/24/95/21/559249521.db2.gz WOKXFRBYWKPJME-MRXNPFEDSA-N 1 0 409.555 4.398 50 0 HIAARO COc1ccc(C(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1OC ZINC000000860282 559290571 /nfs/dbraw/zinc/29/05/71/559290571.db2.gz LAENUZQHPWDHFN-UHFFFAOYSA-N 1 0 408.542 4.188 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)nc21 ZINC000005256893 560550789 /nfs/dbraw/zinc/55/07/89/560550789.db2.gz LDRGINOXVXCNLQ-UHFFFAOYSA-N 1 0 407.898 4.306 50 0 HIAARO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 ZINC000061992863 560568798 /nfs/dbraw/zinc/56/87/98/560568798.db2.gz JYQVXEKPJQQPDT-QBIGFDGOSA-N 1 0 422.569 4.052 50 0 HIAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(C)c3)n2)CC1 ZINC000017288711 560706031 /nfs/dbraw/zinc/70/60/31/560706031.db2.gz WQIQBSPQNJLLCI-UHFFFAOYSA-N 1 0 413.529 4.009 50 0 HIAARO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000011694014 560773868 /nfs/dbraw/zinc/77/38/68/560773868.db2.gz HJZHYIFEZCHXLL-UHFFFAOYSA-N 1 0 418.324 4.080 50 0 HIAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@](O)(c1ccco1)C(F)(F)F ZINC000106080804 560884657 /nfs/dbraw/zinc/88/46/57/560884657.db2.gz SXMWZEAPKSSKDA-KKSFZXQISA-N 1 0 424.463 4.110 50 0 HIAARO CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107076434 560895279 /nfs/dbraw/zinc/89/52/79/560895279.db2.gz JVNZEMYXBWEJSX-DYESRHJHSA-N 1 0 424.545 4.343 50 0 HIAARO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000010435697 568416355 /nfs/dbraw/zinc/41/63/55/568416355.db2.gz XROWKBXPMQSXKI-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000048236990 568432957 /nfs/dbraw/zinc/43/29/57/568432957.db2.gz UMCJPQPNTQFBBU-INIZCTEOSA-N 1 0 416.591 4.363 50 0 HIAARO CCOc1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C(C)C)cc1OCC ZINC000024778796 568462990 /nfs/dbraw/zinc/46/29/90/568462990.db2.gz WRZZITLSDLSMGH-JOCHJYFZSA-N 1 0 408.502 4.192 50 0 HIAARO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012212 568488332 /nfs/dbraw/zinc/48/83/32/568488332.db2.gz FIJXHTVDFUXOFC-UHFFFAOYSA-N 1 0 402.542 4.074 50 0 HIAARO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000222197990 568514320 /nfs/dbraw/zinc/51/43/20/568514320.db2.gz KQXCZCKCZIAWRD-XUVXKRRUSA-N 1 0 417.594 4.147 50 0 HIAARO O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020108548 568588507 /nfs/dbraw/zinc/58/85/07/568588507.db2.gz RHGCQWPTVAGFDS-JOCHJYFZSA-N 1 0 403.998 4.390 50 0 HIAARO C[NH+]1CCN(c2cccc(Nc3ncnc4onc(-c5ccc(Cl)cc5)c43)c2)CC1 ZINC000020329989 568599047 /nfs/dbraw/zinc/59/90/47/568599047.db2.gz GBOGCKOFGQRRMG-UHFFFAOYSA-N 1 0 420.904 4.434 50 0 HIAARO O[C@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020385300 568603027 /nfs/dbraw/zinc/60/30/27/568603027.db2.gz HVESAQPZCWPJRY-SFHVURJKSA-N 1 0 414.468 4.120 50 0 HIAARO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095400364 568604932 /nfs/dbraw/zinc/60/49/32/568604932.db2.gz YLPFJKJPGWEKDP-RUZDIDTESA-N 1 0 416.569 4.219 50 0 HIAARO C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1cccc(Cl)c1 ZINC000020436105 568607242 /nfs/dbraw/zinc/60/72/42/568607242.db2.gz ZRBJHDVIVZNMQZ-UHFFFAOYSA-N 1 0 415.921 4.174 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3C=C12 ZINC000020612293 568637472 /nfs/dbraw/zinc/63/74/72/568637472.db2.gz RGHKEJPNSWYLEW-FSIRCMOZSA-N 1 0 400.607 4.251 50 0 HIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225504666 568644168 /nfs/dbraw/zinc/64/41/68/568644168.db2.gz WSSLPTABKIHBLQ-LBPRGKRZSA-N 1 0 417.884 4.457 50 0 HIAARO CCOC(=O)c1c(C)oc2ncnc(NCC3CC[NH+](Cc4cccc(C)c4)CC3)c21 ZINC000020941989 568652927 /nfs/dbraw/zinc/65/29/27/568652927.db2.gz PXMRNCUTYWBMTQ-UHFFFAOYSA-N 1 0 422.529 4.340 50 0 HIAARO CCN(C(=O)Nc1cc(OC)ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095942614 568662265 /nfs/dbraw/zinc/66/22/65/568662265.db2.gz MARUBFGRXUGEOV-KRWDZBQOSA-N 1 0 419.472 4.425 50 0 HIAARO CC[N@H+](CC(=O)N[C@H](C)c1cccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670426 568662500 /nfs/dbraw/zinc/66/25/00/568662500.db2.gz QKQJGCGHXVYPIF-SJORKVTESA-N 1 0 409.596 4.037 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000096130025 568701974 /nfs/dbraw/zinc/70/19/74/568701974.db2.gz LDXMHBLERWMAHX-JTHGQSKGSA-N 1 0 402.589 4.287 50 0 HIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(Br)c2)c(OC)c1 ZINC000229685474 568714973 /nfs/dbraw/zinc/71/49/73/568714973.db2.gz CCVQNBZOXGCYBV-RTBURBONSA-N 1 0 406.320 4.337 50 0 HIAARO CCOC(=O)c1nc2ccccc2c(NCC2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000021645261 568728142 /nfs/dbraw/zinc/72/81/42/568728142.db2.gz ZATAQNKKHOXVQV-UHFFFAOYSA-N 1 0 422.504 4.270 50 0 HIAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000241231092 568730839 /nfs/dbraw/zinc/73/08/39/568730839.db2.gz KRVZTXPWPJALAL-WBMJQRKESA-N 1 0 413.349 4.376 50 0 HIAARO OCCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000247753504 568745558 /nfs/dbraw/zinc/74/55/58/568745558.db2.gz CCVIOTXGBHBDQR-UHFFFAOYSA-N 1 0 405.329 4.162 50 0 HIAARO CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247986577 568747050 /nfs/dbraw/zinc/74/70/50/568747050.db2.gz KRJZNRRUNWRSNK-GOSISDBHSA-N 1 0 408.521 4.245 50 0 HIAARO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)c1 ZINC000248113164 568747429 /nfs/dbraw/zinc/74/74/29/568747429.db2.gz RJQYPPOPVJNPBQ-JOCHJYFZSA-N 1 0 418.585 4.497 50 0 HIAARO c1ccc(Cn2nc(C[NH2+]CCc3nc4ccccc4[nH]3)c(-c3ccccc3)n2)cc1 ZINC000261491716 568820219 /nfs/dbraw/zinc/82/02/19/568820219.db2.gz FDQCNANSPIIADW-UHFFFAOYSA-N 1 0 408.509 4.202 50 0 HIAARO C[NH+](C)CCCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261492022 568820467 /nfs/dbraw/zinc/82/04/67/568820467.db2.gz PRFAGVAJXLLOQN-UHFFFAOYSA-N 1 0 418.372 4.342 50 0 HIAARO Fc1ccc(Cn2nc(C[NH2+]CCCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492626 568820600 /nfs/dbraw/zinc/82/06/00/568820600.db2.gz VOMDYNXEBJJTDZ-UHFFFAOYSA-N 1 0 417.488 4.086 50 0 HIAARO CCCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccc3)CC1)n2C ZINC000057264295 568825172 /nfs/dbraw/zinc/82/51/72/568825172.db2.gz PRLVAHUGYYIIKW-UHFFFAOYSA-N 1 0 419.573 4.067 50 0 HIAARO Cc1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057314353 568826608 /nfs/dbraw/zinc/82/66/08/568826608.db2.gz AJRNCPOERDHVBT-UHFFFAOYSA-N 1 0 415.537 4.335 50 0 HIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000005885596 568828254 /nfs/dbraw/zinc/82/82/54/568828254.db2.gz SBGIKBLYMCDFFM-QFIPXVFZSA-N 1 0 400.563 4.163 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000057380649 568830454 /nfs/dbraw/zinc/83/04/54/568830454.db2.gz RBLGVXLVTTYAOD-MOPGFXCFSA-N 1 0 403.526 4.251 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000057488159 568843511 /nfs/dbraw/zinc/84/35/11/568843511.db2.gz KKYXKVSFRCMMRQ-VGOFRKELSA-N 1 0 403.482 4.317 50 0 HIAARO COc1ccc(C[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000003215924 568862511 /nfs/dbraw/zinc/86/25/11/568862511.db2.gz NEGSKLHVLAEMMH-UHFFFAOYSA-N 1 0 421.463 4.433 50 0 HIAARO Cc1cccc(N2CCC(NC(=O)CC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000670435759 568875568 /nfs/dbraw/zinc/87/55/68/568875568.db2.gz UAROEMAMXYBGPO-UHFFFAOYSA-N 1 0 405.586 4.382 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2Cl ZINC000263586069 568878807 /nfs/dbraw/zinc/87/88/07/568878807.db2.gz POMRNRAFYHJNEI-GHTZIAJQSA-N 1 0 417.981 4.034 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 ZINC000058157237 568893592 /nfs/dbraw/zinc/89/35/92/568893592.db2.gz JEUPILUYUXLXPE-UHFFFAOYSA-N 1 0 402.542 4.324 50 0 HIAARO Cc1nc(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012706071 568917376 /nfs/dbraw/zinc/91/73/76/568917376.db2.gz UKNPLKOWTYTZEC-GOSISDBHSA-N 1 0 405.995 4.061 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000084651522 568954664 /nfs/dbraw/zinc/95/46/64/568954664.db2.gz UZHCKSMWYCWQNZ-CQSZACIVSA-N 1 0 422.978 4.330 50 0 HIAARO COc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000084686434 568955640 /nfs/dbraw/zinc/95/56/40/568955640.db2.gz CBVIZNFBKFTCPR-SJLPKXTDSA-N 1 0 418.484 4.327 50 0 HIAARO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)C)cc1 ZINC000084734006 568957263 /nfs/dbraw/zinc/95/72/63/568957263.db2.gz GORSLIUAGUJMDS-LJQANCHMSA-N 1 0 406.523 4.032 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000007990061 568966649 /nfs/dbraw/zinc/96/66/49/568966649.db2.gz WJMIEHQWRNIPFV-HXUWFJFHSA-N 1 0 420.912 4.210 50 0 HIAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000008131043 568975242 /nfs/dbraw/zinc/97/52/42/568975242.db2.gz YMTVMOHZJDPVMQ-UHFFFAOYSA-N 1 0 420.557 4.397 50 0 HIAARO Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000008133310 568976366 /nfs/dbraw/zinc/97/63/66/568976366.db2.gz REDIYQYAHYSPGZ-UHFFFAOYSA-N 1 0 419.525 4.396 50 0 HIAARO COc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)c1 ZINC000015772748 568998607 /nfs/dbraw/zinc/99/86/07/568998607.db2.gz GISCSYHKEXMYHL-UHFFFAOYSA-N 1 0 410.905 4.254 50 0 HIAARO Cc1cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000038545852 568999850 /nfs/dbraw/zinc/99/98/50/568999850.db2.gz CKWIAMIFAODNAO-HSZRJFAPSA-N 1 0 407.489 4.020 50 0 HIAARO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000012850491 569010404 /nfs/dbraw/zinc/01/04/04/569010404.db2.gz WZLTWIOCRSQXQZ-ZDUSSCGKSA-N 1 0 404.301 4.206 50 0 HIAARO CC1=C2C[C@@H]3[C@H](CN4CCC([NH+]5CCCCC5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012885494 569019103 /nfs/dbraw/zinc/01/91/03/569019103.db2.gz TWRBLIVZRCVSOS-SWXWDQRWSA-N 1 0 400.607 4.395 50 0 HIAARO Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)sc2nc(C3CC3)nc(C)c12 ZINC000012914757 569022199 /nfs/dbraw/zinc/02/21/99/569022199.db2.gz YUTOANAUQHJSAY-KRWDZBQOSA-N 1 0 412.534 4.357 50 0 HIAARO CC[C@H]1Cn2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3cccc(c32)O1 ZINC000035373623 569034246 /nfs/dbraw/zinc/03/42/46/569034246.db2.gz OAIOAETXWUDWGN-NRFANRHFSA-N 1 0 403.526 4.207 50 0 HIAARO COC(=O)c1c(NC2CC[NH+](Cc3ccccc3)CC2)onc1-c1ccc(F)cc1 ZINC000035447427 569037343 /nfs/dbraw/zinc/03/73/43/569037343.db2.gz 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Cc1c(C)n(C[C@H](O)C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@H]2O)c2ccccc12 ZINC000245229062 569055237 /nfs/dbraw/zinc/05/52/37/569055237.db2.gz MEUDZLHQBCXDFC-DNRSQYFGSA-N 1 0 406.570 4.425 50 0 HIAARO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000245256833 569055552 /nfs/dbraw/zinc/05/55/52/569055552.db2.gz UATZSLNVTLOJRD-HMNRDNJPSA-N 1 0 422.528 4.471 50 0 HIAARO CCc1nc(C)nc(N2CCN(C(=O)C(C)(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769160 569057971 /nfs/dbraw/zinc/05/79/71/569057971.db2.gz PHRFQDIQIBPKSC-UHFFFAOYSA-N 1 0 414.981 4.286 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(c4ncnc5sccc54)C3)C2)c1 ZINC000426556079 569073497 /nfs/dbraw/zinc/07/34/97/569073497.db2.gz XHTUCBZPBONFOJ-QFIPXVFZSA-N 1 0 412.534 4.332 50 0 HIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036032117 569081145 /nfs/dbraw/zinc/08/11/45/569081145.db2.gz FLZCZYLLCATZPP-JOCHJYFZSA-N 1 0 405.494 4.166 50 0 HIAARO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000064677230 569081266 /nfs/dbraw/zinc/08/12/66/569081266.db2.gz JSFOOWCAKWIIGA-UHFFFAOYSA-N 1 0 422.598 4.435 50 0 HIAARO CCc1cc(=O)oc2c1cc(Cl)c1c2CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000006662232 569085437 /nfs/dbraw/zinc/08/54/37/569085437.db2.gz QBNWJRIAXTXGSX-UHFFFAOYSA-N 1 0 404.938 4.470 50 0 HIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095327 569089869 /nfs/dbraw/zinc/08/98/69/569089869.db2.gz HPAFVNDHUOKFBS-HSZRJFAPSA-N 1 0 421.537 4.454 50 0 HIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036096132 569090327 /nfs/dbraw/zinc/09/03/27/569090327.db2.gz HCGUYNJNVZXKLS-FQEVSTJZSA-N 1 0 417.546 4.000 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036101905 569091759 /nfs/dbraw/zinc/09/17/59/569091759.db2.gz DLJARRHVTMIKML-XMMPIXPASA-N 1 0 419.521 4.304 50 0 HIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1C ZINC000036104627 569092585 /nfs/dbraw/zinc/09/25/85/569092585.db2.gz KRDWRZIDRRQMTK-QHCPKHFHSA-N 1 0 419.521 4.474 50 0 HIAARO Cc1ccc2oc(=O)c3cc(C(=O)N(CC[NH+](C)C)Cc4ccco4)sc3c2c1 ZINC000006736920 569104669 /nfs/dbraw/zinc/10/46/69/569104669.db2.gz GZKSQCDLHSRVDL-UHFFFAOYSA-N 1 0 410.495 4.113 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000006771918 569117276 /nfs/dbraw/zinc/11/72/76/569117276.db2.gz JLBPNQLAUPVKEZ-MRXNPFEDSA-N 1 0 411.571 4.138 50 0 HIAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169681693 569127712 /nfs/dbraw/zinc/12/77/12/569127712.db2.gz INDFLJYLRAFLOD-QFBILLFUSA-N 1 0 407.938 4.398 50 0 HIAARO O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006809357 569133542 /nfs/dbraw/zinc/13/35/42/569133542.db2.gz DIUHSWSCVMVAIU-UHFFFAOYSA-N 1 0 420.944 4.486 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3ccccc3OC)C2)cc1 ZINC000036341425 569141953 /nfs/dbraw/zinc/14/19/53/569141953.db2.gz ZRUPGJMOTXMHIY-JPYJTQIMSA-N 1 0 421.541 4.256 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341643 569142015 /nfs/dbraw/zinc/14/20/15/569142015.db2.gz KGMIMGQKJRPBHE-JPYJTQIMSA-N 1 0 421.541 4.256 50 0 HIAARO COc1ccccc1[C@@H]1CC(c2cccc(C)c2)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036345323 569143221 /nfs/dbraw/zinc/14/32/21/569143221.db2.gz UNQSCHGGHFMLDL-QHCPKHFHSA-N 1 0 405.542 4.413 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989489 569146024 /nfs/dbraw/zinc/14/60/24/569146024.db2.gz SCDSCKXTNBJTEO-UHFFFAOYSA-N 1 0 407.562 4.104 50 0 HIAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc3)ccc21 ZINC000065026991 569155937 /nfs/dbraw/zinc/15/59/37/569155937.db2.gz VQACZTNOOJJBOS-LJQANCHMSA-N 1 0 419.569 4.257 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3F)CC2)c2cc(OC)ccc21 ZINC000065060015 569163936 /nfs/dbraw/zinc/16/39/36/569163936.db2.gz XLXKXBGNNIRZHP-UHFFFAOYSA-N 1 0 423.532 4.337 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000036391007 569166716 /nfs/dbraw/zinc/16/67/16/569166716.db2.gz MIPDJFINYQSIIA-UHFFFAOYSA-N 1 0 415.559 4.075 50 0 HIAARO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1 ZINC000065256967 569208525 /nfs/dbraw/zinc/20/85/25/569208525.db2.gz QEAHTMFNAVKAKO-JOCHJYFZSA-N 1 0 404.489 4.150 50 0 HIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000065257934 569209867 /nfs/dbraw/zinc/20/98/67/569209867.db2.gz DMIZNCMYNUODPA-UHFFFAOYSA-N 1 0 413.472 4.075 50 0 HIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)n1 ZINC000065257936 569209957 /nfs/dbraw/zinc/20/99/57/569209957.db2.gz UKGUVKSIKCVBIY-UHFFFAOYSA-N 1 0 411.937 4.450 50 0 HIAARO COCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000065314977 569223399 /nfs/dbraw/zinc/22/33/99/569223399.db2.gz HDGCUGCSIWEMEY-UHFFFAOYSA-N 1 0 419.569 4.054 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000007263608 569230795 /nfs/dbraw/zinc/23/07/95/569230795.db2.gz KZRMPBSEPYFSII-JOCHJYFZSA-N 1 0 422.500 4.436 50 0 HIAARO C[C@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1)c1ccccc1 ZINC000065551479 569234989 /nfs/dbraw/zinc/23/49/89/569234989.db2.gz HUHDDNBMZOUJIA-RXVVDRJESA-N 1 0 405.498 4.382 50 0 HIAARO C[C@H](NC(=O)Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-c2cccnc2)cc1 ZINC000170600279 569242963 /nfs/dbraw/zinc/24/29/63/569242963.db2.gz CHNSLNYLBPTMAW-IBGZPJMESA-N 1 0 403.526 4.109 50 0 HIAARO CCCCc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1COC(C)(C)C2 ZINC000002272092 569327063 /nfs/dbraw/zinc/32/70/63/569327063.db2.gz GOAYZXJUIKVVKD-UHFFFAOYSA-N 1 0 413.591 4.407 50 0 HIAARO COc1ccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc1OC ZINC000253398425 569365450 /nfs/dbraw/zinc/36/54/50/569365450.db2.gz CDPDJSWPHRTENH-BOCITWAFSA-N 1 0 424.585 4.058 50 0 HIAARO CC1CC[NH+]([C@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)c2cccs2)CC1 ZINC000027573842 569374765 /nfs/dbraw/zinc/37/47/65/569374765.db2.gz OATZFTLOPCWMAO-MRXNPFEDSA-N 1 0 406.935 4.333 50 0 HIAARO O=c1c2c3c(sc2n(CC[NH+]2CCCC2)c(=O)n1C1CCCCC1)CCCCC3 ZINC000002353754 569385258 /nfs/dbraw/zinc/38/52/58/569385258.db2.gz NKVPUIZSIJXFSE-UHFFFAOYSA-N 1 0 415.603 4.095 50 0 HIAARO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000078869632 569420859 /nfs/dbraw/zinc/42/08/59/569420859.db2.gz ZEBNWDZUHSRAOK-MSOLQXFVSA-N 1 0 415.603 4.423 50 0 HIAARO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C12CCCCC2 ZINC000078954304 569422026 /nfs/dbraw/zinc/42/20/26/569422026.db2.gz JREPFTXWLVOGFN-FGZHOGPDSA-N 1 0 414.594 4.078 50 0 HIAARO C[N@H+](CCCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)Cc1ccccc1 ZINC000040033600 571141046 /nfs/dbraw/zinc/14/10/46/571141046.db2.gz ARUNYUWFZPRYKA-UHFFFAOYSA-N 1 0 413.468 4.191 50 0 HIAARO CNC(=O)c1ccc(CN(C)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000040103360 571163995 /nfs/dbraw/zinc/16/39/95/571163995.db2.gz LKZFBFJOSHBSCS-UHFFFAOYSA-N 1 0 422.573 4.475 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cs1 ZINC000040107663 571167928 /nfs/dbraw/zinc/16/79/28/571167928.db2.gz PPDNTPXKLFSKGX-UHFFFAOYSA-N 1 0 403.617 4.233 50 0 HIAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000009151186 571230340 /nfs/dbraw/zinc/23/03/40/571230340.db2.gz RQDQTIKKECREBE-UHFFFAOYSA-N 1 0 415.509 4.361 50 0 HIAARO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccc(F)c(F)c3)n2)cc1 ZINC000009154221 571231571 /nfs/dbraw/zinc/23/15/71/571231571.db2.gz OGQQOFFUKMIGRI-LBPRGKRZSA-N 1 0 403.454 4.386 50 0 HIAARO NC(=O)c1cccc(C[NH+]2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000069630478 571235309 /nfs/dbraw/zinc/23/53/09/571235309.db2.gz YZOOUXBEVNVTTO-IBGZPJMESA-N 1 0 422.916 4.259 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(F)cc1)N(CC[NH+](C)C)C3=O ZINC000009328235 571248324 /nfs/dbraw/zinc/24/83/24/571248324.db2.gz CHZLFMDDLZHTCY-IBGZPJMESA-N 1 0 414.864 4.001 50 0 HIAARO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2)CC1 ZINC000069946934 571250725 /nfs/dbraw/zinc/25/07/25/571250725.db2.gz DLQJDVPZGPLGFJ-UHFFFAOYSA-N 1 0 402.542 4.046 50 0 HIAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000010214327 571296855 /nfs/dbraw/zinc/29/68/55/571296855.db2.gz CQNYMPRBIOMUEG-NRFANRHFSA-N 1 0 407.514 4.059 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(CCC[NH+](C)C)C3=O ZINC000010233139 571297505 /nfs/dbraw/zinc/29/75/05/571297505.db2.gz WYPUEVLMQFLQLD-NRFANRHFSA-N 1 0 408.473 4.046 50 0 HIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1cccc(I)c1 ZINC000010339726 571301054 /nfs/dbraw/zinc/30/10/54/571301054.db2.gz RTFQHSHXBFZSFO-QGZVFWFLSA-N 1 0 406.267 4.067 50 0 HIAARO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)o1 ZINC000011719223 845829228 /nfs/dbraw/zinc/82/92/28/845829228.db2.gz GZSJREHDUDABJT-KRWDZBQOSA-N 1 0 411.527 4.400 50 0 HIAARO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cc2c1OCO2 ZINC000011844216 845838208 /nfs/dbraw/zinc/83/82/08/845838208.db2.gz GZJOBQMCZNJNQS-DEOSSOPVSA-N 1 0 412.505 4.051 50 0 HIAARO COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cccn1-c1cccnc1)CC2 ZINC000012122532 845854969 /nfs/dbraw/zinc/85/49/69/845854969.db2.gz BAYYKANEMSJKTO-OAQYLSRUSA-N 1 0 416.525 4.122 50 0 HIAARO CCc1ccc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000012373772 845868335 /nfs/dbraw/zinc/86/83/35/845868335.db2.gz IJGLEDYHLNBEJG-QHCPKHFHSA-N 1 0 423.601 4.225 50 0 HIAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC000014539156 845956868 /nfs/dbraw/zinc/95/68/68/845956868.db2.gz DEZONIWMWOJJQN-HXUWFJFHSA-N 1 0 404.558 4.041 50 0 HIAARO C[C@@H]([NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1cccs1 ZINC000015003516 845998874 /nfs/dbraw/zinc/99/88/74/845998874.db2.gz GMVNQYWNAVGTBM-MRXNPFEDSA-N 1 0 407.543 4.110 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2cnc(SC)nc2)cc1 ZINC000015064412 846005464 /nfs/dbraw/zinc/00/54/64/846005464.db2.gz AWXAOIKDACYOKB-LJQANCHMSA-N 1 0 409.559 4.196 50 0 HIAARO Cc1oc(-c2cccc3ccccc32)nc1CN1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000019148272 846353804 /nfs/dbraw/zinc/35/38/04/846353804.db2.gz MOSHRKHGRXGNGB-HXUWFJFHSA-N 1 0 419.569 4.472 50 0 HIAARO COc1ccc([C@@](O)(C[NH2+]Cc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000022171386 846541010 /nfs/dbraw/zinc/54/10/10/846541010.db2.gz BPATZKQHLKJMRV-JOCHJYFZSA-N 1 0 412.327 4.483 50 0 HIAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC(=O)c3ccccc32)Cc2ccccc2C1 ZINC000023367195 846690510 /nfs/dbraw/zinc/69/05/10/846690510.db2.gz VDEPZCSLMSPWNI-RUZDIDTESA-N 1 0 424.544 4.142 50 0 HIAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3c(C)nn(-c4ccc(F)cc4)c3C)C2)c1 ZINC000067458093 852366831 /nfs/dbraw/zinc/36/68/31/852366831.db2.gz DRWLHODOEXJNIJ-QFIPXVFZSA-N 1 0 422.548 4.391 50 0 HIAARO O=C(c1c(F)cccc1F)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000169764187 853658177 /nfs/dbraw/zinc/65/81/77/853658177.db2.gz HFUBFYRQMFDREI-UHFFFAOYSA-N 1 0 414.496 4.251 50 0 HIAARO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+](C2CCSCC2)C1)N1CCCCC1 ZINC000169765012 853658672 /nfs/dbraw/zinc/65/86/72/853658672.db2.gz VUWAXCNXCXCFNT-LJQANCHMSA-N 1 0 402.604 4.299 50 0 HIAARO Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@@H]([N@H+](C)Cc2ccccc2)CCO3)s1 ZINC000169773931 853661770 /nfs/dbraw/zinc/66/17/70/853661770.db2.gz AWOSHCHMTURKOX-FQEVSTJZSA-N 1 0 413.587 4.046 50 0 HIAARO O=C(C1CCC1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776699 853663309 /nfs/dbraw/zinc/66/33/09/853663309.db2.gz BEFZVWFEKMENKX-JOCHJYFZSA-N 1 0 400.538 4.130 50 0 HIAARO CN1CCCCC[C@H](O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000257182089 854233541 /nfs/dbraw/zinc/23/35/41/854233541.db2.gz ONPZJGOQOLSWIP-VWLOTQADSA-N 1 0 421.585 4.125 50 0 HIAARO c1cn2c(n1)[C@@H](C1CC[NH+](CCc3ccccc3)CC1)N(Cc1cccnc1)CCC2 ZINC000257187213 854233813 /nfs/dbraw/zinc/23/38/13/854233813.db2.gz ACKHJJRNYPGDAV-RUZDIDTESA-N 1 0 415.585 4.180 50 0 HIAARO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3-c3nc(-c4ccncc4)no3)C2)o1 ZINC000575314386 948642803 /nfs/dbraw/zinc/64/28/03/948642803.db2.gz JEJWVPWDXRIPSF-LJQANCHMSA-N 1 0 402.454 4.353 50 0 HIAARO CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(c2cccc(F)c2)[C@@H]3c2ccccc2)cn1 ZINC000575317230 948643957 /nfs/dbraw/zinc/64/39/57/948643957.db2.gz GELPSZVPMFDYEC-HSZRJFAPSA-N 1 0 418.516 4.412 50 0 HIAARO COc1ccc(C(=O)N2CCC([N@@H+]3CC4(CCCCC4)[C@H]3c3ccncc3)CC2)cn1 ZINC000575317521 948644382 /nfs/dbraw/zinc/64/43/82/948644382.db2.gz WNGVLOHYTNZGBM-HSZRJFAPSA-N 1 0 420.557 4.097 50 0 HIAARO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000004675194 132282109 /nfs/dbraw/zinc/28/21/09/132282109.db2.gz DFPXLOYEKMHOOW-UHFFFAOYSA-N 1 0 415.940 4.040 50 0 HIAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCN(c2ccccc2F)CC1 ZINC000004707009 132284486 /nfs/dbraw/zinc/28/44/86/132284486.db2.gz XYGZZNNGTNPCSW-UHFFFAOYSA-N 1 0 415.940 4.040 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=S)Nc2ccccc2)CC1 ZINC000004791873 132288862 /nfs/dbraw/zinc/28/88/62/132288862.db2.gz IYOLPMRZBRNWNU-UHFFFAOYSA-N 1 0 402.995 4.147 50 0 HIAARO CC[NH+]1CCN(c2nc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2OC3)CC1 ZINC000006800244 132317419 /nfs/dbraw/zinc/31/74/19/132317419.db2.gz FMYCPKWRPDZYAU-UHFFFAOYSA-N 1 0 406.917 4.498 50 0 HIAARO c1ccc(-c2nc3c4ccccc4nc(N4CC[NH+](C5CCCCC5)CC4)n3n2)cc1 ZINC000006805400 132317876 /nfs/dbraw/zinc/31/78/76/132317876.db2.gz ZHBTXNXUKNHTGX-UHFFFAOYSA-N 1 0 412.541 4.399 50 0 HIAARO COc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]Cc4ccccn4)CC3)cc2)cc1 ZINC000011912599 132352194 /nfs/dbraw/zinc/35/21/94/132352194.db2.gz SSQTUEJXIMCKTQ-UHFFFAOYSA-N 1 0 416.525 4.101 50 0 HIAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)cc1 ZINC000012245075 132357816 /nfs/dbraw/zinc/35/78/16/132357816.db2.gz ITLPSQYCBIEBQA-UHFFFAOYSA-N 1 0 413.512 4.396 50 0 HIAARO Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012553983 132363430 /nfs/dbraw/zinc/36/34/30/132363430.db2.gz YAMHFQJQSGJBLW-MRXNPFEDSA-N 1 0 421.463 4.172 50 0 HIAARO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000012643233 132365636 /nfs/dbraw/zinc/36/56/36/132365636.db2.gz YEJMNNLQQXOSGC-UHFFFAOYSA-N 1 0 424.932 4.236 50 0 HIAARO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032902481 518671178 /nfs/dbraw/zinc/67/11/78/518671178.db2.gz BMEXOATWHPDHGI-VGOFRKELSA-N 1 0 423.944 4.108 50 0 HIAARO CC(C)(C)OC(=O)N1CCC(O)(C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000040564687 518801230 /nfs/dbraw/zinc/80/12/30/518801230.db2.gz VWOFIJPCVHSJEH-UHFFFAOYSA-N 1 0 410.558 4.451 50 0 HIAARO CC[NH2+]Cc1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 ZINC000040721151 519984911 /nfs/dbraw/zinc/98/49/11/519984911.db2.gz JLZVORNKISFLMJ-UHFFFAOYSA-N 1 0 421.335 4.283 50 0 HIAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(I)c1)[NH2+]CC2 ZINC000019847954 520800208 /nfs/dbraw/zinc/80/02/08/520800208.db2.gz ZNNLLNFVGMVPQG-IBGZPJMESA-N 1 0 423.294 4.324 50 0 HIAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 ZINC000032716671 521037246 /nfs/dbraw/zinc/03/72/46/521037246.db2.gz PSYFDVKTDPDOMT-GOSISDBHSA-N 1 0 400.544 4.112 50 0 HIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)cc2)CC1 ZINC000020575520 521688919 /nfs/dbraw/zinc/68/89/19/521688919.db2.gz IBSWNYUEVDLHHN-UHFFFAOYSA-N 1 0 413.525 4.106 50 0 HIAARO COc1cc(Br)cc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OC(C)C ZINC000040728529 522025937 /nfs/dbraw/zinc/02/59/37/522025937.db2.gz OCOUBIXZKGUIPH-UHFFFAOYSA-N 1 0 408.292 4.263 50 0 HIAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040720591 522450025 /nfs/dbraw/zinc/45/00/25/522450025.db2.gz OAWUCLGBCRESLZ-UHFFFAOYSA-N 1 0 401.309 4.371 50 0 HIAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 ZINC000022765624 523919653 /nfs/dbraw/zinc/91/96/53/523919653.db2.gz HNJQXSQQYWIVHG-HSZRJFAPSA-N 1 0 405.567 4.134 50 0 HIAARO Cc1cccc(N2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)c1C ZINC000025499699 524558588 /nfs/dbraw/zinc/55/85/88/524558588.db2.gz SFVXZMMLKYIBKL-SFHVURJKSA-N 1 0 409.357 4.172 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000040743604 525068540 /nfs/dbraw/zinc/06/85/40/525068540.db2.gz CMEKTGPWQVUWKO-JOCHJYFZSA-N 1 0 424.928 4.489 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000043991403 526158612 /nfs/dbraw/zinc/15/86/12/526158612.db2.gz CREOFAXURNBAHO-UHFFFAOYSA-N 1 0 422.550 4.157 50 0 HIAARO c1ccc(-n2nnnc2Oc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000040721945 526460133 /nfs/dbraw/zinc/46/01/33/526460133.db2.gz IJCWBMXYMHRRPX-UHFFFAOYSA-N 1 0 401.514 4.369 50 0 HIAARO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000032936057 526596302 /nfs/dbraw/zinc/59/63/02/526596302.db2.gz DCLVRWUJRJINKR-UHFFFAOYSA-N 1 0 421.566 4.148 50 0 HIAARO Clc1ccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)cc1Cl ZINC000040720354 526951528 /nfs/dbraw/zinc/95/15/28/526951528.db2.gz NSMRXWINGFBWAB-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+](C1CC1)C1CCCCC1 ZINC000032823927 527057653 /nfs/dbraw/zinc/05/76/53/527057653.db2.gz XOUHJODTQPFHBY-UHFFFAOYSA-N 1 0 403.526 4.237 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911477 527527856 /nfs/dbraw/zinc/52/78/56/527527856.db2.gz GWAHWIQVGFUYEP-NRFANRHFSA-N 1 0 406.505 4.023 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032904083 527531411 /nfs/dbraw/zinc/53/14/11/527531411.db2.gz DUXSMNFXJLJFNK-UHFFFAOYSA-N 1 0 420.553 4.050 50 0 HIAARO O[C@@H](CSc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385328 527662850 /nfs/dbraw/zinc/66/28/50/527662850.db2.gz VVDWESQUSMHLDO-GOSISDBHSA-N 1 0 414.468 4.120 50 0 HIAARO COc1ccccc1N1CC[NH+](C2CCN(Cc3ccc(SC)cc3)CC2)CC1 ZINC000004712104 537068430 /nfs/dbraw/zinc/06/84/30/537068430.db2.gz SJZCJEYYOCPIIE-UHFFFAOYSA-N 1 0 411.615 4.204 50 0 HIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COCCOc1ccc(Br)cc1 ZINC000002082531 557310542 /nfs/dbraw/zinc/31/05/42/557310542.db2.gz AMWRRGYURMZDDM-KRWDZBQOSA-N 1 0 414.384 4.249 50 0 HIAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccncc3)CC2)nc1)c1ccc(Cl)cc1 ZINC000034681748 557383695 /nfs/dbraw/zinc/38/36/95/557383695.db2.gz GYVQNPSNQJDVKU-UHFFFAOYSA-N 1 0 421.932 4.095 50 0 HIAARO C[C@H](C(=O)NCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684511 557387695 /nfs/dbraw/zinc/38/76/95/557387695.db2.gz WHJGVTUQSYWXMT-JOCHJYFZSA-N 1 0 413.565 4.099 50 0 HIAARO CC1(C)CC(NC(=O)COc2ccc3ccccc3c2Br)CC(C)(C)[NH2+]1 ZINC000005077734 557634268 /nfs/dbraw/zinc/63/42/68/557634268.db2.gz IDZGGJWNMFSXNX-UHFFFAOYSA-N 1 0 419.363 4.407 50 0 HIAARO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)c2c1 ZINC000005274561 557642950 /nfs/dbraw/zinc/64/29/50/557642950.db2.gz TZBCLDYCSCWGIC-IBGZPJMESA-N 1 0 416.308 4.247 50 0 HIAARO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000002785844 557759053 /nfs/dbraw/zinc/75/90/53/557759053.db2.gz XLLRXJJWTMYBJH-MRXNPFEDSA-N 1 0 419.363 4.488 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008327013 557782087 /nfs/dbraw/zinc/78/20/87/557782087.db2.gz YLSSNPLSWDRDOH-MRXNPFEDSA-N 1 0 412.299 4.036 50 0 HIAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1Cl ZINC000008535049 557794217 /nfs/dbraw/zinc/79/42/17/557794217.db2.gz NKWJYIGJWKCZCW-GFCCVEGCSA-N 1 0 414.727 4.161 50 0 HIAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)CC)ccc21 ZINC000022804447 557824743 /nfs/dbraw/zinc/82/47/43/557824743.db2.gz RHBQBISZXZFDKA-UHFFFAOYSA-N 1 0 419.573 4.113 50 0 HIAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccc(F)cc1Cl ZINC000010314087 557859541 /nfs/dbraw/zinc/85/95/41/557859541.db2.gz AKRJIVAPXILKEA-UHFFFAOYSA-N 1 0 403.885 4.443 50 0 HIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cnn(-c5ccccc5)c4)C3)C2)c1 ZINC000011662264 558266187 /nfs/dbraw/zinc/26/61/87/558266187.db2.gz POEPXDKSEOLXQI-AREMUKBSSA-N 1 0 414.553 4.309 50 0 HIAARO CCCCc1nc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000011664745 558268211 /nfs/dbraw/zinc/26/82/11/558268211.db2.gz DYMCDHUEPWYHCO-OAQYLSRUSA-N 1 0 424.633 4.080 50 0 HIAARO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1 ZINC000011817537 558281030 /nfs/dbraw/zinc/28/10/30/558281030.db2.gz KOSAATAJBYPEPZ-NRFANRHFSA-N 1 0 414.977 4.304 50 0 HIAARO Cc1ccnc(C[C@@H](C)[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1 ZINC000011821659 558284730 /nfs/dbraw/zinc/28/47/30/558284730.db2.gz USWHFCGELDQTHK-HXUWFJFHSA-N 1 0 417.557 4.036 50 0 HIAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000011822137 558285275 /nfs/dbraw/zinc/28/52/75/558285275.db2.gz VIPONOTUOOWPIM-FQEVSTJZSA-N 1 0 405.542 4.211 50 0 HIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000011838317 558285406 /nfs/dbraw/zinc/28/54/06/558285406.db2.gz YCMAOSOKMQWYKJ-SFHVURJKSA-N 1 0 407.432 4.171 50 0 HIAARO COc1ccc(/C=C/C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000011839625 558286206 /nfs/dbraw/zinc/28/62/06/558286206.db2.gz XRFQNAORUDHGQK-SNAWJCMRSA-N 1 0 408.546 4.371 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+]([C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000011840273 558286385 /nfs/dbraw/zinc/28/63/85/558286385.db2.gz BWELBBDNTSLNFM-FQEVSTJZSA-N 1 0 411.542 4.438 50 0 HIAARO COc1cccc([C@H]2C3=C(NCC[NH+]=C3c3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000019830932 558291477 /nfs/dbraw/zinc/29/14/77/558291477.db2.gz XASJWNRQIKAWIU-VWLOTQADSA-N 1 0 409.489 4.130 50 0 HIAARO COc1cccc([C@@H]2C3=C(NCC[NH+]=C3c3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000019830933 558291510 /nfs/dbraw/zinc/29/15/10/558291510.db2.gz XASJWNRQIKAWIU-RUZDIDTESA-N 1 0 409.489 4.130 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC[C@H]([NH+](C)C)C2)cc1F ZINC000019837974 558293086 /nfs/dbraw/zinc/29/30/86/558293086.db2.gz ASGMFNCUACDRNG-FQEVSTJZSA-N 1 0 408.521 4.131 50 0 HIAARO CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1 ZINC000011905287 558295899 /nfs/dbraw/zinc/29/58/99/558295899.db2.gz REYCWNHAXBCJSO-JOCHJYFZSA-N 1 0 405.498 4.307 50 0 HIAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000011964906 558304085 /nfs/dbraw/zinc/30/40/85/558304085.db2.gz BCMGTHAANMQRHN-RPWUZVMVSA-N 1 0 410.533 4.346 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000012028897 558310652 /nfs/dbraw/zinc/31/06/52/558310652.db2.gz NANADZKEIXCCES-UHFFFAOYSA-N 1 0 419.525 4.244 50 0 HIAARO O=C(c1ccc(Cl)cc1OC1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCCC1 ZINC000012073856 558318639 /nfs/dbraw/zinc/31/86/39/558318639.db2.gz KUGSQGTWFOSETQ-QGZVFWFLSA-N 1 0 408.995 4.315 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F ZINC000012090912 558324232 /nfs/dbraw/zinc/32/42/32/558324232.db2.gz PYKAFPKIRLJGSO-FQEVSTJZSA-N 1 0 400.513 4.311 50 0 HIAARO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cc(C)ccc4C)CC3)c2c1 ZINC000020177584 558343986 /nfs/dbraw/zinc/34/39/86/558343986.db2.gz MXOJEAKASRKBMG-UHFFFAOYSA-N 1 0 406.526 4.126 50 0 HIAARO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(C)c1O ZINC000012201690 558351450 /nfs/dbraw/zinc/35/14/50/558351450.db2.gz DHXIJRBOHRSJRC-HXUWFJFHSA-N 1 0 404.514 4.045 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1cccc(OC(F)(F)F)c1 ZINC000012217957 558354619 /nfs/dbraw/zinc/35/46/19/558354619.db2.gz GPROJVBZJZJSCJ-SFHVURJKSA-N 1 0 422.447 4.135 50 0 HIAARO Cc1cccn2c(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012303383 558372850 /nfs/dbraw/zinc/37/28/50/558372850.db2.gz VYEWSXMGCQBBFS-YADHBBJMSA-N 1 0 416.569 4.332 50 0 HIAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012303942 558373431 /nfs/dbraw/zinc/37/34/31/558373431.db2.gz YVPAHZZHFUHTJI-QHCPKHFHSA-N 1 0 409.555 4.322 50 0 HIAARO COc1cc(C[NH2+][C@@H]2CN3CCC2CC3)ccc1OCc1c(F)cccc1Cl ZINC000020477243 558374551 /nfs/dbraw/zinc/37/45/51/558374551.db2.gz RTRSMTYIYSLLOY-HXUWFJFHSA-N 1 0 404.913 4.251 50 0 HIAARO O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012317694 558381055 /nfs/dbraw/zinc/38/10/55/558381055.db2.gz RSLWFKNNYAWWIT-OAHLLOKOSA-N 1 0 420.460 4.002 50 0 HIAARO O=C(NCCC[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1)Nc1ccccc1 ZINC000020512436 558382361 /nfs/dbraw/zinc/38/23/61/558382361.db2.gz SRXJGQOCSRPOHK-UHFFFAOYSA-N 1 0 420.479 4.035 50 0 HIAARO Cc1ccccc1CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012431695 558406193 /nfs/dbraw/zinc/40/61/93/558406193.db2.gz DYKCWGIXSFDIRL-UHFFFAOYSA-N 1 0 415.537 4.363 50 0 HIAARO COc1ccc([C@H](CNC(=O)C2=C(c3ccccc3)SCCO2)[NH+]2CCCC2)cc1 ZINC000020745652 558410533 /nfs/dbraw/zinc/41/05/33/558410533.db2.gz FIEQTUVOTIPNSC-NRFANRHFSA-N 1 0 424.566 4.081 50 0 HIAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000012449142 558415833 /nfs/dbraw/zinc/41/58/33/558415833.db2.gz HWEKKQQOZKKSEJ-HSZRJFAPSA-N 1 0 423.511 4.177 50 0 HIAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874715 558418901 /nfs/dbraw/zinc/41/89/01/558418901.db2.gz CDWRNYFEZXXVAF-HNNXBMFYSA-N 1 0 408.336 4.206 50 0 HIAARO CCCOc1c(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)cc1OC ZINC000020934227 558424411 /nfs/dbraw/zinc/42/44/11/558424411.db2.gz GUPXJXDRZIWBBG-UHFFFAOYSA-N 1 0 408.292 4.265 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1OC ZINC000012579445 558432070 /nfs/dbraw/zinc/43/20/70/558432070.db2.gz ZMMABDRZOHLBGB-HXUWFJFHSA-N 1 0 422.525 4.229 50 0 HIAARO CC(C)c1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1 ZINC000012585444 558433867 /nfs/dbraw/zinc/43/38/67/558433867.db2.gz SEGPUDBCAIALBM-UHFFFAOYSA-N 1 0 403.530 4.491 50 0 HIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1F ZINC000012588158 558434885 /nfs/dbraw/zinc/43/48/85/558434885.db2.gz WFSFYIOELMUTLW-IBGZPJMESA-N 1 0 407.489 4.330 50 0 HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1F ZINC000012588152 558434920 /nfs/dbraw/zinc/43/49/20/558434920.db2.gz WFSFYIOELMUTLW-LJQANCHMSA-N 1 0 407.489 4.330 50 0 HIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccccc1F)C1CC1 ZINC000004357415 558445874 /nfs/dbraw/zinc/44/58/74/558445874.db2.gz RSLSIIKVCZDYQB-QHCPKHFHSA-N 1 0 408.517 4.388 50 0 HIAARO CSc1nc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cs1 ZINC000012704102 558448938 /nfs/dbraw/zinc/44/89/38/558448938.db2.gz NEUUTLSOGPMGIZ-UHFFFAOYSA-N 1 0 407.580 4.031 50 0 HIAARO CCc1ccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NC3CC3)CC2)cc1 ZINC000012755889 558460061 /nfs/dbraw/zinc/46/00/61/558460061.db2.gz ULQOJOIUPSYLFO-UHFFFAOYSA-N 1 0 408.542 4.193 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794533 558467746 /nfs/dbraw/zinc/46/77/46/558467746.db2.gz FKAUAKAPAYJVPS-SQJMNOBHSA-N 1 0 408.542 4.328 50 0 HIAARO Cc1cc2occ(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c2cc1C(C)C ZINC000022237021 558471070 /nfs/dbraw/zinc/47/10/70/558471070.db2.gz UKGVZROZDFUWJZ-UHFFFAOYSA-N 1 0 406.530 4.193 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000022279052 558475794 /nfs/dbraw/zinc/47/57/94/558475794.db2.gz BNSMTLMERSPTJJ-UHFFFAOYSA-N 1 0 424.932 4.318 50 0 HIAARO CC(=O)c1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000012835278 558477813 /nfs/dbraw/zinc/47/78/13/558477813.db2.gz SJXCSQZUJYCAQG-OAQYLSRUSA-N 1 0 418.603 4.227 50 0 HIAARO Cc1noc(C)c1COc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000022610748 558501867 /nfs/dbraw/zinc/50/18/67/558501867.db2.gz GIOUSYFCDBUHST-UHFFFAOYSA-N 1 0 419.525 4.219 50 0 HIAARO O[C@@H](COc1ccc2oc3ccccc3c2c1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022860292 558517621 /nfs/dbraw/zinc/51/76/21/558517621.db2.gz WINFWSHMWZKUIE-OAQYLSRUSA-N 1 0 416.521 4.144 50 0 HIAARO C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022912708 558520003 /nfs/dbraw/zinc/52/00/03/558520003.db2.gz MRJJBUDMZWFBIA-KRWDZBQOSA-N 1 0 419.541 4.189 50 0 HIAARO CN1CC[NH+](C(C)(C)CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000022933602 558525470 /nfs/dbraw/zinc/52/54/70/558525470.db2.gz NOSMRULKJGDGRI-UHFFFAOYSA-N 1 0 415.994 4.450 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)C1 ZINC000023762190 558574734 /nfs/dbraw/zinc/57/47/34/558574734.db2.gz YBKCMRIFTZBEEV-LJQANCHMSA-N 1 0 402.608 4.229 50 0 HIAARO CCOc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccccc1Cl ZINC000013728096 558585364 /nfs/dbraw/zinc/58/53/64/558585364.db2.gz NTKXWGLKRWEDMV-UHFFFAOYSA-N 1 0 416.949 4.420 50 0 HIAARO C[NH2+]CCCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013736453 558588648 /nfs/dbraw/zinc/58/86/48/558588648.db2.gz YDXDTMPQTIRUAQ-UHFFFAOYSA-N 1 0 402.130 4.171 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)Nc3ccccc3C(F)(F)F)c3n2CCC3)cc1 ZINC000013758638 558590793 /nfs/dbraw/zinc/59/07/93/558590793.db2.gz YQWKKRCQLATFNF-UHFFFAOYSA-O 1 0 416.423 4.055 50 0 HIAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000013758901 558590803 /nfs/dbraw/zinc/59/08/03/558590803.db2.gz QPJHFYHVBGKHGY-ICDZXHCJSA-N 1 0 408.542 4.310 50 0 HIAARO COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C)c1O)[C@@H](C)N(C)CC2 ZINC000024718378 558608803 /nfs/dbraw/zinc/60/88/03/558608803.db2.gz PWFLHIQSZMYWPN-HUUCEWRRSA-N 1 0 412.530 4.300 50 0 HIAARO O=C(c1cc2c(s1)n(-c1ccccc1)nc2C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000013961107 558608969 /nfs/dbraw/zinc/60/89/69/558608969.db2.gz XSTMCDHTGMLDOV-AWEZNQCLSA-N 1 0 420.460 4.026 50 0 HIAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000014532242 558656386 /nfs/dbraw/zinc/65/63/86/558656386.db2.gz BWJUUFDHWORTAZ-UHFFFAOYSA-N 1 0 421.532 4.266 50 0 HIAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+](C)CCC13CC4CC(CC(C4)C1)C3)C2 ZINC000014535435 558658099 /nfs/dbraw/zinc/65/80/99/558658099.db2.gz AJPJYRPIUWZPAP-FMSQDJPCSA-N 1 0 424.633 4.052 50 0 HIAARO O=C([C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000014740449 558666493 /nfs/dbraw/zinc/66/64/93/558666493.db2.gz JVOZETGPVZXFAL-WIOPSUGQSA-N 1 0 418.581 4.315 50 0 HIAARO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026922170 558667240 /nfs/dbraw/zinc/66/72/40/558667240.db2.gz FAWGBSGUTQJLDH-OAHLLOKOSA-N 1 0 409.313 4.484 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)[NH+]2CCCCCC2)cc1 ZINC000027582925 558675929 /nfs/dbraw/zinc/67/59/29/558675929.db2.gz OUCCYILTGWIPHC-QGZVFWFLSA-N 1 0 421.335 4.398 50 0 HIAARO CC(C)CC[NH2+][C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000014882393 558676515 /nfs/dbraw/zinc/67/65/15/558676515.db2.gz XTRWYWNPLPEVFJ-SFHVURJKSA-N 1 0 407.583 4.291 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950711 558681082 /nfs/dbraw/zinc/68/10/82/558681082.db2.gz RDFAZHNVPJSAGS-HXUWFJFHSA-N 1 0 413.631 4.417 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)/C(F)=C/c1ccccc1 ZINC000014955770 558682424 /nfs/dbraw/zinc/68/24/24/558682424.db2.gz YZSIWGYSXGKOLP-CJSSZYOBSA-N 1 0 408.517 4.327 50 0 HIAARO Cc1noc(C)c1CCC(=O)NCC1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000014959930 558683635 /nfs/dbraw/zinc/68/36/35/558683635.db2.gz RLVXQCZUDSUGKK-UHFFFAOYSA-N 1 0 417.553 4.010 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)c1ccc(F)cc1 ZINC000014989492 558693857 /nfs/dbraw/zinc/69/38/57/558693857.db2.gz OUKMGQJUZIWFRS-QHCPKHFHSA-N 1 0 410.533 4.202 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)n1 ZINC000028290514 558696722 /nfs/dbraw/zinc/69/67/22/558696722.db2.gz JTXKRWUXWHPPII-MRXNPFEDSA-N 1 0 406.983 4.182 50 0 HIAARO O=C(CC1CCCC1)N1CCC[C@@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000014999191 558696985 /nfs/dbraw/zinc/69/69/85/558696985.db2.gz DFOACCXIBWFRGC-JOCHJYFZSA-N 1 0 416.631 4.433 50 0 HIAARO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)oc2c1C ZINC000028292301 558698057 /nfs/dbraw/zinc/69/80/57/558698057.db2.gz HWNXYZMZEKBSOX-NRFANRHFSA-N 1 0 404.510 4.367 50 0 HIAARO NC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000015061723 558704882 /nfs/dbraw/zinc/70/48/82/558704882.db2.gz BIBZBHXYSGHHDX-HNNXBMFYSA-N 1 0 412.896 4.029 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1 ZINC000015064121 558706720 /nfs/dbraw/zinc/70/67/20/558706720.db2.gz HPCIHNJDJOCECV-OAQYLSRUSA-N 1 0 422.569 4.071 50 0 HIAARO OC[C@]1(CCCc2ccccc2)CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000015066418 558709355 /nfs/dbraw/zinc/70/93/55/558709355.db2.gz YPDPKVCIQWGTHB-AREMUKBSSA-N 1 0 407.602 4.143 50 0 HIAARO COc1cccc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000029316502 558713147 /nfs/dbraw/zinc/71/31/47/558713147.db2.gz PUNNOAYHVIBJTA-UHFFFAOYSA-N 1 0 403.526 4.423 50 0 HIAARO CO[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000015072548 558713791 /nfs/dbraw/zinc/71/37/91/558713791.db2.gz CLLRQILJXGZRGT-HXUWFJFHSA-N 1 0 420.981 4.377 50 0 HIAARO COc1ccc(NC(=O)CCC2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC000015075511 558716091 /nfs/dbraw/zinc/71/60/91/558716091.db2.gz FVKIKTSHLXUKNJ-IBGZPJMESA-N 1 0 418.578 4.340 50 0 HIAARO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1OC ZINC000004555318 558724283 /nfs/dbraw/zinc/72/42/83/558724283.db2.gz PAMQTNGQIKRATH-LJQANCHMSA-N 1 0 401.532 4.351 50 0 HIAARO c1cc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCCO4)cc2)cc2c1OCO2 ZINC000015356902 558735648 /nfs/dbraw/zinc/73/56/48/558735648.db2.gz BMDQXXHAHMLNNR-UHFFFAOYSA-N 1 0 405.450 4.055 50 0 HIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1F ZINC000016195846 558778068 /nfs/dbraw/zinc/77/80/68/558778068.db2.gz CIKOVJZLRXJGJD-INIZCTEOSA-N 1 0 424.310 4.444 50 0 HIAARO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004279536 558780709 /nfs/dbraw/zinc/78/07/09/558780709.db2.gz RSXFMHFYIPOTDZ-HXUWFJFHSA-N 1 0 404.348 4.144 50 0 HIAARO Cc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000016739314 558802993 /nfs/dbraw/zinc/80/29/93/558802993.db2.gz JPTBRXMIERWULB-NRFANRHFSA-N 1 0 400.340 4.408 50 0 HIAARO CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000013573554 558844802 /nfs/dbraw/zinc/84/48/02/558844802.db2.gz PQZWZSQBGGMYCO-GBOYVHCVSA-N 1 0 407.643 4.114 50 0 HIAARO Brc1ccc(-c2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn2)cc1 ZINC000055102117 558872515 /nfs/dbraw/zinc/87/25/15/558872515.db2.gz JXRZEFOMCPGXMP-UHFFFAOYSA-N 1 0 409.331 4.228 50 0 HIAARO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000058130787 558900368 /nfs/dbraw/zinc/90/03/68/558900368.db2.gz SYVMXEJQABWLPM-FQEVSTJZSA-N 1 0 422.960 4.476 50 0 HIAARO CCCCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000058441388 558927606 /nfs/dbraw/zinc/92/76/06/558927606.db2.gz KARJZMKORLHFKJ-UHFFFAOYSA-N 1 0 414.546 4.110 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1 ZINC000033261036 558927660 /nfs/dbraw/zinc/92/76/60/558927660.db2.gz UUYTXTZEPWZRFG-UHFFFAOYSA-N 1 0 403.530 4.267 50 0 HIAARO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031392 558985363 /nfs/dbraw/zinc/98/53/63/558985363.db2.gz XKMHUPMHVSUKQK-JXFKEZNVSA-N 1 0 402.995 4.004 50 0 HIAARO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067602100 558987882 /nfs/dbraw/zinc/98/78/82/558987882.db2.gz AKRKLKKAZHRTTC-UHFFFAOYSA-N 1 0 410.905 4.258 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000022421398 558991469 /nfs/dbraw/zinc/99/14/69/558991469.db2.gz BSCGIATXOHEIJM-QFIPXVFZSA-N 1 0 408.542 4.160 50 0 HIAARO CC[C@H]([NH3+])C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(Oc3cccnc3)c12 ZINC000077454723 559005662 /nfs/dbraw/zinc/00/56/62/559005662.db2.gz CFDZYFKIFCCMII-KRWDZBQOSA-N 1 0 405.433 4.028 50 0 HIAARO CC1CC[NH+](CCCNC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000033278927 559042278 /nfs/dbraw/zinc/04/22/78/559042278.db2.gz UDRVRWZFOJELDN-UHFFFAOYSA-N 1 0 404.514 4.255 50 0 HIAARO O=C(c1cccc2cccnc21)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095377859 559080356 /nfs/dbraw/zinc/08/03/56/559080356.db2.gz VCZGYWCRTNHHHF-QPTUXGOLSA-N 1 0 401.485 4.076 50 0 HIAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2ccc4[nH]ccc4c2)CC3)c1 ZINC000095511778 559083976 /nfs/dbraw/zinc/08/39/76/559083976.db2.gz HOSDPOLCVYLOGQ-UHFFFAOYSA-N 1 0 403.526 4.191 50 0 HIAARO C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903310 559088748 /nfs/dbraw/zinc/08/87/48/559088748.db2.gz BHBWNYBKKMRJJJ-BWKNWUBXSA-N 1 0 423.576 4.099 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccnc1SC(F)F ZINC000011556572 559101994 /nfs/dbraw/zinc/10/19/94/559101994.db2.gz BPNLYPXJMIQFOT-UHFFFAOYSA-N 1 0 419.501 4.340 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000004863234 559193365 /nfs/dbraw/zinc/19/33/65/559193365.db2.gz MAJDYENNHADPAW-IBGZPJMESA-N 1 0 412.331 4.415 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004903105 559200011 /nfs/dbraw/zinc/20/00/11/559200011.db2.gz UESPLQLIAMSYST-HXUWFJFHSA-N 1 0 405.498 4.161 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(C)c1)S2 ZINC000004952479 559215937 /nfs/dbraw/zinc/21/59/37/559215937.db2.gz NXFIUUQTIPXCBL-KGENOOAVSA-N 1 0 409.555 4.152 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000004954890 559216484 /nfs/dbraw/zinc/21/64/84/559216484.db2.gz IPMGNYYKOOGGAS-QFIPXVFZSA-N 1 0 421.541 4.449 50 0 HIAARO CCOCCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000005043752 559236328 /nfs/dbraw/zinc/23/63/28/559236328.db2.gz QLVBRRVXMGRMJY-UHFFFAOYSA-N 1 0 419.953 4.058 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1cccc(OC)c1)c1nc2c(cccc2OC)s1 ZINC000005121960 559248491 /nfs/dbraw/zinc/24/84/91/559248491.db2.gz JLWUQJOWGMNJJS-UHFFFAOYSA-N 1 0 413.543 4.302 50 0 HIAARO CC(C)[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000248182424 559268436 /nfs/dbraw/zinc/26/84/36/559268436.db2.gz ZNVMMBFMXDBEFA-SQJMNOBHSA-N 1 0 408.542 4.498 50 0 HIAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCCN(Cc2c(F)ccc(F)c2F)C1 ZINC000011935824 559268606 /nfs/dbraw/zinc/26/86/06/559268606.db2.gz UNAQTRYZFHWIFL-OAHLLOKOSA-N 1 0 414.431 4.345 50 0 HIAARO Cc1ccc([C@H](C)CC[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)o1 ZINC000011950262 559268982 /nfs/dbraw/zinc/26/89/82/559268982.db2.gz PBFJBJZIKJOTPG-QGZVFWFLSA-N 1 0 407.518 4.263 50 0 HIAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)Cc3ccccc3)nc21 ZINC000005256932 560550851 /nfs/dbraw/zinc/55/08/51/560550851.db2.gz KSGKLKYQSAZNSD-UHFFFAOYSA-N 1 0 417.962 4.486 50 0 HIAARO CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000062581998 560632033 /nfs/dbraw/zinc/63/20/33/560632033.db2.gz VCWORKIBBHLLMB-FXAWDEMLSA-N 1 0 417.500 4.384 50 0 HIAARO Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000526052356 560639758 /nfs/dbraw/zinc/63/97/58/560639758.db2.gz BHJAVPVHIGROFR-RDTXWAMCSA-N 1 0 404.352 4.233 50 0 HIAARO Cc1ccc(-c2nc(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)cs2)cc1 ZINC000024576584 560854147 /nfs/dbraw/zinc/85/41/47/560854147.db2.gz WQAZSMZWTKZHOJ-UHFFFAOYSA-N 1 0 420.582 4.360 50 0 HIAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4ccccc4OC)nn3cnc21 ZINC000044928696 560897926 /nfs/dbraw/zinc/89/79/26/560897926.db2.gz QZTLMLIUTWYAIO-UHFFFAOYSA-N 1 0 406.534 4.103 50 0 HIAARO CCCCc1nn2c(nc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)cc2=O)s1 ZINC000046032218 568424713 /nfs/dbraw/zinc/42/47/13/568424713.db2.gz UCUXQYJLZYUOPA-UHFFFAOYSA-N 1 0 402.539 4.291 50 0 HIAARO COc1cccc([C@H](CNC(=O)Nc2ccc(N3CCCCC3)nc2)[NH+]2CCCC2)c1 ZINC000048324769 568438370 /nfs/dbraw/zinc/43/83/70/568438370.db2.gz VTPDDKHSZVAERK-QFIPXVFZSA-N 1 0 423.561 4.039 50 0 HIAARO COc1cccc(C(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1OC ZINC000000782998 568475095 /nfs/dbraw/zinc/47/50/95/568475095.db2.gz WCDFRABOWXDRNG-UHFFFAOYSA-N 1 0 408.542 4.188 50 0 HIAARO CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000003180023 568478027 /nfs/dbraw/zinc/47/80/27/568478027.db2.gz LKAADAUCCZSVPQ-UHFFFAOYSA-N 1 0 416.543 4.102 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N(C)Cc3ccccc3)cc12 ZINC000020153683 568590869 /nfs/dbraw/zinc/59/08/69/568590869.db2.gz ZQJAMYMLFJUKST-UHFFFAOYSA-N 1 0 419.598 4.124 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000390829556 568591942 /nfs/dbraw/zinc/59/19/42/568591942.db2.gz ZTCUOFRRIABOEV-JVSAHFFESA-N 1 0 423.557 4.290 50 0 HIAARO Cc1ccc(-c2noc([C@H](C)N(C)C3CC[NH+](CCc4ccncc4)CC3)n2)cc1F ZINC000095459786 568619777 /nfs/dbraw/zinc/61/97/77/568619777.db2.gz GZPXTFRVZBIGNH-SFHVURJKSA-N 1 0 423.536 4.279 50 0 HIAARO FC(F)(F)c1cccc([C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccncc2)c1 ZINC000095466827 568624242 /nfs/dbraw/zinc/62/42/42/568624242.db2.gz LAGPQNCFGNIGHB-OAQYLSRUSA-N 1 0 415.463 4.340 50 0 HIAARO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000040156940 568626652 /nfs/dbraw/zinc/62/66/52/568626652.db2.gz YFEPZFCGTISYNO-MRXNPFEDSA-N 1 0 411.575 4.345 50 0 HIAARO CCC[NH+](CCC)CCNC(=O)c1c(C)nn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979367 568654361 /nfs/dbraw/zinc/65/43/61/568654361.db2.gz SIFJPFAROPQPAY-UHFFFAOYSA-N 1 0 407.562 4.132 50 0 HIAARO CC(C)[S@](=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000225758931 568671714 /nfs/dbraw/zinc/67/17/14/568671714.db2.gz MTFBKAWOTQJTNJ-MNNSJKJDSA-N 1 0 412.599 4.233 50 0 HIAARO FC(F)(F)c1cnc(OCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c(Cl)c1 ZINC000095985139 568675893 /nfs/dbraw/zinc/67/58/93/568675893.db2.gz BUHFHBODGWGIPT-MGPQQGTHSA-N 1 0 412.930 4.492 50 0 HIAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445145 568726138 /nfs/dbraw/zinc/72/61/38/568726138.db2.gz HBSDGYCMKJUUGD-DEOSSOPVSA-N 1 0 408.521 4.199 50 0 HIAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000000872210 568730554 /nfs/dbraw/zinc/73/05/54/568730554.db2.gz HTNCSMOCMPJDQT-UHFFFAOYSA-N 1 0 408.542 4.188 50 0 HIAARO COc1ccc(CC[NH2+]Cc2nn(Cc3ccccc3F)nc2-c2ccccc2)cc1 ZINC000247937313 568746177 /nfs/dbraw/zinc/74/61/77/568746177.db2.gz VRVVUJOUSRPFBK-UHFFFAOYSA-N 1 0 416.500 4.473 50 0 HIAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](C)CC2)o1 ZINC000000934793 568751634 /nfs/dbraw/zinc/75/16/34/568751634.db2.gz WTYFULIJGJITQY-KRWDZBQOSA-N 1 0 416.319 4.316 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000012456898 568754556 /nfs/dbraw/zinc/75/45/56/568754556.db2.gz CHHZJKJDBIEPMC-UHFFFAOYSA-N 1 0 404.967 4.180 50 0 HIAARO Cn1ncc2c1nc(NC1CC[NH+](Cc3ccccc3)CC1)nc2Nc1ccccc1 ZINC000021929014 568761636 /nfs/dbraw/zinc/76/16/36/568761636.db2.gz TXBHMBAUVFAXKD-UHFFFAOYSA-N 1 0 413.529 4.183 50 0 HIAARO COc1ccc(CCN(C)c2cc3c(c[nH+]2)CCN3Cc2ccccc2)cc1OC ZINC000096594021 568763515 /nfs/dbraw/zinc/76/35/15/568763515.db2.gz MLFGEFFTCGSBDY-UHFFFAOYSA-N 1 0 403.526 4.340 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000025538306 568775458 /nfs/dbraw/zinc/77/54/58/568775458.db2.gz OJVYKXGYEFKIMM-UHFFFAOYSA-N 1 0 410.905 4.308 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056806281 568816806 /nfs/dbraw/zinc/81/68/06/568816806.db2.gz VCNANYSAMDDBJK-HXUWFJFHSA-N 1 0 417.912 4.267 50 0 HIAARO Clc1ccccc1Cn1nc(C[NH2+]CCCn2ccnc2)c(-c2ccccc2)n1 ZINC000261492027 568820345 /nfs/dbraw/zinc/82/03/45/568820345.db2.gz QBDSHCZBEMMOBD-UHFFFAOYSA-N 1 0 406.921 4.023 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000003053986 568851547 /nfs/dbraw/zinc/85/15/47/568851547.db2.gz KZCZHZMVUVRKGP-LTGZKZEYSA-N 1 0 409.555 4.234 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3sc4nc(C)nc(C)c4c3C)c(C)c2)CC1 ZINC000029962405 568854057 /nfs/dbraw/zinc/85/40/57/568854057.db2.gz YMFLVERXNKNPQS-UHFFFAOYSA-N 1 0 423.586 4.319 50 0 HIAARO COc1ccc([N+]2=C3CCc4ccccc4N3C[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000003185597 568860412 /nfs/dbraw/zinc/86/04/12/568860412.db2.gz PXBZVFCIGOYDFW-RUZDIDTESA-N 1 0 401.486 4.058 50 0 HIAARO CC[C@@H](C)CCCC[N+]1=C2SCCCN2[C@@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000003227409 568864295 /nfs/dbraw/zinc/86/42/95/568864295.db2.gz BSNNKOCTOAMLPY-IERDGZPVSA-N 1 0 413.554 4.471 50 0 HIAARO CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012594586 568868852 /nfs/dbraw/zinc/86/88/52/568868852.db2.gz GVFCKDNEQLHXQE-UHFFFAOYSA-N 1 0 407.558 4.339 50 0 HIAARO CC(C)(C)c1cc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)n(-c2ccccc2)n1 ZINC000058024037 568878130 /nfs/dbraw/zinc/87/81/30/568878130.db2.gz VTEGQOAYFLZJCY-UHFFFAOYSA-N 1 0 423.605 4.059 50 0 HIAARO C[C@@H](NC(=O)NCc1ccccc1CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000058158660 568893826 /nfs/dbraw/zinc/89/38/26/568893826.db2.gz MPUXRJPKFACMIO-HXUWFJFHSA-N 1 0 416.569 4.148 50 0 HIAARO O=c1c2c(C[NH+]3CCCCC3)c(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1 ZINC000263618740 568912029 /nfs/dbraw/zinc/91/20/29/568912029.db2.gz VHLVBYJDWGOOKI-UHFFFAOYSA-N 1 0 416.500 4.336 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012739587 568926845 /nfs/dbraw/zinc/92/68/45/568926845.db2.gz OAFYCCUPBQGOIK-ZDUSSCGKSA-N 1 0 406.313 4.410 50 0 HIAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)=O)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275274 568962412 /nfs/dbraw/zinc/96/24/12/568962412.db2.gz OGNQJJUXOFQVCB-UHFFFAOYSA-N 1 0 414.527 4.149 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000007989526 568966434 /nfs/dbraw/zinc/96/64/34/568966434.db2.gz KBEVXMSISOXWSI-OAQYLSRUSA-N 1 0 424.976 4.104 50 0 HIAARO CCOc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015727040 568978402 /nfs/dbraw/zinc/97/84/02/568978402.db2.gz PJKAXXYHPCWYJC-UHFFFAOYSA-N 1 0 408.477 4.129 50 0 HIAARO Cc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1C1CCCCC1 ZINC000008208876 568982691 /nfs/dbraw/zinc/98/26/91/568982691.db2.gz DOTLMFISRUTHGT-UHFFFAOYSA-N 1 0 413.591 4.418 50 0 HIAARO CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107868 568992065 /nfs/dbraw/zinc/99/20/65/568992065.db2.gz DOFKULVNRMZKAN-DENIHFKCSA-N 1 0 423.605 4.101 50 0 HIAARO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccc1 ZINC000038545806 568999593 /nfs/dbraw/zinc/99/95/93/568999593.db2.gz LWFIPIXUCMRUKR-XMMPIXPASA-N 1 0 403.526 4.127 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649391 569005591 /nfs/dbraw/zinc/00/55/91/569005591.db2.gz SAXJTRZRAUFYQI-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnc(-c3cccc4ccccc43)nc2)C[C@H]1CCO ZINC000106685084 569009189 /nfs/dbraw/zinc/00/91/89/569009189.db2.gz JTMAFUBXZNQERR-JOCHJYFZSA-N 1 0 418.585 4.212 50 0 HIAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000026121780 569017520 /nfs/dbraw/zinc/01/75/20/569017520.db2.gz RJARZCHYZPQGNK-UHFFFAOYSA-N 1 0 420.557 4.484 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(-c2ccccc2)cc1 ZINC000012914314 569022126 /nfs/dbraw/zinc/02/21/26/569022126.db2.gz RWOWDCUHWFDXHU-HNNXBMFYSA-N 1 0 419.550 4.292 50 0 HIAARO CCOc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016261804 569030320 /nfs/dbraw/zinc/03/03/20/569030320.db2.gz QATPUBSXGUQZEG-FQEVSTJZSA-N 1 0 413.905 4.390 50 0 HIAARO Cn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000016261788 569030338 /nfs/dbraw/zinc/03/03/38/569030338.db2.gz WRYQNKAKTUYQKV-INIZCTEOSA-N 1 0 409.795 4.492 50 0 HIAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(F)cc2)c1 ZINC000035372511 569033845 /nfs/dbraw/zinc/03/38/45/569033845.db2.gz LCBTTXDUAGILAB-UHFFFAOYSA-N 1 0 424.545 4.129 50 0 HIAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)c(C)c1 ZINC000035372620 569033890 /nfs/dbraw/zinc/03/38/90/569033890.db2.gz RYIKWTNSNHHWIB-UHFFFAOYSA-N 1 0 420.582 4.298 50 0 HIAARO Fc1cccc(-c2noc(-c3ccc(N4CCC([NH+]5CCCCC5)CC4)nc3)n2)c1 ZINC000035461218 569038271 /nfs/dbraw/zinc/03/82/71/569038271.db2.gz OIZUNZUOWRKOJO-UHFFFAOYSA-N 1 0 407.493 4.392 50 0 HIAARO CCN(CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccccc1 ZINC000035506722 569040914 /nfs/dbraw/zinc/04/09/14/569040914.db2.gz IWUNSIRIQAQAMY-UHFFFAOYSA-N 1 0 406.555 4.339 50 0 HIAARO Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCC[NH+]4CCCC4)n3)o2)cc1 ZINC000035560917 569044948 /nfs/dbraw/zinc/04/49/48/569044948.db2.gz DVGCCJJQOMWDPJ-UHFFFAOYSA-N 1 0 400.486 4.163 50 0 HIAARO O=C(/C=C/c1cccc(Cl)c1Cl)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000032999982 569047913 /nfs/dbraw/zinc/04/79/13/569047913.db2.gz WJFYEJGSTXIJLF-MOEXGYKKSA-N 1 0 411.354 4.258 50 0 HIAARO O=C(Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1)NCC[NH+]1CCCCC1 ZINC000035830160 569061903 /nfs/dbraw/zinc/06/19/03/569061903.db2.gz LOGBGFVRDLTKIR-UHFFFAOYSA-N 1 0 419.491 4.462 50 0 HIAARO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000054302602 569070181 /nfs/dbraw/zinc/07/01/81/569070181.db2.gz JOMRKERZHWGBBJ-UHFFFAOYSA-N 1 0 418.932 4.100 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000005067576 569071716 /nfs/dbraw/zinc/07/17/16/569071716.db2.gz AFVHOTLUOMGGJX-UHFFFAOYSA-N 1 0 407.558 4.209 50 0 HIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000006616557 569074743 /nfs/dbraw/zinc/07/47/43/569074743.db2.gz ICFSBXVJHBOWSJ-KRWDZBQOSA-N 1 0 405.907 4.326 50 0 HIAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000006660478 569083201 /nfs/dbraw/zinc/08/32/01/569083201.db2.gz BTNNFGTZMRUYBQ-HXUWFJFHSA-N 1 0 424.932 4.349 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095757 569090043 /nfs/dbraw/zinc/09/00/43/569090043.db2.gz JDTYBGMLYBSYNJ-DEOSSOPVSA-N 1 0 421.537 4.284 50 0 HIAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccc(Cl)cc2)c1OC ZINC000036097083 569090266 /nfs/dbraw/zinc/09/02/66/569090266.db2.gz DMGAYWFIYWYLHN-IBGZPJMESA-N 1 0 407.938 4.255 50 0 HIAARO Cc1cccc(OCc2nc(CN(CC[NH+]3CCCC3)C(=O)C(C)C)cs2)c1C ZINC000036107113 569093258 /nfs/dbraw/zinc/09/32/58/569093258.db2.gz XZDXJBKGTVYTMU-UHFFFAOYSA-N 1 0 415.603 4.419 50 0 HIAARO CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000006708635 569095596 /nfs/dbraw/zinc/09/55/96/569095596.db2.gz HCASHCBXZXDSKV-JOCHJYFZSA-N 1 0 411.521 4.460 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341824 569141640 /nfs/dbraw/zinc/14/16/40/569141640.db2.gz LHUSIVTYHUMTPL-KKSFZXQISA-N 1 0 423.488 4.107 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036341352 569142029 /nfs/dbraw/zinc/14/20/29/569142029.db2.gz VXRPAUHUZFFSCH-SBUREZEXSA-N 1 0 409.505 4.386 50 0 HIAARO C[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000036344428 569142689 /nfs/dbraw/zinc/14/26/89/569142689.db2.gz URIWXZIOQSDGQX-QFIPXVFZSA-N 1 0 419.525 4.358 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344960 569143046 /nfs/dbraw/zinc/14/30/46/569143046.db2.gz BZDIUNUFDAETLD-XMMPIXPASA-N 1 0 405.542 4.413 50 0 HIAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000065010119 569153443 /nfs/dbraw/zinc/15/34/43/569153443.db2.gz DLVALCLJNRPQCY-UHFFFAOYSA-N 1 0 410.518 4.484 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000006877319 569164104 /nfs/dbraw/zinc/16/41/04/569164104.db2.gz LMBWMDCBBNSTPN-UHFFFAOYSA-N 1 0 421.541 4.166 50 0 HIAARO CC(C)c1nc(-n2cccc2)sc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065118594 569182148 /nfs/dbraw/zinc/18/21/48/569182148.db2.gz JPFMGBMJJUSGMP-UHFFFAOYSA-N 1 0 408.571 4.235 50 0 HIAARO Clc1ccccc1C[N@@H+]1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065257949 569209951 /nfs/dbraw/zinc/20/99/51/569209951.db2.gz SXXPZZUCGPHEGU-UHFFFAOYSA-N 1 0 409.921 4.375 50 0 HIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000007128156 569224276 /nfs/dbraw/zinc/22/42/76/569224276.db2.gz YJJLCONTOHQTCK-FQEVSTJZSA-N 1 0 403.873 4.365 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000007263644 569230815 /nfs/dbraw/zinc/23/08/15/569230815.db2.gz KZRMPBSEPYFSII-QFIPXVFZSA-N 1 0 422.500 4.436 50 0 HIAARO COc1ccc(Br)cc1CN(C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000007266346 569230964 /nfs/dbraw/zinc/23/09/64/569230964.db2.gz DZFPCXCLNITQQQ-UHFFFAOYSA-N 1 0 418.287 4.210 50 0 HIAARO O=C(COc1coc(C[NH+]2CCCC2)cc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000071283980 569251956 /nfs/dbraw/zinc/25/19/56/569251956.db2.gz AVWNUURWDVFSSP-UHFFFAOYSA-N 1 0 420.465 4.045 50 0 HIAARO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Cl)c1 ZINC000089702557 569262867 /nfs/dbraw/zinc/26/28/67/569262867.db2.gz VASBXQLMHLENJR-NRFANRHFSA-N 1 0 408.933 4.473 50 0 HIAARO O=C(Cc1csc(Nc2ccccc2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016850096 569265816 /nfs/dbraw/zinc/26/58/16/569265816.db2.gz SBKXMILLUCZMSB-UHFFFAOYSA-N 1 0 406.555 4.210 50 0 HIAARO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000089887969 569267707 /nfs/dbraw/zinc/26/77/07/569267707.db2.gz BRTRQCKQXGUAQK-BEFAXECRSA-N 1 0 421.379 4.325 50 0 HIAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCCCC2)cc1 ZINC000017041130 569272259 /nfs/dbraw/zinc/27/22/59/569272259.db2.gz XTITWAMKPNUDPX-XMMPIXPASA-N 1 0 403.526 4.189 50 0 HIAARO CC(C)c1nc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)nn1-c1c(Cl)cccc1Cl ZINC000170677257 569297948 /nfs/dbraw/zinc/29/79/48/569297948.db2.gz DDOAGPMNYXIMRO-HNNXBMFYSA-N 1 0 412.365 4.143 50 0 HIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2ccc(Br)cc21 ZINC000253408884 569366470 /nfs/dbraw/zinc/36/64/70/569366470.db2.gz LEOAVWRWLJPXEN-PKOBYXMFSA-N 1 0 418.379 4.127 50 0 HIAARO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)o2)cc1C ZINC000027594333 569375610 /nfs/dbraw/zinc/37/56/10/569375610.db2.gz KPJBMSIZFXAPIC-OAQYLSRUSA-N 1 0 409.505 4.449 50 0 HIAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002375470 569389401 /nfs/dbraw/zinc/38/94/01/569389401.db2.gz YBNIKHCPJSLZSS-QGZVFWFLSA-N 1 0 419.525 4.236 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002439201 569400177 /nfs/dbraw/zinc/40/01/77/569400177.db2.gz PMQUKWIZDCXPJU-HXUWFJFHSA-N 1 0 410.901 4.333 50 0 HIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369600 569412613 /nfs/dbraw/zinc/41/26/13/569412613.db2.gz AXKFFULCBFYYIX-BGYRXZFFSA-N 1 0 404.558 4.473 50 0 HIAARO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000079021153 569424325 /nfs/dbraw/zinc/42/43/25/569424325.db2.gz GMCATTBXXSYSKS-UHFFFAOYSA-N 1 0 400.498 4.130 50 0 HIAARO Fc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067667 571134622 /nfs/dbraw/zinc/13/46/22/571134622.db2.gz QFJPLCSOBVFTHL-DEOSSOPVSA-N 1 0 423.511 4.034 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000040144353 571194721 /nfs/dbraw/zinc/19/47/21/571194721.db2.gz RLHQFRZAJSVMIO-UHFFFAOYSA-N 1 0 420.532 4.083 50 0 HIAARO Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)c(F)c2)c(C)s1 ZINC000040157513 571204273 /nfs/dbraw/zinc/20/42/73/571204273.db2.gz WYMMNIQHWKXWPH-UHFFFAOYSA-N 1 0 417.550 4.248 50 0 HIAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000245225096 571217314 /nfs/dbraw/zinc/21/73/14/571217314.db2.gz MNNOYICWPVJMDY-MJBXVCDLSA-N 1 0 424.916 4.385 50 0 HIAARO C[NH+](C)CCCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCO3 ZINC000009151925 571230695 /nfs/dbraw/zinc/23/06/95/571230695.db2.gz HCZSWXBLURNFKE-UHFFFAOYSA-N 1 0 423.947 4.338 50 0 HIAARO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccc(F)c(F)c3)n2)cc1 ZINC000009154222 571231605 /nfs/dbraw/zinc/23/16/05/571231605.db2.gz OGQQOFFUKMIGRI-GFCCVEGCSA-N 1 0 403.454 4.386 50 0 HIAARO CCOC(=O)c1cc2cc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccc2s1 ZINC000069582789 571231941 /nfs/dbraw/zinc/23/19/41/571231941.db2.gz XIHGZMJUBLZGNP-KRWDZBQOSA-N 1 0 401.532 4.170 50 0 HIAARO NC(=O)c1ccc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000069663105 571237355 /nfs/dbraw/zinc/23/73/55/571237355.db2.gz JFGYPZOLMBGDPN-LJQANCHMSA-N 1 0 422.916 4.259 50 0 HIAARO Cc1ccc(-n2ncc(C(=O)Nc3cc(F)ccc3F)c2C2CC[NH2+]CC2)cc1C ZINC000009227219 571239192 /nfs/dbraw/zinc/23/91/92/571239192.db2.gz GGQFQRCMXKGQFP-UHFFFAOYSA-N 1 0 410.468 4.487 50 0 HIAARO CC1(C)CC(NC(=O)C(=O)Nc2c3ccccc3[nH]c2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000009340942 571249839 /nfs/dbraw/zinc/24/98/39/571249839.db2.gz QGQNVJQKSXWRHA-UHFFFAOYSA-N 1 0 418.541 4.199 50 0 HIAARO COc1ccc(-c2oc3ncn(CC[NH+](C)C)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000009577336 571269902 /nfs/dbraw/zinc/26/99/02/571269902.db2.gz UVJKAIYJMOJWKN-UHFFFAOYSA-N 1 0 418.497 4.022 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000009931973 571290838 /nfs/dbraw/zinc/29/08/38/571290838.db2.gz FJGKMVHUEDBGOG-UHFFFAOYSA-N 1 0 406.555 4.451 50 0 HIAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000010109539 571295240 /nfs/dbraw/zinc/29/52/40/571295240.db2.gz BPQSSZZPPCCBPC-UHFFFAOYSA-N 1 0 408.590 4.337 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccccc1 ZINC000010233225 571297666 /nfs/dbraw/zinc/29/76/66/571297666.db2.gz BNQHOBOQUTUOOJ-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333742 571300581 /nfs/dbraw/zinc/30/05/81/571300581.db2.gz BMZQBEJVNHCWLI-NRFANRHFSA-N 1 0 409.917 4.159 50 0 HIAARO Cn1cc([C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[NH+](C)C)c2ccccc21 ZINC000077200993 571313318 /nfs/dbraw/zinc/31/33/18/571313318.db2.gz QGSDJOCGJARHBU-LJQANCHMSA-N 1 0 405.420 4.110 50 0 HIAARO Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc1C ZINC000034922057 571316695 /nfs/dbraw/zinc/31/66/95/571316695.db2.gz MTXFEKUHQAWVOT-HXUWFJFHSA-N 1 0 416.525 4.329 50 0 HIAARO COc1cc(C[NH+]2CCC(N(C(C)=O)c3ccc(C)c(F)c3)CC2)cc(OC)c1 ZINC000037560534 571317539 /nfs/dbraw/zinc/31/75/39/571317539.db2.gz NLYBUOZWSKUSGK-UHFFFAOYSA-N 1 0 400.494 4.169 50 0 HIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3c(C)nn(C(C)C)c3C)[N@@H+]3CCC[C@@]23C1=O ZINC000011814838 845836378 /nfs/dbraw/zinc/83/63/78/845836378.db2.gz ODNBBMKSZCMTGP-WATLYSKOSA-N 1 0 422.573 4.027 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000011844415 845838062 /nfs/dbraw/zinc/83/80/62/845838062.db2.gz XJOSBRGTBLUHIL-MRXNPFEDSA-N 1 0 412.452 4.221 50 0 HIAARO COc1ccc(C[NH+]2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)c2ccccc12 ZINC000011910603 845839992 /nfs/dbraw/zinc/83/99/92/845839992.db2.gz XJEKIROWVPSUPV-RUZDIDTESA-N 1 0 423.557 4.075 50 0 HIAARO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC000012198687 845859598 /nfs/dbraw/zinc/85/95/98/845859598.db2.gz RTPXMZUKAWAOMU-QHCPKHFHSA-N 1 0 411.509 4.414 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000012299227 845865880 /nfs/dbraw/zinc/86/58/80/845865880.db2.gz GJQFKRNCJGQMFA-MRXNPFEDSA-N 1 0 401.494 4.399 50 0 HIAARO COc1ccc(CC[NH2+][C@@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)cc1 ZINC000012331497 845868394 /nfs/dbraw/zinc/86/83/94/845868394.db2.gz IKXXWWXVDJTMNL-HXUWFJFHSA-N 1 0 408.521 4.277 50 0 HIAARO CCc1ccc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000012373771 845868491 /nfs/dbraw/zinc/86/84/91/845868491.db2.gz IJGLEDYHLNBEJG-HSZRJFAPSA-N 1 0 423.601 4.225 50 0 HIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000012448140 845870971 /nfs/dbraw/zinc/87/09/71/845870971.db2.gz SPRRXNFYVBTYJA-KRWDZBQOSA-N 1 0 412.584 4.393 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)C2)c1 ZINC000012434162 845871535 /nfs/dbraw/zinc/87/15/35/845871535.db2.gz UYRHFLSOFWRRAY-VWLOTQADSA-N 1 0 418.541 4.008 50 0 HIAARO COc1cc2cc(C[NH2+]Cc3cccnc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012451671 845872305 /nfs/dbraw/zinc/87/23/05/845872305.db2.gz BVVQPVRKCBAULC-UHFFFAOYSA-N 1 0 421.541 4.284 50 0 HIAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012716199 845885250 /nfs/dbraw/zinc/88/52/50/845885250.db2.gz ACEBDVMGZIEHJD-OAQYLSRUSA-N 1 0 413.525 4.419 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1Cc1cccc(C(F)(F)F)c1 ZINC000014886860 845989809 /nfs/dbraw/zinc/98/98/09/845989809.db2.gz SOLPBZJPVPLZPC-IBGZPJMESA-N 1 0 406.448 4.255 50 0 HIAARO COCc1ccc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@H+](C)C4)n3)s2)o1 ZINC000014975705 845995564 /nfs/dbraw/zinc/99/55/64/845995564.db2.gz CTYFCYDZPWBRSO-MRXNPFEDSA-N 1 0 415.563 4.008 50 0 HIAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(OCCO)cc2)Cc2ccccc2O1 ZINC000014985697 845997208 /nfs/dbraw/zinc/99/72/08/845997208.db2.gz IUTGRZJSIVBQSV-VWLOTQADSA-N 1 0 405.494 4.202 50 0 HIAARO C[N@H+](CCc1ccccc1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015002387 845998789 /nfs/dbraw/zinc/99/87/89/845998789.db2.gz HEPSIQHITYTNSS-IBGZPJMESA-N 1 0 414.933 4.124 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-c2ccsc2)nc1N1CCCC1 ZINC000020149258 846381129 /nfs/dbraw/zinc/38/11/29/846381129.db2.gz VCZFFCBUHVNIAI-PGRDOPGGSA-N 1 0 424.614 4.405 50 0 HIAARO O=C(c1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1)N1CCCC1 ZINC000020256663 846382036 /nfs/dbraw/zinc/38/20/36/846382036.db2.gz JRCCVCJUBMCWHG-HSZRJFAPSA-N 1 0 415.541 4.018 50 0 HIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+]2CCC[C@H](c3nncn3C)C2)o1 ZINC000020513387 846385274 /nfs/dbraw/zinc/38/52/74/846385274.db2.gz QPZYGUAJJFGBKI-KRWDZBQOSA-N 1 0 420.492 4.088 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3nc(-c4ccccc4)no3)C2)cc1 ZINC000023339154 846686844 /nfs/dbraw/zinc/68/68/44/846686844.db2.gz HRPNAJSVRMQDHA-NRFANRHFSA-N 1 0 420.557 4.132 50 0 HIAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000055371438 850007847 /nfs/dbraw/zinc/00/78/47/850007847.db2.gz ROKBMCVPKUXHNP-FQEVSTJZSA-N 1 0 400.592 4.180 50 0 HIAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3c(C)nn(-c4ccc(F)cc4)c3C)C2)c1 ZINC000067458089 852366678 /nfs/dbraw/zinc/36/66/78/852366678.db2.gz DRWLHODOEXJNIJ-JOCHJYFZSA-N 1 0 422.548 4.391 50 0 HIAARO CN(C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000096639688 852554212 /nfs/dbraw/zinc/55/42/12/852554212.db2.gz OXKWTCHMBPRQJR-YPKPFQOOSA-N 1 0 400.526 4.105 50 0 HIAARO COc1ccc([C@@H](CNC(=O)/C=C\c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000096904524 852557355 /nfs/dbraw/zinc/55/73/55/852557355.db2.gz RJHOJJMRZQFZEO-UXENDKHNSA-N 1 0 404.510 4.289 50 0 HIAARO O=C(c1ccc(Cl)cc1)N1CCC([N@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000169759092 853657403 /nfs/dbraw/zinc/65/74/03/853657403.db2.gz XXVQACYOEGKKLR-UHFFFAOYSA-N 1 0 413.949 4.021 50 0 HIAARO Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]([N@H+](Cc2ccccc2)C2CC2)CCO3)cn1 ZINC000169776758 853663578 /nfs/dbraw/zinc/66/35/78/853663578.db2.gz RLDYAYUBLSMRKA-XMMPIXPASA-N 1 0 419.569 4.208 50 0 HIAARO c1sc(-c2ccc3c(c2)OCO3)nc1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000236621646 853903873 /nfs/dbraw/zinc/90/38/73/853903873.db2.gz PDUZKVGNEMCMRU-UHFFFAOYSA-N 1 0 423.538 4.026 50 0 HIAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2 ZINC000299758536 854280511 /nfs/dbraw/zinc/28/05/11/854280511.db2.gz JWEVTKLDKBURDI-UHFFFAOYSA-N 1 0 422.554 4.015 50 0 HIAARO Cc1nc(N2CCC([N@@H+]3CCCN(c4ccccc4)CC3)CC2)nc2ccc(F)cc12 ZINC000299770607 854280714 /nfs/dbraw/zinc/28/07/14/854280714.db2.gz WUKXOUMRRJBGSV-UHFFFAOYSA-N 1 0 419.548 4.258 50 0 HIAARO Cc1c(C[N@@H+]2CC[C@@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)cnn1C ZINC000575313486 948642118 /nfs/dbraw/zinc/64/21/18/948642118.db2.gz LBRXGLMKDJNSBV-JOCHJYFZSA-N 1 0 415.497 4.099 50 0 HIAARO CO[C@H]1CN(C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)[C@H]1c1ccncc1 ZINC000575553795 948679750 /nfs/dbraw/zinc/67/97/50/948679750.db2.gz IUVFWBAWRCNNCA-SFTDATJTSA-N 1 0 421.463 4.017 50 0 HIAARO Cc1cc(OCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)ccc1Cl ZINC000003553092 132266830 /nfs/dbraw/zinc/26/68/30/132266830.db2.gz UUMHQYBAOCOJLC-UHFFFAOYSA-N 1 0 408.329 4.071 50 0 HIAARO CCCC[N@H+](C)CCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000004712651 132285606 /nfs/dbraw/zinc/28/56/06/132285606.db2.gz XLFNYWXTARDUKB-XLNRJJMWSA-N 1 0 423.582 4.015 50 0 HIAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=S)Nc3c(C)cccc3C)CC2)c1 ZINC000004792042 132288913 /nfs/dbraw/zinc/28/89/13/132288913.db2.gz RLROLSPBDNRJGD-UHFFFAOYSA-N 1 0 410.631 4.419 50 0 HIAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@H+](C)C1CCCCC1 ZINC000004917840 132294223 /nfs/dbraw/zinc/29/42/23/132294223.db2.gz FQPQNHTXQNWJHG-UHFFFAOYSA-N 1 0 412.530 4.126 50 0 HIAARO Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000005518219 132306555 /nfs/dbraw/zinc/30/65/55/132306555.db2.gz MKOHQJXGGAFTQJ-UHFFFAOYSA-N 1 0 411.553 4.356 50 0 HIAARO Cc1ccc(C)c(N2CCN(c3c4ccccc4oc(=O)c3C[NH+]3CCCC3)CC2)c1 ZINC000007504117 132324819 /nfs/dbraw/zinc/32/48/19/132324819.db2.gz VSPQWJKGTHZDHZ-UHFFFAOYSA-N 1 0 417.553 4.332 50 0 HIAARO C[C@@H](Cc1cncs1)[NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000011982843 132352821 /nfs/dbraw/zinc/35/28/21/132352821.db2.gz WRXYAIDBZGETFO-KRWDZBQOSA-N 1 0 412.603 4.461 50 0 HIAARO C[C@H]([NH2+]C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1)c1cccs1 ZINC000012205585 132356729 /nfs/dbraw/zinc/35/67/29/132356729.db2.gz HUOMVGXFMREDGM-SFHVURJKSA-N 1 0 420.582 4.393 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012564734 132364248 /nfs/dbraw/zinc/36/42/48/132364248.db2.gz DTRBTNWWFLFVQB-FQEVSTJZSA-N 1 0 415.537 4.480 50 0 HIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccccc1C ZINC000040720448 520714854 /nfs/dbraw/zinc/71/48/54/520714854.db2.gz OSKRJRVMSVHRAY-UHFFFAOYSA-N 1 0 421.379 4.386 50 0 HIAARO CCC(CC)[C@H](CNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1)[NH+]1CCCC1 ZINC000044142160 521616985 /nfs/dbraw/zinc/61/69/85/521616985.db2.gz LIHUDUBOMKKXBQ-NRFANRHFSA-N 1 0 414.594 4.253 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720691 521638891 /nfs/dbraw/zinc/63/88/91/521638891.db2.gz CWQRKZGZASEJAH-OAQYLSRUSA-N 1 0 415.965 4.240 50 0 HIAARO CC[NH+]1CCN(CCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 ZINC000020573423 521683533 /nfs/dbraw/zinc/68/35/33/521683533.db2.gz RDZIXHJUVALFHN-UHFFFAOYSA-N 1 0 412.917 4.130 50 0 HIAARO CC[C@H](CNC(=O)c1cc(OC)ccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000032446226 522185587 /nfs/dbraw/zinc/18/55/87/522185587.db2.gz PKEGURPYYZUMDK-QGZVFWFLSA-N 1 0 417.347 4.024 50 0 HIAARO COc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1cccc(C)c1 ZINC000040744270 522447624 /nfs/dbraw/zinc/44/76/24/522447624.db2.gz MNVHONKXVFRTHQ-UHFFFAOYSA-N 1 0 408.336 4.207 50 0 HIAARO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040744037 525782357 /nfs/dbraw/zinc/78/23/57/525782357.db2.gz ZSGNHMUTTAJDIH-NSHDSACASA-N 1 0 402.691 4.291 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000043991388 526157766 /nfs/dbraw/zinc/15/77/66/526157766.db2.gz PQJYKKVLDQEVGD-UHFFFAOYSA-N 1 0 418.990 4.469 50 0 HIAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575529 526295633 /nfs/dbraw/zinc/29/56/33/526295633.db2.gz KHGZDNJAVOCWMR-UHFFFAOYSA-N 1 0 402.498 4.484 50 0 HIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765699 526491662 /nfs/dbraw/zinc/49/16/62/526491662.db2.gz VQXIIIBEXZOOMF-QHCPKHFHSA-N 1 0 400.526 4.317 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000007719202 536424899 /nfs/dbraw/zinc/42/48/99/536424899.db2.gz VXDSADANYNOUGU-UHFFFAOYSA-N 1 0 404.539 4.237 50 0 HIAARO COc1ccc2[nH+]c(C)cc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000006787726 537048067 /nfs/dbraw/zinc/04/80/67/537048067.db2.gz JGZSJQKBIFNHDR-UHFFFAOYSA-N 1 0 402.420 4.292 50 0 HIAARO C[NH+]1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1 ZINC000000537906 557018345 /nfs/dbraw/zinc/01/83/45/557018345.db2.gz QDGIAPPCJRFVEK-UHFFFAOYSA-N 1 0 410.297 4.415 50 0 in-man HIAARO Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000071887774 557267126 /nfs/dbraw/zinc/26/71/26/557267126.db2.gz ZLBRNVOEQWBFBX-UHFFFAOYSA-N 1 0 419.491 4.264 50 0 HIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCCOc1ccc(Br)cc1 ZINC000002082536 557310430 /nfs/dbraw/zinc/31/04/30/557310430.db2.gz BLZMTXKDCRAJFA-MRXNPFEDSA-N 1 0 402.373 4.010 50 0 HIAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002514746 557353746 /nfs/dbraw/zinc/35/37/46/557353746.db2.gz VAYBAEOQJLCKOI-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4cccc(F)c4)cc3)CC2)cc1 ZINC000034668281 557362097 /nfs/dbraw/zinc/36/20/97/557362097.db2.gz ANDTUMBSTFHNSE-UHFFFAOYSA-N 1 0 417.528 4.386 50 0 HIAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000034682682 557384601 /nfs/dbraw/zinc/38/46/01/557384601.db2.gz DLNTZKGOHMDGSJ-UHFFFAOYSA-N 1 0 401.510 4.402 50 0 HIAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C ZINC000004223013 557529900 /nfs/dbraw/zinc/52/99/00/557529900.db2.gz NBJBRNUOBADIFL-UHFFFAOYSA-N 1 0 400.563 4.047 50 0 HIAARO O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000004299547 557537335 /nfs/dbraw/zinc/53/73/35/557537335.db2.gz QFXJMJMXMCEUKU-IBGZPJMESA-N 1 0 403.910 4.210 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)ccc1OCc1ccccc1 ZINC000004745270 557591694 /nfs/dbraw/zinc/59/16/94/557591694.db2.gz VCXVLGREISECBB-QHCPKHFHSA-N 1 0 422.569 4.499 50 0 HIAARO CC1(C)CC(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCC5)CC(C)(C)[NH2+]1 ZINC000006758016 557719526 /nfs/dbraw/zinc/71/95/26/557719526.db2.gz MWMJXCJYGVXGLP-UHFFFAOYSA-N 1 0 416.949 4.396 50 0 HIAARO CCc1ccc([C@@H](CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)[NH+](C)C)cc1 ZINC000022684349 557766796 /nfs/dbraw/zinc/76/67/96/557766796.db2.gz ZHOJYGHLUMBPKS-HSZRJFAPSA-N 1 0 420.553 4.324 50 0 HIAARO CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697212 557784012 /nfs/dbraw/zinc/78/40/12/557784012.db2.gz JMQWUYJMNWBOKX-RUZDIDTESA-N 1 0 417.553 4.102 50 0 HIAARO Cc1c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cnn1-c1ccc(F)cc1F ZINC000011668180 558269969 /nfs/dbraw/zinc/26/99/69/558269969.db2.gz FPUZFZQRFMKRNP-MRXNPFEDSA-N 1 0 411.500 4.169 50 0 HIAARO CCn1ccnc1CN(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754209 558273081 /nfs/dbraw/zinc/27/30/81/558273081.db2.gz GLHFNZKFUABOLK-IBGZPJMESA-N 1 0 408.512 4.308 50 0 HIAARO CCn1ccnc1CN(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754210 558273141 /nfs/dbraw/zinc/27/31/41/558273141.db2.gz GLHFNZKFUABOLK-LJQANCHMSA-N 1 0 408.512 4.308 50 0 HIAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)cc1OC ZINC000011782281 558274927 /nfs/dbraw/zinc/27/49/27/558274927.db2.gz UFXGDCNBPKOKTK-JOCHJYFZSA-N 1 0 422.569 4.055 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4cccs4)cc3OC)C2)CC1 ZINC000011814705 558278954 /nfs/dbraw/zinc/27/89/54/558278954.db2.gz XBXAZXMXBVCRMK-UHFFFAOYSA-N 1 0 416.543 4.239 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)COc1ccccc1 ZINC000011815080 558279042 /nfs/dbraw/zinc/27/90/42/558279042.db2.gz RSHGSCQBJWTOQA-FQEVSTJZSA-N 1 0 400.950 4.132 50 0 HIAARO COC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011817356 558280582 /nfs/dbraw/zinc/28/05/82/558280582.db2.gz KWEVTJRVAPRRQD-NRFANRHFSA-N 1 0 405.498 4.269 50 0 HIAARO Cc1ccnc(C[C@@H](C)[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1 ZINC000011821542 558284857 /nfs/dbraw/zinc/28/48/57/558284857.db2.gz MOVNOGBYUIQVEO-OAQYLSRUSA-N 1 0 421.585 4.491 50 0 HIAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2ccncc2)CC1)N1CCCCC1 ZINC000011821401 558284866 /nfs/dbraw/zinc/28/48/66/558284866.db2.gz IEPHTWOUZMLEKA-UHFFFAOYSA-N 1 0 413.949 4.405 50 0 HIAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844090 558288860 /nfs/dbraw/zinc/28/88/60/558288860.db2.gz GXLXCIVCODYYFW-QGZVFWFLSA-N 1 0 420.022 4.321 50 0 HIAARO O=C(CCC(F)(F)F)NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000011969920 558304526 /nfs/dbraw/zinc/30/45/26/558304526.db2.gz FDCSGDYOAWGSFQ-IBGZPJMESA-N 1 0 412.496 4.092 50 0 HIAARO COCCN(C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)C(C)C ZINC000011999222 558307701 /nfs/dbraw/zinc/30/77/01/558307701.db2.gz JPMXACHRPUNHOW-UHFFFAOYSA-N 1 0 424.585 4.270 50 0 HIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnccn4)C3)C2)cc1 ZINC000012052719 558314631 /nfs/dbraw/zinc/31/46/31/558314631.db2.gz QSOPSUBRLFQWCY-RUZDIDTESA-N 1 0 406.574 4.047 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012056379 558315927 /nfs/dbraw/zinc/31/59/27/558315927.db2.gz QFOPGACATALYJV-LJQANCHMSA-N 1 0 405.542 4.203 50 0 HIAARO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 ZINC000012057260 558316442 /nfs/dbraw/zinc/31/64/42/558316442.db2.gz QNHVHHSBNMYBGG-UHFFFAOYSA-N 1 0 415.497 4.079 50 0 HIAARO O=C(c1cccc(F)c1F)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012091178 558324229 /nfs/dbraw/zinc/32/42/29/558324229.db2.gz ULASNRFLOCGOID-LJQANCHMSA-N 1 0 406.517 4.241 50 0 HIAARO COc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)c1 ZINC000012112055 558326374 /nfs/dbraw/zinc/32/63/74/558326374.db2.gz ABJSREYYGHZJPU-LJQANCHMSA-N 1 0 411.546 4.122 50 0 HIAARO COC(=O)c1sc2nc(C[N@H+](C)C(C)C)ccc2c1NC(=O)c1ccc(F)cc1 ZINC000012134634 558333494 /nfs/dbraw/zinc/33/34/94/558333494.db2.gz PIXRTJLSRFWCTB-UHFFFAOYSA-N 1 0 415.490 4.315 50 0 HIAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020109712 558335060 /nfs/dbraw/zinc/33/50/60/558335060.db2.gz QJGBTVONGGUJRV-OAQYLSRUSA-N 1 0 402.966 4.199 50 0 HIAARO COC(=O)CC[C@@H](C)[NH+]1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000012200724 558351247 /nfs/dbraw/zinc/35/12/47/558351247.db2.gz STYYZSGGFZPSHJ-OAHLLOKOSA-N 1 0 424.969 4.053 50 0 HIAARO O=C(C[C@@H](c1cccc(O)c1)c1ccccc1O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000012203072 558351951 /nfs/dbraw/zinc/35/19/51/558351951.db2.gz IWQXARWYHKUIHA-QHCPKHFHSA-N 1 0 408.542 4.097 50 0 HIAARO CN(Cc1ccc(Oc2ncccn2)cc1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020387195 558359121 /nfs/dbraw/zinc/35/91/21/558359121.db2.gz ZXSUISCHSSZNFM-HSZRJFAPSA-N 1 0 414.553 4.333 50 0 HIAARO O=C(CCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000020454330 558368266 /nfs/dbraw/zinc/36/82/66/558368266.db2.gz SUIIKFLFUGBNTI-LJQANCHMSA-N 1 0 402.485 4.249 50 0 HIAARO C[N@@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012307551 558376123 /nfs/dbraw/zinc/37/61/23/558376123.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 1 0 407.533 4.466 50 0 HIAARO COc1ccc2c(c1)c([C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)cn2Cc1ccccc1 ZINC000012371448 558389601 /nfs/dbraw/zinc/38/96/01/558389601.db2.gz GSFIOFVQXMOAMD-HSZRJFAPSA-N 1 0 422.492 4.144 50 0 HIAARO CCN(Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012429328 558404129 /nfs/dbraw/zinc/40/41/29/558404129.db2.gz MWXMOILSPYXCIO-OAQYLSRUSA-N 1 0 406.574 4.348 50 0 HIAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2cn3cc(Cl)ccc3n2)CC1 ZINC000012433475 558407203 /nfs/dbraw/zinc/40/72/03/558407203.db2.gz JPUFMSOMGPYHIA-UHFFFAOYSA-N 1 0 410.949 4.014 50 0 HIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000012434622 558408647 /nfs/dbraw/zinc/40/86/47/558408647.db2.gz MOELUZHLPAJFFC-FQEVSTJZSA-N 1 0 407.533 4.344 50 0 HIAARO COc1ccc([C@@H](CNC(=O)C2=C(c3ccccc3)SCCO2)[NH+]2CCCC2)cc1 ZINC000020745651 558410501 /nfs/dbraw/zinc/41/05/01/558410501.db2.gz FIEQTUVOTIPNSC-OAQYLSRUSA-N 1 0 424.566 4.081 50 0 HIAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012440293 558411419 /nfs/dbraw/zinc/41/14/19/558411419.db2.gz WIMOQNNYGHSPBT-HNNXBMFYSA-N 1 0 422.476 4.248 50 0 HIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000012448833 558415564 /nfs/dbraw/zinc/41/55/64/558415564.db2.gz FAPLJUXKNSNVMW-UHFFFAOYSA-N 1 0 403.482 4.430 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873828 558418381 /nfs/dbraw/zinc/41/83/81/558418381.db2.gz HKXYEMWPZLNGNK-QGZVFWFLSA-N 1 0 408.336 4.206 50 0 HIAARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c(OC)c1C ZINC000012465603 558420417 /nfs/dbraw/zinc/42/04/17/558420417.db2.gz ZGVGFVIOYTVILF-UHFFFAOYSA-N 1 0 403.950 4.483 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc2c1OCO2 ZINC000012465727 558420503 /nfs/dbraw/zinc/42/05/03/558420503.db2.gz MSCVXEWMMPFVSN-MRXNPFEDSA-N 1 0 414.477 4.194 50 0 HIAARO C[NH+](C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000004345118 558427224 /nfs/dbraw/zinc/42/72/24/558427224.db2.gz ORQHMQZQSGJSJQ-UHFFFAOYSA-N 1 0 409.342 4.199 50 0 HIAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](CCc4ccccc4)CC3)c2)s1 ZINC000012718979 558456477 /nfs/dbraw/zinc/45/64/77/558456477.db2.gz JLOILAFXTCKQDU-UHFFFAOYSA-N 1 0 406.555 4.407 50 0 HIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cc4ccccc4oc3=O)nc21 ZINC000004359706 558456849 /nfs/dbraw/zinc/45/68/49/558456849.db2.gz VIEYZWBXLUSXFE-UHFFFAOYSA-N 1 0 421.522 4.310 50 0 HIAARO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)cc1OC ZINC000004359689 558456855 /nfs/dbraw/zinc/45/68/55/558456855.db2.gz VNBCAGBCDYALEE-UHFFFAOYSA-N 1 0 413.543 4.220 50 0 HIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3c(F)cccc3F)nc21 ZINC000004359744 558457037 /nfs/dbraw/zinc/45/70/37/558457037.db2.gz NNSSLGWHMOWTKV-UHFFFAOYSA-N 1 0 405.470 4.182 50 0 HIAARO Cc1ccc2nc(C)c(CC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)c(=O)n2c1 ZINC000022063671 558461122 /nfs/dbraw/zinc/46/11/22/558461122.db2.gz UVJBJGOMUWKXDI-UHFFFAOYSA-N 1 0 420.488 4.014 50 0 in-vitro HIAARO CC(C)[C@H]([NH2+]CC(=O)N1CC=C(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012794655 558467727 /nfs/dbraw/zinc/46/77/27/558467727.db2.gz NVKOOQUKXFJGOP-SANMLTNESA-N 1 0 420.553 4.451 50 0 HIAARO CN(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccccc1 ZINC000022384885 558485242 /nfs/dbraw/zinc/48/52/42/558485242.db2.gz DHLKTJMVYVBSBP-VWLOTQADSA-N 1 0 411.553 4.197 50 0 HIAARO CC(C)c1ccc(C[NH+]2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000022771401 558508664 /nfs/dbraw/zinc/50/86/64/558508664.db2.gz VQNUEYAGQUMFOK-UHFFFAOYSA-N 1 0 410.949 4.018 50 0 HIAARO COc1ccc(OCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925372 558522839 /nfs/dbraw/zinc/52/28/39/558522839.db2.gz DUCIWUDRKWGUIR-UHFFFAOYSA-N 1 0 402.538 4.481 50 0 HIAARO CCOc1ccccc1-c1nc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000023076376 558533176 /nfs/dbraw/zinc/53/31/76/558533176.db2.gz HSEGYZMMIDVLQO-IBGZPJMESA-N 1 0 421.566 4.142 50 0 HIAARO CN(C(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1)C1CCCCC1 ZINC000023159156 558539875 /nfs/dbraw/zinc/53/98/75/558539875.db2.gz XCFLTOWLROVCIX-UHFFFAOYSA-N 1 0 413.606 4.029 50 0 HIAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)cc1 ZINC000023469460 558559216 /nfs/dbraw/zinc/55/92/16/558559216.db2.gz XFBFCRRVUBGEKB-UHFFFAOYSA-N 1 0 410.945 4.494 50 0 HIAARO CC(=O)c1cc(CCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)oc1C ZINC000023846033 558577723 /nfs/dbraw/zinc/57/77/23/558577723.db2.gz ZHBXQNIHJFQXNI-UHFFFAOYSA-N 1 0 404.510 4.221 50 0 HIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717743 558580340 /nfs/dbraw/zinc/58/03/40/558580340.db2.gz LTSGTJOCVVTLNN-KRWDZBQOSA-N 1 0 401.470 4.314 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730654 558586450 /nfs/dbraw/zinc/58/64/50/558586450.db2.gz MLSCJTPGUAPRCP-LLVKDONJSA-N 1 0 403.114 4.332 50 0 HIAARO COc1cccc([C@H](CNC(=O)Cc2c(C)[nH]c3ccc(F)cc32)[NH+]2CCCC2)c1 ZINC000024537694 558600656 /nfs/dbraw/zinc/60/06/56/558600656.db2.gz HFBPUZDLKSCIDV-QHCPKHFHSA-N 1 0 409.505 4.120 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000024602327 558602397 /nfs/dbraw/zinc/60/23/97/558602397.db2.gz WZBNKLGHUGBFFF-KRWDZBQOSA-N 1 0 423.586 4.011 50 0 HIAARO O=C(CSc1ncnc2sccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000014129157 558623684 /nfs/dbraw/zinc/62/36/84/558623684.db2.gz PTYFUGGDFCBZFS-UHFFFAOYSA-N 1 0 404.605 4.088 50 0 HIAARO COc1ccc(C(=O)C2CC[NH+](CCOc3ccc(Br)cc3)CC2)cc1 ZINC000014136381 558624363 /nfs/dbraw/zinc/62/43/63/558624363.db2.gz NHRPWQGBKHNUSX-UHFFFAOYSA-N 1 0 418.331 4.431 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014181116 558628298 /nfs/dbraw/zinc/62/82/98/558628298.db2.gz UIJRZINMRYYAHY-UHFFFAOYSA-N 1 0 409.555 4.037 50 0 HIAARO COc1ccc([C@@H](C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)N2CCOCC2)cc1 ZINC000025262122 558636214 /nfs/dbraw/zinc/63/62/14/558636214.db2.gz IAQCSLCBAHAWLJ-OAQYLSRUSA-N 1 0 420.500 4.077 50 0 HIAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014200935 558636534 /nfs/dbraw/zinc/63/65/34/558636534.db2.gz OAKOVNVYZPJBSD-MDNUFGMLSA-N 1 0 409.526 4.050 50 0 HIAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)O1 ZINC000014879702 558675660 /nfs/dbraw/zinc/67/56/60/558675660.db2.gz XQHOMTPEOHYFQB-QGZVFWFLSA-N 1 0 402.922 4.250 50 0 HIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)cc1OC ZINC000014948409 558680295 /nfs/dbraw/zinc/68/02/95/558680295.db2.gz WZVHDYXMWNOPAJ-KRWDZBQOSA-N 1 0 405.441 4.400 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950707 558681056 /nfs/dbraw/zinc/68/10/56/558681056.db2.gz RDFAZHNVPJSAGS-FQEVSTJZSA-N 1 0 413.631 4.417 50 0 HIAARO C[NH+]1CCN([C@H](CNC(=O)Cc2cccc3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000027793789 558682835 /nfs/dbraw/zinc/68/28/35/558682835.db2.gz QCKLUSMAMMZUJF-XMMPIXPASA-N 1 0 421.972 4.141 50 0 HIAARO Cc1ncoc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000014963108 558684751 /nfs/dbraw/zinc/68/47/51/558684751.db2.gz VJLUANJOYHOHCP-KRWDZBQOSA-N 1 0 409.452 4.029 50 0 HIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000014972184 558687759 /nfs/dbraw/zinc/68/77/59/558687759.db2.gz QZPAZTORWJXFBF-KRWDZBQOSA-N 1 0 416.518 4.283 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C[C@@H](C)c3ccccc3)CC2)c1 ZINC000014973241 558688087 /nfs/dbraw/zinc/68/80/87/558688087.db2.gz BAEUDTMJGKXGPF-GOSISDBHSA-N 1 0 408.542 4.234 50 0 HIAARO O=C(NCc1ccco1)[C@@H]1CC12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014972897 558688169 /nfs/dbraw/zinc/68/81/69/558688169.db2.gz VEYUPGOKUZOIBL-FQEVSTJZSA-N 1 0 407.539 4.322 50 0 HIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)c1cccc2ccccc21 ZINC000014975033 558689049 /nfs/dbraw/zinc/68/90/49/558689049.db2.gz IREOIFBXDWDDOB-FQEVSTJZSA-N 1 0 400.522 4.417 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027995434 558689167 /nfs/dbraw/zinc/68/91/67/558689167.db2.gz FAAVQYYHWTYWAI-JXFKEZNVSA-N 1 0 402.922 4.069 50 0 HIAARO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000014979486 558690601 /nfs/dbraw/zinc/69/06/01/558690601.db2.gz KFJPQUYALCKDMT-LJQANCHMSA-N 1 0 410.587 4.300 50 0 HIAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287980 558695152 /nfs/dbraw/zinc/69/51/52/558695152.db2.gz XBWXHJDYQVDVIF-FQEVSTJZSA-N 1 0 411.933 4.113 50 0 HIAARO C[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC(=O)NC1CCCC1 ZINC000028800021 558704729 /nfs/dbraw/zinc/70/47/29/558704729.db2.gz WADRTRRNVQFRNK-UWJYYQICSA-N 1 0 418.541 4.046 50 0 HIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015066451 558709474 /nfs/dbraw/zinc/70/94/74/558709474.db2.gz FCMWGWFVFZACIG-QFIPXVFZSA-N 1 0 415.541 4.205 50 0 HIAARO Cc1ccc2cc(C[NH2+][C@@H]3CCOC(C)(C)C3)c(=O)n(CCOc3ccccc3)c2c1 ZINC000015072062 558713530 /nfs/dbraw/zinc/71/35/30/558713530.db2.gz IUHYJYQCLQJTLC-JOCHJYFZSA-N 1 0 420.553 4.436 50 0 HIAARO CC[NH+]1CCC(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 ZINC000015080061 558718364 /nfs/dbraw/zinc/71/83/64/558718364.db2.gz FWQSBOQMVJTJDS-UHFFFAOYSA-N 1 0 407.436 4.241 50 0 HIAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC ZINC000004555332 558724318 /nfs/dbraw/zinc/72/43/18/558724318.db2.gz GPJKVCMAIPRVPT-LJQANCHMSA-N 1 0 401.532 4.351 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cc(C)n[nH]4)C3)cc2)c1 ZINC000015935058 558762935 /nfs/dbraw/zinc/76/29/35/558762935.db2.gz MSSFTQMFPUPUOQ-FQEVSTJZSA-N 1 0 404.514 4.244 50 0 HIAARO CC(C)[C@H](C)NC(=O)CN1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000072308662 558769855 /nfs/dbraw/zinc/76/98/55/558769855.db2.gz VRQZHMSFJMHLPT-KBXCAEBGSA-N 1 0 408.468 4.393 50 0 HIAARO O[C@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000034675306 558782855 /nfs/dbraw/zinc/78/28/55/558782855.db2.gz BQWNDSDANVLCTC-YADARESESA-N 1 0 423.534 4.002 50 0 HIAARO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Br)cc1 ZINC000016695396 558800820 /nfs/dbraw/zinc/80/08/20/558800820.db2.gz AJTZSXLFNJESAI-LBPRGKRZSA-N 1 0 419.241 4.284 50 0 HIAARO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCC[NH+](C)C)C3=O ZINC000016749921 558804394 /nfs/dbraw/zinc/80/43/94/558804394.db2.gz PUWSUPXZCGWGKO-FQEVSTJZSA-N 1 0 410.901 4.252 50 0 HIAARO O=C(CSc1ccc(Br)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000032983791 558804747 /nfs/dbraw/zinc/80/47/47/558804747.db2.gz ILMSSFDTBIJVPM-LJQANCHMSA-N 1 0 419.388 4.495 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2ccccc2OCCO)cc1 ZINC000039442468 558821315 /nfs/dbraw/zinc/82/13/15/558821315.db2.gz GELAGDUHGNLDJG-JOCHJYFZSA-N 1 0 421.541 4.055 50 0 HIAARO Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCCC[NH+]4CCCC4)c3)n2)c1 ZINC000033025093 558844115 /nfs/dbraw/zinc/84/41/15/558844115.db2.gz FHLDISCUHYENHB-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCN(c4cccc(C)n4)CC3)ccc2c1 ZINC000019146495 558846757 /nfs/dbraw/zinc/84/67/57/558846757.db2.gz HKFQQAUPIJMYGI-UHFFFAOYSA-N 1 0 413.525 4.264 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1)NCc1ccccc1F ZINC000019228547 558853189 /nfs/dbraw/zinc/85/31/89/558853189.db2.gz PHVRCUWRYUBLOS-FQEVSTJZSA-N 1 0 420.532 4.320 50 0 HIAARO O=C(C1CCCC1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055089061 558871835 /nfs/dbraw/zinc/87/18/35/558871835.db2.gz HUKCJIJLLVYTMW-FQEVSTJZSA-N 1 0 409.496 4.009 50 0 HIAARO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1cccnc1 ZINC000055167442 558874780 /nfs/dbraw/zinc/87/47/80/558874780.db2.gz LYPSJSZROHHBFH-UHFFFAOYSA-N 1 0 412.493 4.354 50 0 HIAARO COc1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000019361453 558876316 /nfs/dbraw/zinc/87/63/16/558876316.db2.gz CURQMIIPDRPYQZ-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cc(C)cc(C)c4)c(C)c32)CC1 ZINC000033048429 558885705 /nfs/dbraw/zinc/88/57/05/558885705.db2.gz NBTAHIQBFNDMQO-UHFFFAOYSA-N 1 0 423.586 4.401 50 0 HIAARO COc1cc(NC(=O)NCC2([NH+](C)C)CCCC2)ccc1NC(=O)OC(C)(C)C ZINC000057991955 558892816 /nfs/dbraw/zinc/89/28/16/558892816.db2.gz OIIVLMCEZBJDSL-UHFFFAOYSA-N 1 0 406.527 4.038 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000058156846 558903076 /nfs/dbraw/zinc/90/30/76/558903076.db2.gz ZYDYQERHSODUNF-UHFFFAOYSA-N 1 0 408.933 4.361 50 0 HIAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c3cccnc23)[NH+]2CCCC2)o1 ZINC000058218157 558912853 /nfs/dbraw/zinc/91/28/53/558912853.db2.gz WVCDKZWXJVMYRN-SFHVURJKSA-N 1 0 413.905 4.122 50 0 HIAARO O=C(CCCc1nc(-c2cccs2)no1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000033223173 558913105 /nfs/dbraw/zinc/91/31/05/558913105.db2.gz OOPKNIFGZMRDDH-UHFFFAOYSA-N 1 0 424.570 4.423 50 0 HIAARO Cn1cc(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266030 558915572 /nfs/dbraw/zinc/91/55/72/558915572.db2.gz HEXSWHMYDFGHMM-RPBOFIJWSA-N 1 0 401.554 4.376 50 0 HIAARO CN(C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058266317 558915727 /nfs/dbraw/zinc/91/57/27/558915727.db2.gz WCDBPWHDWTUPDL-NRFANRHFSA-N 1 0 419.491 4.203 50 0 HIAARO Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 ZINC000019606879 558946591 /nfs/dbraw/zinc/94/65/91/558946591.db2.gz BMQMRVBRFHXKMC-JOCHJYFZSA-N 1 0 418.507 4.195 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021915977 558972037 /nfs/dbraw/zinc/97/20/37/558972037.db2.gz PAVUCDHDQOALNL-UHFFFAOYSA-N 1 0 408.546 4.133 50 0 HIAARO C[C@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000072454122 558982964 /nfs/dbraw/zinc/98/29/64/558982964.db2.gz UUCVOCBKPDJKKM-IBGZPJMESA-N 1 0 400.526 4.481 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[N@H+](C)CC2)cc1OC ZINC000072469411 558983297 /nfs/dbraw/zinc/98/32/97/558983297.db2.gz HAHNUMUQHPTMLP-UHFFFAOYSA-N 1 0 405.542 4.365 50 0 HIAARO CC(C)[C@](C)([NH3+])C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067712678 558991681 /nfs/dbraw/zinc/99/16/81/558991681.db2.gz SGQFRVMIPCTHBZ-VWLOTQADSA-N 1 0 403.526 4.113 50 0 HIAARO CCOC(=O)N1CCC([NH2+]C[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)CC1 ZINC000097165680 558998588 /nfs/dbraw/zinc/99/85/88/558998588.db2.gz CUHHFLCIUQBESS-QFIPXVFZSA-N 1 0 407.514 4.057 50 0 HIAARO CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc1 ZINC000095504322 559082888 /nfs/dbraw/zinc/08/28/88/559082888.db2.gz XNAUAIVXNZKTLM-GOSISDBHSA-N 1 0 401.501 4.231 50 0 HIAARO C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903314 559088787 /nfs/dbraw/zinc/08/87/87/559088787.db2.gz BHBWNYBKKMRJJJ-PXDATVDWSA-N 1 0 423.576 4.099 50 0 HIAARO Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000011544195 559089622 /nfs/dbraw/zinc/08/96/22/559089622.db2.gz ZFOQSFSTEKJPQT-NRFANRHFSA-N 1 0 408.571 4.000 50 0 HIAARO N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000004817101 559115213 /nfs/dbraw/zinc/11/52/13/559115213.db2.gz DMLJGAWKRFYLFK-HXUWFJFHSA-N 1 0 419.356 4.058 50 0 HIAARO CCCN(CC)C(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023321394 559126209 /nfs/dbraw/zinc/12/62/09/559126209.db2.gz OSHRJBNERBNLTL-UHFFFAOYSA-N 1 0 416.569 4.429 50 0 HIAARO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000023701907 559179283 /nfs/dbraw/zinc/17/92/83/559179283.db2.gz JDJSVWMSCLZVJH-FGZHOGPDSA-N 1 0 406.526 4.131 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000004904960 559200543 /nfs/dbraw/zinc/20/05/43/559200543.db2.gz PDCMQEPTHANHER-UHFFFAOYSA-N 1 0 422.573 4.070 50 0 HIAARO C[NH+](C)CCNC(=O)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000033559459 559212682 /nfs/dbraw/zinc/21/26/82/559212682.db2.gz ARQDVUQNQUHXEB-UHFFFAOYSA-N 1 0 414.509 4.100 50 0 HIAARO O[C@@H](C[NH2+]C[C@@H]1CCCO1)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004982991 559223799 /nfs/dbraw/zinc/22/37/99/559223799.db2.gz XUFNDGLDAHPAQG-PMACEKPBSA-N 1 0 410.341 4.229 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005091872 559243919 /nfs/dbraw/zinc/24/39/19/559243919.db2.gz VGSRHLPIAYRICC-HXUWFJFHSA-N 1 0 407.514 4.059 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCCC2)cc1 ZINC000005262105 560552950 /nfs/dbraw/zinc/55/29/50/560552950.db2.gz ULHYPFSXGYVDGM-XMMPIXPASA-N 1 0 404.510 4.181 50 0 HIAARO CCn1c(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000005345739 560570002 /nfs/dbraw/zinc/57/00/02/560570002.db2.gz HNSCGHMIZSQVIY-UHFFFAOYSA-N 1 0 405.542 4.373 50 0 HIAARO C[NH+](C)CCCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 ZINC000005348931 560571056 /nfs/dbraw/zinc/57/10/56/560571056.db2.gz XKRPATCITJLXKG-HXUWFJFHSA-N 1 0 400.482 4.346 50 0 HIAARO Cc1ccccc1[N+]1=C2CCCCCN2C[C@]1(O)c1ccc(Br)cc1 ZINC000003068865 560588845 /nfs/dbraw/zinc/58/88/45/560588845.db2.gz VSNJTZCEJHJEEV-NRFANRHFSA-N 1 0 400.340 4.408 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000017793905 560728341 /nfs/dbraw/zinc/72/83/41/560728341.db2.gz KTGBTZFVHKFYMW-OAQYLSRUSA-N 1 0 413.949 4.280 50 0 HIAARO C[NH+](C)[C@@H](CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000101499869 560796492 /nfs/dbraw/zinc/79/64/92/560796492.db2.gz IZZZFFONUIQULV-ICBIFTLVSA-N 1 0 411.505 4.107 50 0 HIAARO Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000102850365 560830688 /nfs/dbraw/zinc/83/06/88/560830688.db2.gz LARRQCYFTYEJDE-IAQYHMDHSA-N 1 0 421.364 4.389 50 0 HIAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982873 560858933 /nfs/dbraw/zinc/85/89/33/560858933.db2.gz YCOIQORDEYDQNG-FCHUYYIVSA-N 1 0 416.949 4.121 50 0 HIAARO COc1cccc(C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104984597 560859029 /nfs/dbraw/zinc/85/90/29/560859029.db2.gz PEQQXODKAOKJSP-AOYPEHQESA-N 1 0 416.521 4.424 50 0 HIAARO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000105010781 560860248 /nfs/dbraw/zinc/86/02/48/560860248.db2.gz VHHOTAFBXIDPJK-FDDCHVKYSA-N 1 0 421.541 4.256 50 0 HIAARO CCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697494 568415473 /nfs/dbraw/zinc/41/54/73/568415473.db2.gz XADVNVSMIIGJQM-RUZDIDTESA-N 1 0 417.553 4.321 50 0 HIAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000048341243 568440399 /nfs/dbraw/zinc/44/03/99/568440399.db2.gz MNNOYICWPVJMDY-HZSPNIEDSA-N 1 0 424.916 4.385 50 0 HIAARO CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000049421020 568450421 /nfs/dbraw/zinc/45/04/21/568450421.db2.gz YQBLYEZDDAEWGS-QFIPXVFZSA-N 1 0 416.525 4.101 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2c(C)nc3ccccn32)CC1 ZINC000049523412 568452321 /nfs/dbraw/zinc/45/23/21/568452321.db2.gz IWVSZHLMRMXVNT-UHFFFAOYSA-N 1 0 408.571 4.007 50 0 HIAARO CCC[C@@H]([NH2+]CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccccc1 ZINC000049592443 568452463 /nfs/dbraw/zinc/45/24/63/568452463.db2.gz OJZILYDPFGRXQW-HSZRJFAPSA-N 1 0 419.525 4.378 50 0 HIAARO CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(CC[NH+](C)C)C(=O)C(C)(C)C ZINC000006695968 568457493 /nfs/dbraw/zinc/45/74/93/568457493.db2.gz UBTSCKSLYRQVDK-UHFFFAOYSA-N 1 0 418.626 4.064 50 0 HIAARO Cc1ncoc1C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012305334 568464430 /nfs/dbraw/zinc/46/44/30/568464430.db2.gz ITWMRTSKCKZGAG-UHFFFAOYSA-N 1 0 418.541 4.241 50 0 HIAARO COc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)ccc1OCc1csc(C)n1 ZINC000022786837 568499666 /nfs/dbraw/zinc/49/96/66/568499666.db2.gz RJFJVZAREDHYSS-GOSISDBHSA-N 1 0 401.532 4.025 50 0 HIAARO COc1ccc(C[N@H+](Cc2nc(-c3cccnc3)no2)C2CCCCC2)cc1OC ZINC000095397350 568604610 /nfs/dbraw/zinc/60/46/10/568604610.db2.gz JOGRWCIKYWATOO-UHFFFAOYSA-N 1 0 408.502 4.484 50 0 HIAARO COc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446957 568608468 /nfs/dbraw/zinc/60/84/68/568608468.db2.gz CZTTXQZGPVVVHN-GOTSBHOMSA-N 1 0 403.950 4.308 50 0 HIAARO CCOc1ccc(C[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C(=O)OC)cc1 ZINC000095467743 568624888 /nfs/dbraw/zinc/62/48/88/568624888.db2.gz RVYMDXFFDPFQQY-LJQANCHMSA-N 1 0 409.530 4.137 50 0 HIAARO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000040151179 568625157 /nfs/dbraw/zinc/62/51/57/568625157.db2.gz WZIUZVXFOICOOI-CVDCTZTESA-N 1 0 408.546 4.077 50 0 HIAARO CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762626 568642655 /nfs/dbraw/zinc/64/26/55/568642655.db2.gz DOFKULVNRMZKAN-KNQAVFIVSA-N 1 0 423.605 4.101 50 0 HIAARO COc1ccc(OC)c(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000020927065 568651599 /nfs/dbraw/zinc/65/15/99/568651599.db2.gz PILBIPSSBWSQQT-UHFFFAOYSA-N 1 0 409.530 4.006 50 0 HIAARO CCCC[N@H+](C)CCCNC(=O)c1c(C)nn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979378 568654173 /nfs/dbraw/zinc/65/41/73/568654173.db2.gz JAMJNVHPZNYQKQ-UHFFFAOYSA-N 1 0 407.562 4.132 50 0 HIAARO COc1cc(OC)cc(N2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)c1 ZINC000095943629 568662592 /nfs/dbraw/zinc/66/25/92/568662592.db2.gz SUCQGIYTPYZAOJ-UHFFFAOYSA-N 1 0 410.558 4.093 50 0 HIAARO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)Cc2cncnc2)CC1 ZINC000225672825 568662742 /nfs/dbraw/zinc/66/27/42/568662742.db2.gz ZNLQOEHMXNDWTD-OAQYLSRUSA-N 1 0 414.525 4.408 50 0 HIAARO CC(C)[S@](=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000225758964 568671903 /nfs/dbraw/zinc/67/19/03/568671903.db2.gz MTFBKAWOTQJTNJ-ZTOMLWHTSA-N 1 0 412.599 4.233 50 0 HIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000096003170 568681802 /nfs/dbraw/zinc/68/18/02/568681802.db2.gz USTKVMYEDJNJNR-FGZHOGPDSA-N 1 0 423.557 4.231 50 0 HIAARO Cc1c(Cl)cccc1N1CC[NH+](CCCOc2ccc3ccc(=O)oc3c2)CC1 ZINC000096028221 568686972 /nfs/dbraw/zinc/68/69/72/568686972.db2.gz XFDJIOHEHPGATB-UHFFFAOYSA-N 1 0 412.917 4.346 50 0 HIAARO C[C@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000013988286 568719392 /nfs/dbraw/zinc/71/93/92/568719392.db2.gz WXWDNSFQAZMDED-DOTOQJQBSA-N 1 0 423.538 4.082 50 0 HIAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000237818269 568725863 /nfs/dbraw/zinc/72/58/63/568725863.db2.gz ISXNQANANBQVOO-HNNXBMFYSA-N 1 0 419.710 4.001 50 0 HIAARO C[N@@H+]1CCCN(c2nc(-c3ccc(F)cc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000096346501 568737841 /nfs/dbraw/zinc/73/78/41/568737841.db2.gz FMRINDUXYMQJAM-UHFFFAOYSA-N 1 0 403.461 4.233 50 0 HIAARO CC1CC[NH+](CCCNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)CC1 ZINC000021707736 568744624 /nfs/dbraw/zinc/74/46/24/568744624.db2.gz PEACPEPNJHYVML-UHFFFAOYSA-N 1 0 404.514 4.255 50 0 HIAARO O[C@H](C[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 ZINC000247733766 568745692 /nfs/dbraw/zinc/74/56/92/568745692.db2.gz JCZUOEYZHPNMSI-HSZRJFAPSA-N 1 0 418.928 4.470 50 0 HIAARO O[C@@H](C[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000247745084 568745717 /nfs/dbraw/zinc/74/57/17/568745717.db2.gz QKXIBRQQHHOUJN-QHCPKHFHSA-N 1 0 418.928 4.470 50 0 HIAARO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248180538 568748265 /nfs/dbraw/zinc/74/82/65/568748265.db2.gz YJIWVJFFNPGFHR-SFHVURJKSA-N 1 0 406.530 4.477 50 0 HIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000248235747 568748274 /nfs/dbraw/zinc/74/82/74/568748274.db2.gz DKPCJCYZILHAIH-GOSISDBHSA-N 1 0 408.521 4.245 50 0 HIAARO Clc1ccc(Cn2cc(C[NH2+]CCN3CCOCC3)c3ccccc32)cc1Cl ZINC000253492280 568754002 /nfs/dbraw/zinc/75/40/02/568754002.db2.gz PEULEHSMJOGRKW-UHFFFAOYSA-N 1 0 418.368 4.418 50 0 HIAARO CC(C)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022038560 568764326 /nfs/dbraw/zinc/76/43/26/568764326.db2.gz LTIQXNWQFWRYDQ-QGZVFWFLSA-N 1 0 408.995 4.082 50 0 HIAARO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000056216108 568794531 /nfs/dbraw/zinc/79/45/31/568794531.db2.gz IHEQVCFKVZAIRU-XXBNENTESA-N 1 0 407.558 4.155 50 0 HIAARO CC[NH+](CC)CCCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261492025 568820451 /nfs/dbraw/zinc/82/04/51/568820451.db2.gz PVUWPMTVRKHDKF-UHFFFAOYSA-N 1 0 411.981 4.468 50 0 HIAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1cccc2ccccc21 ZINC000001196848 568823004 /nfs/dbraw/zinc/82/30/04/568823004.db2.gz KBGIOFMNKUTCLO-RUZDIDTESA-N 1 0 414.553 4.295 50 0 HIAARO COc1ccc(-c2cc(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)on2)cc1 ZINC000057463030 568838348 /nfs/dbraw/zinc/83/83/48/568838348.db2.gz AKPHSRXJROZXFK-UHFFFAOYSA-N 1 0 409.461 4.014 50 0 HIAARO Cc1cccc([C@H](CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)NC(N)=O)c1 ZINC000029880229 568844196 /nfs/dbraw/zinc/84/41/96/568844196.db2.gz JMJXZZKMHPCLQA-QHCPKHFHSA-N 1 0 422.573 4.498 50 0 HIAARO CCOc1ccc([C@H](O)C[NH+]2CCC(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000057509319 568847669 /nfs/dbraw/zinc/84/76/69/568847669.db2.gz XRUCZIHRADFUAE-JOCHJYFZSA-N 1 0 423.513 4.057 50 0 HIAARO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc(=O)oc12 ZINC000057585941 568854514 /nfs/dbraw/zinc/85/45/14/568854514.db2.gz RPRHNNOSXAOCON-IBGZPJMESA-N 1 0 407.466 4.305 50 0 HIAARO CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC[NH+](C)C ZINC000004027900 568878360 /nfs/dbraw/zinc/87/83/60/568878360.db2.gz CKUCLCVBSKPSGB-CPLSZTBBSA-N 1 0 408.627 4.098 50 0 biogenic HIAARO CC[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000058163624 568894952 /nfs/dbraw/zinc/89/49/52/568894952.db2.gz GXJAVMYAEWMYFZ-NRFANRHFSA-N 1 0 415.578 4.207 50 0 HIAARO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012683620 568907739 /nfs/dbraw/zinc/90/77/39/568907739.db2.gz CRFNRQJLUFVINM-UHFFFAOYSA-N 1 0 408.590 4.467 50 0 HIAARO COc1ccccc1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000031033318 568909934 /nfs/dbraw/zinc/90/99/34/568909934.db2.gz SHPSWBNGTVOHHF-UHFFFAOYSA-N 1 0 403.526 4.423 50 0 HIAARO CCN1C[C@H](C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1=O ZINC000012717476 568917898 /nfs/dbraw/zinc/91/78/98/568917898.db2.gz JHWQMNBODWCIEA-IBGZPJMESA-N 1 0 420.532 4.287 50 0 HIAARO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012766713 568948701 /nfs/dbraw/zinc/94/87/01/568948701.db2.gz NLFGTXXVIJOQIJ-UHFFFAOYSA-N 1 0 416.905 4.461 50 0 HIAARO CN(C)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004272544 568957472 /nfs/dbraw/zinc/95/74/72/568957472.db2.gz UREICWSGZNJXSW-UHFFFAOYSA-N 1 0 400.523 4.100 50 0 HIAARO COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)[NH+]2CCCC2)cc1 ZINC000008156743 568978267 /nfs/dbraw/zinc/97/82/67/568978267.db2.gz ZPKXROOPRCQIOZ-RUZDIDTESA-N 1 0 417.553 4.356 50 0 HIAARO Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008312902 568989064 /nfs/dbraw/zinc/98/90/64/568989064.db2.gz GPWYAXUHCOKCAJ-UHFFFAOYSA-N 1 0 419.525 4.396 50 0 HIAARO Cc1ccc(CN2c3ccccc3OC[C@@H]2CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000085648811 569005548 /nfs/dbraw/zinc/00/55/48/569005548.db2.gz YXTGETPCTTYMST-QHCPKHFHSA-N 1 0 421.585 4.145 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649823 569005715 /nfs/dbraw/zinc/00/57/15/569005715.db2.gz NFSOSQYRJUDACW-UHFFFAOYSA-N 1 0 401.514 4.103 50 0 HIAARO C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000012850485 569010397 /nfs/dbraw/zinc/01/03/97/569010397.db2.gz WZLTWIOCRSQXQZ-CYBMUJFWSA-N 1 0 404.301 4.206 50 0 HIAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012879071 569014117 /nfs/dbraw/zinc/01/41/17/569014117.db2.gz ONWFXIKSZHVSJA-HZPDHXFCSA-N 1 0 415.921 4.026 50 0 HIAARO CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1Br ZINC000035273764 569016764 /nfs/dbraw/zinc/01/67/64/569016764.db2.gz OUWLEZKNMITPMX-HZMBPMFUSA-N 1 0 407.146 4.267 50 0 HIAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC1c2ccccc2CCc2ccccc21 ZINC000006178199 569017586 /nfs/dbraw/zinc/01/75/86/569017586.db2.gz BMSHGDCCPZREMI-UHFFFAOYSA-N 1 0 410.517 4.145 50 0 HIAARO CCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012916908 569022353 /nfs/dbraw/zinc/02/23/53/569022353.db2.gz GVDXTJJCTPGKMM-LHSJRXKWSA-N 1 0 420.538 4.186 50 0 HIAARO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)NC1c2ccccc2-c2ccccc21 ZINC000012918447 569022678 /nfs/dbraw/zinc/02/26/78/569022678.db2.gz SEZITSWDIHUNAV-HHHXNRCGSA-N 1 0 412.533 4.318 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927700 569024023 /nfs/dbraw/zinc/02/40/23/569024023.db2.gz JXWJDGDNNAEWFI-GMAHTHKFSA-N 1 0 422.573 4.130 50 0 HIAARO COc1ccc(OCC[NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047201 569028287 /nfs/dbraw/zinc/02/82/87/569028287.db2.gz BPLIUYUPSGGOIT-ZIAGYGMSSA-N 1 0 411.329 4.236 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2csc(-c3ccccc3)n2)[NH+]2CCCC2)cc1 ZINC000012944330 569028909 /nfs/dbraw/zinc/02/89/09/569028909.db2.gz NYSBOALVGFZQRK-NRFANRHFSA-N 1 0 407.539 4.386 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459968 569063082 /nfs/dbraw/zinc/06/30/82/569063082.db2.gz IYBZRNCOPBMWMG-MRXNPFEDSA-N 1 0 411.937 4.044 50 0 HIAARO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCCc3ccccc3)CC1)cn2C ZINC000064669649 569078839 /nfs/dbraw/zinc/07/88/39/569078839.db2.gz HZHVLSONTHZXFY-UHFFFAOYSA-N 1 0 419.569 4.148 50 0 HIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2cccc(OC)c2OC)cc1 ZINC000036097298 569090226 /nfs/dbraw/zinc/09/02/26/569090226.db2.gz XHOCIZKGRUWAFJ-FQEVSTJZSA-N 1 0 417.546 4.000 50 0 HIAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1 ZINC000036104594 569092716 /nfs/dbraw/zinc/09/27/16/569092716.db2.gz OHYUMLHDTMRCHL-JOCHJYFZSA-N 1 0 405.494 4.166 50 0 HIAARO CC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146340 569098597 /nfs/dbraw/zinc/09/85/97/569098597.db2.gz KHJGYKRMQBHRFS-FPOVZHCZSA-N 1 0 402.922 4.115 50 0 HIAARO Cc1cccc(C[NH+]2CCC(CNc3c(=O)c(=O)c3-c3ccc(C)c(C)c3)CC2)c1 ZINC000006749216 569109076 /nfs/dbraw/zinc/10/90/76/569109076.db2.gz DMKHFUJPWAJQQH-UHFFFAOYSA-N 1 0 402.538 4.199 50 0 HIAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC(C)C ZINC000036208287 569109804 /nfs/dbraw/zinc/10/98/04/569109804.db2.gz LZVMLXRYDDYAAL-FQEVSTJZSA-N 1 0 403.567 4.043 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@@H](c3ccccc3F)C2)c1 ZINC000169677930 569126544 /nfs/dbraw/zinc/12/65/44/569126544.db2.gz FBNLNXKWUIVBNV-UZUQRXQVSA-N 1 0 409.505 4.386 50 0 HIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)C1 ZINC000006806256 569130967 /nfs/dbraw/zinc/13/09/67/569130967.db2.gz KDXQGPFMMPTGGP-ROUUACIJSA-N 1 0 414.619 4.384 50 0 HIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807049 569131214 /nfs/dbraw/zinc/13/12/14/569131214.db2.gz OXEZCNMMIWQANY-PMACEKPBSA-N 1 0 405.546 4.046 50 0 HIAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344443 569142660 /nfs/dbraw/zinc/14/26/60/569142660.db2.gz DQERZHVNADZAEP-JOCHJYFZSA-N 1 0 419.525 4.133 50 0 HIAARO CC1CC[NH+](Cc2ccc(NC(=O)COCc3cc(-c4ccco4)on3)cc2)CC1 ZINC000006876699 569163498 /nfs/dbraw/zinc/16/34/98/569163498.db2.gz GHOJCBLABBJBFJ-UHFFFAOYSA-N 1 0 409.486 4.322 50 0 HIAARO CCC[NH+](CCC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000006895572 569175393 /nfs/dbraw/zinc/17/53/93/569175393.db2.gz MHFWFFMAQUEAOP-MHZLTWQESA-N 1 0 410.967 4.093 50 0 HIAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000036430628 569182392 /nfs/dbraw/zinc/18/23/92/569182392.db2.gz BQWNDSDANVLCTC-NTKDMRAZSA-N 1 0 423.534 4.002 50 0 HIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000065257937 569209864 /nfs/dbraw/zinc/20/98/64/569209864.db2.gz JCIOMDLWAAILBU-UHFFFAOYSA-N 1 0 411.937 4.450 50 0 HIAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000007267147 569230923 /nfs/dbraw/zinc/23/09/23/569230923.db2.gz PFQSWBRCPJILMX-AZUAARDMSA-N 1 0 402.494 4.452 50 0 HIAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000007267148 569230958 /nfs/dbraw/zinc/23/09/58/569230958.db2.gz PFQSWBRCPJILMX-UYAOXDASSA-N 1 0 402.494 4.452 50 0 HIAARO O=C(Cc1ccc(Br)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492091 569241912 /nfs/dbraw/zinc/24/19/12/569241912.db2.gz PJQCXUMFROTDKS-UHFFFAOYSA-N 1 0 421.766 4.426 50 0 HIAARO Cc1cc(NC(=O)C[N@H+](C2CCC2)C(C)(C)c2ccc(Br)cc2)n(C)n1 ZINC000170601537 569243142 /nfs/dbraw/zinc/24/31/42/569243142.db2.gz IPVJEQDXTNDWIC-UHFFFAOYSA-N 1 0 419.367 4.219 50 0 HIAARO O=C(Nc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1Cl)c1cccs1 ZINC000014528305 569260431 /nfs/dbraw/zinc/26/04/31/569260431.db2.gz IHBDYKCSUXFEAR-UHFFFAOYSA-N 1 0 403.935 4.010 50 0 HIAARO O=C(CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1 ZINC000089775159 569263514 /nfs/dbraw/zinc/26/35/14/569263514.db2.gz GARVGHMLXVZLFX-INIZCTEOSA-N 1 0 412.440 4.223 50 0 HIAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000089941674 569269226 /nfs/dbraw/zinc/26/92/26/569269226.db2.gz VBHYESBBZOKLMW-JCGIZDLHSA-N 1 0 402.926 4.316 50 0 HIAARO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)cc1 ZINC000016993883 569270879 /nfs/dbraw/zinc/27/08/79/569270879.db2.gz QXHDSRZFXWWRPF-HSZRJFAPSA-N 1 0 408.498 4.088 50 0 HIAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1Cn1nnc2ccccc21 ZINC000002100980 569281361 /nfs/dbraw/zinc/28/13/61/569281361.db2.gz RXFOOPNQCJKEGN-XMMPIXPASA-N 1 0 409.493 4.205 50 0 biogenic HIAARO CCc1cc2c(cc1OC(=O)CCCCC[NH3+])occ(-c1nc(C)cs1)c2=O ZINC000002129513 569286490 /nfs/dbraw/zinc/28/64/90/569286490.db2.gz MFARARIULHGXPT-UHFFFAOYSA-N 1 0 400.500 4.212 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 ZINC000252506276 569291259 /nfs/dbraw/zinc/29/12/59/569291259.db2.gz VYEIUIXHQUWELX-SFHVURJKSA-N 1 0 403.404 4.393 50 0 HIAARO CCc1cc2c(C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3OC)cc(=O)oc2cc1O ZINC000007740732 569305361 /nfs/dbraw/zinc/30/53/61/569305361.db2.gz DKNRVOMHAULXAT-HXUWFJFHSA-N 1 0 409.482 4.415 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1OC ZINC000002418923 569397620 /nfs/dbraw/zinc/39/76/20/569397620.db2.gz BEKJZQLJZNGADP-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC1=NN(c2ccc(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000328593997 569415646 /nfs/dbraw/zinc/41/56/46/569415646.db2.gz HLEKFRJSSWSLRE-JOCHJYFZSA-N 1 0 404.558 4.305 50 0 HIAARO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000079068503 569426670 /nfs/dbraw/zinc/42/66/70/569426670.db2.gz URVQAJMQRHJQFC-UHFFFAOYSA-N 1 0 415.559 4.024 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1OC ZINC000019732616 569429465 /nfs/dbraw/zinc/42/94/65/569429465.db2.gz GLUOBVSCVUBJOQ-LJQANCHMSA-N 1 0 417.619 4.423 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)[NH+](C)C)cc1 ZINC000008749002 571111473 /nfs/dbraw/zinc/11/14/73/571111473.db2.gz IZXKBMKCZBSJGM-FQEVSTJZSA-N 1 0 423.538 4.042 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)CCCOc3cccc4ccccc43)cc2)CC1 ZINC000040130784 571182833 /nfs/dbraw/zinc/18/28/33/571182833.db2.gz GGOUVKLTCHUQJG-UHFFFAOYSA-N 1 0 403.526 4.389 50 0 HIAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000009043689 571215223 /nfs/dbraw/zinc/21/52/23/571215223.db2.gz CLFJDEZIXUJXCH-CTIGNXTNSA-N 1 0 421.541 4.122 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000070012148 571254203 /nfs/dbraw/zinc/25/42/03/571254203.db2.gz XOOCSBGNSBMZTO-UHFFFAOYSA-N 1 0 424.548 4.479 50 0 HIAARO COc1ccc(C[N@@H+]2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000009640495 571275628 /nfs/dbraw/zinc/27/56/28/571275628.db2.gz IXOZTHWBRXTOJT-UHFFFAOYSA-N 1 0 408.571 4.291 50 0 HIAARO Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000071326434 571291663 /nfs/dbraw/zinc/29/16/63/571291663.db2.gz BZHDLQLIEIVFGQ-UHFFFAOYSA-N 1 0 419.982 4.334 50 0 HIAARO Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000071326427 571291684 /nfs/dbraw/zinc/29/16/84/571291684.db2.gz AMMYIWBPLRIXJG-UHFFFAOYSA-N 1 0 419.982 4.334 50 0 HIAARO C[N@H+](CCCNC(=O)c1c[nH]c2ccc(Br)cc12)Cc1ccccc1 ZINC000009983597 571293545 /nfs/dbraw/zinc/29/35/45/571293545.db2.gz ZWQUYAGVSFJKNE-UHFFFAOYSA-N 1 0 400.320 4.182 50 0 HIAARO Cc1c(=O)c2cccc(C(=O)NC3CC[NH+](C(C)C)CC3)c2oc1-c1ccccc1 ZINC000010125652 571295341 /nfs/dbraw/zinc/29/53/41/571295341.db2.gz AAYDIZJYJJLUSD-UHFFFAOYSA-N 1 0 404.510 4.371 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010261039 571298744 /nfs/dbraw/zinc/29/87/44/571298744.db2.gz BZQUTTKJJUDAGF-OAQYLSRUSA-N 1 0 419.573 4.494 50 0 HIAARO COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c1OC ZINC000010330559 571300471 /nfs/dbraw/zinc/30/04/71/571300471.db2.gz LRQDEZRJUMWORR-QFIPXVFZSA-N 1 0 404.510 4.424 50 0 HIAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1cccc(I)c1 ZINC000010339725 571301072 /nfs/dbraw/zinc/30/10/72/571301072.db2.gz RTFQHSHXBFZSFO-KRWDZBQOSA-N 1 0 406.267 4.067 50 0 HIAARO O=C(CC1CCCC1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000108833888 571314498 /nfs/dbraw/zinc/31/44/98/571314498.db2.gz FFQSYSVUFXGGIW-UHFFFAOYSA-N 1 0 417.557 4.268 50 0 HIAARO CC(C)(C)NC1=[NH+]c2ncccc2N[C@]12CCCN(C(=O)CSc1ccccc1)C2 ZINC000101734500 571317901 /nfs/dbraw/zinc/31/79/01/571317901.db2.gz XJFRDMPGXVUZGY-QHCPKHFHSA-N 1 0 423.586 4.079 50 0 HIAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](CCCn2cccn2)CC1 ZINC000011770830 845831690 /nfs/dbraw/zinc/83/16/90/845831690.db2.gz HVPNDJJXKKWLPZ-UHFFFAOYSA-N 1 0 406.505 4.430 50 0 HIAARO O=C(NCc1cc2ccccc2s1)c1ccc(C[NH+]2CCCCCCC2)[nH]c1=O ZINC000011814612 845836247 /nfs/dbraw/zinc/83/62/47/845836247.db2.gz AWZLHVAJVCMRAY-UHFFFAOYSA-N 1 0 409.555 4.286 50 0 HIAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1C)CC2 ZINC000011813255 845836365 /nfs/dbraw/zinc/83/63/65/845836365.db2.gz CPGJEYVELALSCD-QHCPKHFHSA-N 1 0 406.570 4.273 50 0 HIAARO CN(Cc1cnn(-c2ccccc2)c1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011817691 845836433 /nfs/dbraw/zinc/83/64/33/845836433.db2.gz HWHDJOVPVNCBGP-JOCHJYFZSA-N 1 0 406.549 4.398 50 0 HIAARO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000011936183 845842190 /nfs/dbraw/zinc/84/21/90/845842190.db2.gz HPSNRPWEENQZPO-UHFFFAOYSA-N 1 0 409.877 4.010 50 0 HIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCSc2nccn2C)o1 ZINC000011935518 845842236 /nfs/dbraw/zinc/84/22/36/845842236.db2.gz UCAUSJBLLHQERC-UHFFFAOYSA-N 1 0 411.506 4.195 50 0 HIAARO COc1cccc2c1OCCC[N@@H+]([C@@H]1CCC(=O)N(Cc3ccc(C)cc3)CC1)C2 ZINC000011973186 845844312 /nfs/dbraw/zinc/84/43/12/845844312.db2.gz IVVLGUPLGPZCKS-JOCHJYFZSA-N 1 0 408.542 4.169 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccn1 ZINC000011999229 845846598 /nfs/dbraw/zinc/84/65/98/845846598.db2.gz NTOWDZWOFNYFHW-GOSISDBHSA-N 1 0 405.464 4.127 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCc1scnc1C ZINC000012302766 845866930 /nfs/dbraw/zinc/86/69/30/845866930.db2.gz FWHDQCBTKXQXFI-HXUWFJFHSA-N 1 0 417.594 4.326 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCc3c[nH]cn3)c(-c3ccccc3Cl)n2)cc1 ZINC000012317384 845867145 /nfs/dbraw/zinc/86/71/45/845867145.db2.gz NNISBKWMAMPOPZ-UHFFFAOYSA-N 1 0 407.905 4.257 50 0 HIAARO O=C(c1cn(C2CCCCC2)nn1)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000012373459 845868403 /nfs/dbraw/zinc/86/84/03/845868403.db2.gz FMEWSCOOVWHKJX-RUZDIDTESA-N 1 0 421.589 4.302 50 0 HIAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cccc(OC4CCCC4)c3)[N@@H+]3CCC[C@@]123 ZINC000012449110 845871333 /nfs/dbraw/zinc/87/13/33/845871333.db2.gz LYHXVMHREVSOLG-CVJWPJSTSA-N 1 0 417.553 4.341 50 0 HIAARO CC(C)C[N@H+]1C[C@H](C(=O)N2CCCC2)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014732847 845975380 /nfs/dbraw/zinc/97/53/80/845975380.db2.gz XAWOJAJECCUSAJ-ZWKOTPCHSA-N 1 0 412.496 4.301 50 0 HIAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]C1CCCCCCC1)CC2 ZINC000014749991 845978143 /nfs/dbraw/zinc/97/81/43/845978143.db2.gz PHRQSSJEZAVXBS-OAQYLSRUSA-N 1 0 408.590 4.193 50 0 HIAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(OCCO)cc2)Cc2ccccc2O1 ZINC000014985699 845996940 /nfs/dbraw/zinc/99/69/40/845996940.db2.gz IUTGRZJSIVBQSV-RUZDIDTESA-N 1 0 405.494 4.202 50 0 HIAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cccc(C)n4)CC3)c2)s1 ZINC000015074896 846006510 /nfs/dbraw/zinc/00/65/10/846006510.db2.gz CJWRWTPSOIEBRU-UHFFFAOYSA-N 1 0 407.543 4.068 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000015074805 846006518 /nfs/dbraw/zinc/00/65/18/846006518.db2.gz ZRQWDPPBQFMESA-GOSISDBHSA-N 1 0 404.514 4.059 50 0 HIAARO CC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2C[NH2+]C2CCCCCC2)CC1 ZINC000019114360 846353247 /nfs/dbraw/zinc/35/32/47/846353247.db2.gz ROTXGSUBEXUWOM-UHFFFAOYSA-N 1 0 414.981 4.369 50 0 HIAARO Cc1ccccc1[C@@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000019641393 846370966 /nfs/dbraw/zinc/37/09/66/846370966.db2.gz DTTKLZQPZYSBIA-VWLOTQADSA-N 1 0 406.570 4.088 50 0 HIAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CCCCC2)C4)c1 ZINC000019742648 846372454 /nfs/dbraw/zinc/37/24/54/846372454.db2.gz HEEDXAGIIDEYET-GOSISDBHSA-N 1 0 423.582 4.295 50 0 HIAARO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cccn3)cc1)CC2)c1ccccn1 ZINC000020783748 846388507 /nfs/dbraw/zinc/38/85/07/846388507.db2.gz TXUFBQQMKSNWOY-UHFFFAOYSA-N 1 0 409.493 4.078 50 0 HIAARO C[N@H+](C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000020914605 846394737 /nfs/dbraw/zinc/39/47/37/846394737.db2.gz SVQNZGNDCLMEGY-AREMUKBSSA-N 1 0 406.618 4.075 50 0 HIAARO C[N@@H+]1CCCN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000033770949 848138673 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401.558 4.137 50 0 HIAARO CCn1cc(C[NH+]2CCC(N3C(=O)C4(CCCCC4)[C@H]3c3ccccc3)CC2)cn1 ZINC000257186575 854233582 /nfs/dbraw/zinc/23/35/82/854233582.db2.gz KOPQRYRBBKVHAC-HSZRJFAPSA-N 1 0 406.574 4.401 50 0 HIAARO CCOc1ccccc1C[NH+]1CCC2(CC1)C[C@H](Cc1nc(C3CC3)no1)CCO2 ZINC000575545597 948676364 /nfs/dbraw/zinc/67/63/64/948676364.db2.gz LIVJJMIOWJSHBG-SFHVURJKSA-N 1 0 411.546 4.350 50 0 HIAARO CCn1nc(C)c(C[NH+]2CCC(Cc3ccc(CCC(=O)NC4CC4)cc3)CC2)c1C ZINC000575556564 948678385 /nfs/dbraw/zinc/67/83/85/948678385.db2.gz AQHKSVHSNYMPMU-UHFFFAOYSA-N 1 0 422.617 4.186 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)CC1 ZINC000003388228 132265528 /nfs/dbraw/zinc/26/55/28/132265528.db2.gz GGXSFFGFIZRTTA-UHFFFAOYSA-N 1 0 422.754 4.497 50 0 HIAARO S=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000004791567 132288735 /nfs/dbraw/zinc/28/87/35/132288735.db2.gz HABICMAAOXJJEU-UHFFFAOYSA-N 1 0 423.413 4.492 50 0 HIAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCc3ccccc3)CC2)c1-c1ccccc1 ZINC000005562725 132306846 /nfs/dbraw/zinc/30/68/46/132306846.db2.gz FHSZNHBZEAJGHV-UHFFFAOYSA-N 1 0 411.553 4.378 50 0 HIAARO COc1cccc(CC[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)c1 ZINC000011782302 132350445 /nfs/dbraw/zinc/35/04/45/132350445.db2.gz APVZCEZDUYHVLM-UHFFFAOYSA-N 1 0 421.585 4.169 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cn2)CC1 ZINC000012613111 132365270 /nfs/dbraw/zinc/36/52/70/132365270.db2.gz FQOOXYTXSNLEGI-UHFFFAOYSA-N 1 0 423.520 4.301 50 0 HIAARO Cc1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)ccc1N1CC[NH+](C)CC1 ZINC000012639038 132365618 /nfs/dbraw/zinc/36/56/18/132365618.db2.gz CBYMQWNNELVOOQ-UHFFFAOYSA-N 1 0 403.526 4.163 50 0 HIAARO Cc1cc(NC(=O)/C=C/c2ccccc2OC(F)F)ccc1N1CC[NH+](C)CC1 ZINC000012779071 132367067 /nfs/dbraw/zinc/36/70/67/132367067.db2.gz HDLOJDVYONXOMV-JXMROGBWSA-N 1 0 401.457 4.000 50 0 HIAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000040730402 519780048 /nfs/dbraw/zinc/78/00/48/519780048.db2.gz QMHUKSSEIVHFIE-UHFFFAOYSA-N 1 0 417.966 4.375 50 0 HIAARO CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742265 520715895 /nfs/dbraw/zinc/71/58/95/520715895.db2.gz KICMUEUCGCIOAO-UHFFFAOYSA-N 1 0 414.329 4.070 50 0 HIAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040737911 520724048 /nfs/dbraw/zinc/72/40/48/520724048.db2.gz MOTSHSHIJMRMDE-UHFFFAOYSA-N 1 0 405.498 4.096 50 0 HIAARO CC1CC[NH+]([C@H](CNC(=O)N2CCN(c3ccccc3)CC2)c2cccs2)CC1 ZINC000017126213 521036623 /nfs/dbraw/zinc/03/66/23/521036623.db2.gz HIOPLALDVZELPB-OAQYLSRUSA-N 1 0 412.603 4.053 50 0 HIAARO CCCCn1nc(C)c(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000032896496 521397308 /nfs/dbraw/zinc/39/73/08/521397308.db2.gz GVPUAZPOPDKBBM-ZHACJKMWSA-N 1 0 415.969 4.049 50 0 HIAARO CCOc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020576861 521501564 /nfs/dbraw/zinc/50/15/64/521501564.db2.gz ZQBMEFDZZINLKK-UHFFFAOYSA-N 1 0 411.575 4.398 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1cccc(Cl)c1 ZINC000299755854 521744908 /nfs/dbraw/zinc/74/49/08/521744908.db2.gz FSCINECNYOTGIY-ZEQRLZLVSA-N 1 0 421.972 4.362 50 0 HIAARO C[NH+](C)CCNC(=O)c1sc2c(cnc3cc4c(cc23)OCO4)c1-c1ccccc1 ZINC000045943735 521787140 /nfs/dbraw/zinc/78/71/40/521787140.db2.gz FYLZXRDPKUKPOO-UHFFFAOYSA-N 1 0 419.506 4.137 50 0 HIAARO CCc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000019909403 521855805 /nfs/dbraw/zinc/85/58/05/521855805.db2.gz MJOLXPNSZSDEPM-VWLOTQADSA-N 1 0 416.565 4.478 50 0 HIAARO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)ccc1OCC(=O)N1CCCC1 ZINC000025359316 522485150 /nfs/dbraw/zinc/48/51/50/522485150.db2.gz FXUHIKHUMGGKOX-MRXNPFEDSA-N 1 0 402.922 4.201 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2csc(C(C)=O)c2)C1 ZINC000020543125 524410167 /nfs/dbraw/zinc/41/01/67/524410167.db2.gz FXXKJGNKAPFMBU-IBGZPJMESA-N 1 0 400.588 4.346 50 0 HIAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1OC ZINC000020587021 524711361 /nfs/dbraw/zinc/71/13/61/524711361.db2.gz MHSWJRHOZNSLLL-NRFANRHFSA-N 1 0 406.530 4.181 50 0 HIAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899649 525408834 /nfs/dbraw/zinc/40/88/34/525408834.db2.gz UMGKXKDMRMOBMO-ICSRJNTNSA-N 1 0 421.493 4.341 50 0 HIAARO Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000032933054 525972676 /nfs/dbraw/zinc/97/26/76/525972676.db2.gz LBUHFZOWAXHUJN-UHFFFAOYSA-N 1 0 411.933 4.072 50 0 HIAARO O=C(CCn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746932 526672499 /nfs/dbraw/zinc/67/24/99/526672499.db2.gz QQYGRJKCRMSBOA-HKUYNNGSSA-N 1 0 418.379 4.175 50 0 HIAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000040719521 526979396 /nfs/dbraw/zinc/97/93/96/526979396.db2.gz XCSNLVSBGJIHPO-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO OCC[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040720898 527552698 /nfs/dbraw/zinc/55/26/98/527552698.db2.gz GSRJDBLYPSVESB-UHFFFAOYSA-N 1 0 417.764 4.287 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3Cc3ccccc3)cc2)CC1 ZINC000005172739 536423054 /nfs/dbraw/zinc/42/30/54/536423054.db2.gz BFCORCJHTSROOO-UHFFFAOYSA-N 1 0 415.537 4.047 50 0 HIAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCCCC5)C4=O)cc3)sc2c1 ZINC000000689525 557060375 /nfs/dbraw/zinc/06/03/75/557060375.db2.gz UDLUZJHQJAQBCU-IBGZPJMESA-N 1 0 405.523 4.390 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000000934777 557120152 /nfs/dbraw/zinc/12/01/52/557120152.db2.gz HWUDVBHHSWCXAL-LJQANCHMSA-N 1 0 412.331 4.415 50 0 HIAARO Cc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000001909492 557295739 /nfs/dbraw/zinc/29/57/39/557295739.db2.gz JPTBRXMIERWULB-OAQYLSRUSA-N 1 0 400.340 4.408 50 0 HIAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002730004 557371655 /nfs/dbraw/zinc/37/16/55/557371655.db2.gz JPBWWFZMLWEPJQ-IBGZPJMESA-N 1 0 421.324 4.246 50 0 HIAARO O=C(NCc1ccccc1F)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684076 557386871 /nfs/dbraw/zinc/38/68/71/557386871.db2.gz QIZDUYIJNNKZEX-UHFFFAOYSA-N 1 0 417.528 4.074 50 0 HIAARO O=C(NCc1ccco1)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684560 557387702 /nfs/dbraw/zinc/38/77/02/557387702.db2.gz CKNCHVLEZDJXGH-UHFFFAOYSA-N 1 0 409.917 4.185 50 0 HIAARO COc1cccc([C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740281 557443777 /nfs/dbraw/zinc/44/37/77/557443777.db2.gz WPIGZZKBOSUYGD-NFBKMPQASA-N 1 0 400.588 4.477 50 0 HIAARO CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000003800054 557498708 /nfs/dbraw/zinc/49/87/08/557498708.db2.gz JHLHNYVMZCADTC-LOSJGSFVSA-N 1 0 414.549 4.085 50 0 investigational HIAARO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccccc1Cl ZINC000004670732 557579304 /nfs/dbraw/zinc/57/93/04/557579304.db2.gz XUTNMIQLYHXVJH-UHFFFAOYSA-N 1 0 414.727 4.162 50 0 HIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000004725547 557587279 /nfs/dbraw/zinc/58/72/79/557587279.db2.gz UVOJUNHNGQFBQG-BSYVCWPDSA-N 1 0 417.597 4.146 50 0 HIAARO COc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c(F)c1 ZINC000019720777 558259094 /nfs/dbraw/zinc/25/90/94/558259094.db2.gz BLDSWPNZLHUZGC-OAQYLSRUSA-N 1 0 417.956 4.274 50 0 HIAARO Cn1cc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c2ccccc21 ZINC000011664927 558268480 /nfs/dbraw/zinc/26/84/80/558268480.db2.gz FYRPLXJGNHNKLC-UHFFFAOYSA-N 1 0 417.553 4.458 50 0 HIAARO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4F)C3)cn2)cc1 ZINC000011705544 558270892 /nfs/dbraw/zinc/27/08/92/558270892.db2.gz ICAZHNOXEVNGGG-RUZDIDTESA-N 1 0 421.516 4.109 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C/C=C/c3ccco3)C2)c(OC)c1 ZINC000011754186 558272716 /nfs/dbraw/zinc/27/27/16/558272716.db2.gz KSUDMZGJPFSLNX-QTWIXLPOSA-N 1 0 412.530 4.119 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3c4ccccc4oc32)C1)N1CCOCC1 ZINC000011754252 558273173 /nfs/dbraw/zinc/27/31/73/558273173.db2.gz NQSIFZYFPSAYCH-LJQANCHMSA-N 1 0 406.526 4.437 50 0 HIAARO CCn1c2ccccc2c2cc(C[N@H+]3CCC(=O)N(Cc4ccncc4)CC3)ccc21 ZINC000011786138 558276187 /nfs/dbraw/zinc/27/61/87/558276187.db2.gz HWYPMXMGBVYVRU-UHFFFAOYSA-N 1 0 412.537 4.444 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)CC1 ZINC000011813141 558278022 /nfs/dbraw/zinc/27/80/22/558278022.db2.gz VQQZKPIBLGZVFY-SANMLTNESA-N 1 0 420.597 4.457 50 0 HIAARO Cc1nc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c[nH]1 ZINC000011818723 558281926 /nfs/dbraw/zinc/28/19/26/558281926.db2.gz OFXWSXNJSRKGSH-UHFFFAOYSA-N 1 0 403.574 4.336 50 0 HIAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000011822138 558285403 /nfs/dbraw/zinc/28/54/03/558285403.db2.gz VIPONOTUOOWPIM-HXUWFJFHSA-N 1 0 405.542 4.211 50 0 HIAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000011841294 558286975 /nfs/dbraw/zinc/28/69/75/558286975.db2.gz XRXMVPVBVPXAIG-HXUWFJFHSA-N 1 0 414.509 4.042 50 0 HIAARO NC(=O)[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000011841296 558286993 /nfs/dbraw/zinc/28/69/93/558286993.db2.gz XRXMVPVBVPXAIG-FQEVSTJZSA-N 1 0 414.509 4.042 50 0 HIAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844089 558288823 /nfs/dbraw/zinc/28/88/23/558288823.db2.gz GXLXCIVCODYYFW-KRWDZBQOSA-N 1 0 420.022 4.321 50 0 HIAARO COCCNC(=O)c1cccc(OC2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC000011844126 558288907 /nfs/dbraw/zinc/28/89/07/558288907.db2.gz MBFLTURMHLROMS-SFHVURJKSA-N 1 0 414.546 4.001 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)Cc1cc(F)cc(F)c1 ZINC000011844429 558288947 /nfs/dbraw/zinc/28/89/47/558288947.db2.gz WJXZRFQANGRSFG-UHFFFAOYSA-N 1 0 404.476 4.060 50 0 HIAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000011873423 558291306 /nfs/dbraw/zinc/29/13/06/558291306.db2.gz FSFLHNGZBXNAIY-QGZVFWFLSA-N 1 0 408.995 4.361 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292482 /nfs/dbraw/zinc/29/24/82/558292482.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 1 0 412.574 4.099 50 0 HIAARO CC(C)/C=C/C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011878716 558293021 /nfs/dbraw/zinc/29/30/21/558293021.db2.gz TZLYNNCOGQLVJF-DGSRBQDKSA-N 1 0 402.554 4.258 50 0 HIAARO Cc1cccn2c(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)c(C(=O)N3CCCCC3)nc12 ZINC000019840038 558293626 /nfs/dbraw/zinc/29/36/26/558293626.db2.gz YUAZWQGMDHLMJJ-LJQANCHMSA-N 1 0 420.532 4.397 50 0 HIAARO COc1ccc(CN2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889052 558302420 /nfs/dbraw/zinc/30/24/20/558302420.db2.gz WIDPDFCJYLWUFS-NHCUHLMSSA-N 1 0 424.585 4.348 50 0 HIAARO C[C@@H]1C[N@H+](CCC(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2O1 ZINC000011995623 558306614 /nfs/dbraw/zinc/30/66/14/558306614.db2.gz JBZDAJNVXWCFEY-QGZVFWFLSA-N 1 0 407.539 4.100 50 0 HIAARO COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000011997449 558307295 /nfs/dbraw/zinc/30/72/95/558307295.db2.gz VUORXJCEAPCQMS-JOCHJYFZSA-N 1 0 420.553 4.416 50 0 HIAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000019922762 558307320 /nfs/dbraw/zinc/30/73/20/558307320.db2.gz SHZOOODLSIUQIW-UHFFFAOYSA-N 1 0 422.928 4.114 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000012051804 558314470 /nfs/dbraw/zinc/31/44/70/558314470.db2.gz ADSZDSAFGHEMGK-HRAATJIYSA-N 1 0 414.933 4.359 50 0 HIAARO Cc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccc4[nH]ccc4c3)O2)CC1 ZINC000012055265 558315613 /nfs/dbraw/zinc/31/56/13/558315613.db2.gz ABRIRXWCMRXDNC-QHCPKHFHSA-N 1 0 417.553 4.420 50 0 HIAARO COCC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000012111778 558326082 /nfs/dbraw/zinc/32/60/82/558326082.db2.gz BJONWZIZBBKILM-UHFFFAOYSA-N 1 0 419.525 4.186 50 0 HIAARO Cc1cccn2c(C[NH2+]C(C3CC3)C3CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012203215 558352029 /nfs/dbraw/zinc/35/20/29/558352029.db2.gz SVOSHLBSRBIMEQ-UHFFFAOYSA-N 1 0 416.569 4.236 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cc(F)cc(F)c1 ZINC000012204775 558352353 /nfs/dbraw/zinc/35/23/53/558352353.db2.gz PYYYTBOJZZJEGD-KRWDZBQOSA-N 1 0 422.859 4.018 50 0 HIAARO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)c1 ZINC000012218070 558354596 /nfs/dbraw/zinc/35/45/96/558354596.db2.gz QGESLFIUOODENT-IRLDBZIGSA-N 1 0 406.526 4.045 50 0 HIAARO c1[nH]nc(C2CCCCC2)c1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020449651 558364868 /nfs/dbraw/zinc/36/48/68/558364868.db2.gz ZFHKXAXHLIVYKM-DEOSSOPVSA-N 1 0 407.606 4.244 50 0 HIAARO Clc1ccc(-c2noc(CN3CCC[N@@H+](C4Cc5ccccc5C4)CC3)n2)cc1 ZINC000020455857 558369464 /nfs/dbraw/zinc/36/94/64/558369464.db2.gz JVYDSUZGTNVTGV-UHFFFAOYSA-N 1 0 408.933 4.065 50 0 HIAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)c1 ZINC000012300515 558370423 /nfs/dbraw/zinc/37/04/23/558370423.db2.gz FKSQJOMFWRWWNS-SFHVURJKSA-N 1 0 414.571 4.068 50 0 HIAARO O=C(NCc1cccs1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012308956 558377250 /nfs/dbraw/zinc/37/72/50/558377250.db2.gz JZIIMCSCTMKXGE-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012316874 558380257 /nfs/dbraw/zinc/38/02/57/558380257.db2.gz PNCGCGQLWHTCIX-RUZDIDTESA-N 1 0 412.622 4.116 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000012385471 558394490 /nfs/dbraw/zinc/39/44/90/558394490.db2.gz FWOOPRQOYTYVCX-VMPITWQZSA-N 1 0 406.526 4.144 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c(OC)c1 ZINC000012386991 558395799 /nfs/dbraw/zinc/39/57/99/558395799.db2.gz VQUQISCMPDPTLF-SFHVURJKSA-N 1 0 414.521 4.152 50 0 HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1F ZINC000012387238 558396072 /nfs/dbraw/zinc/39/60/72/558396072.db2.gz XNZZRXRYLUGBHM-HXUWFJFHSA-N 1 0 407.489 4.423 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1 ZINC000012432278 558406690 /nfs/dbraw/zinc/40/66/90/558406690.db2.gz WYFYZNXFBNRHFD-JOCHJYFZSA-N 1 0 418.541 4.429 50 0 HIAARO COc1ccc(F)c(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1 ZINC000012433107 558407221 /nfs/dbraw/zinc/40/72/21/558407221.db2.gz VGMZIFKHPMOBRG-UHFFFAOYSA-N 1 0 422.504 4.049 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](CCCn4cccn4)C3)cc2)c1 ZINC000012453764 558416580 /nfs/dbraw/zinc/41/65/80/558416580.db2.gz KNSJONRHRWFWHY-QFIPXVFZSA-N 1 0 418.541 4.300 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012475118 558422666 /nfs/dbraw/zinc/42/26/66/558422666.db2.gz SZUPKKUWHQETQN-MRXNPFEDSA-N 1 0 412.452 4.221 50 0 HIAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000020918211 558423079 /nfs/dbraw/zinc/42/30/79/558423079.db2.gz SBLAUDAZXOSHGG-UHFFFAOYSA-N 1 0 415.537 4.098 50 0 HIAARO CCCOc1c(Br)cc(CNCCC[NH+](C)C)cc1Br ZINC000020967563 558424865 /nfs/dbraw/zinc/42/48/65/558424865.db2.gz PHWUIZYSPVFQMN-UHFFFAOYSA-N 1 0 408.178 4.042 50 0 HIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012576084 558430578 /nfs/dbraw/zinc/43/05/78/558430578.db2.gz XQXZJYVDGFJINN-HXUWFJFHSA-N 1 0 404.514 4.122 50 0 HIAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc2ncccc21 ZINC000021333242 558436074 /nfs/dbraw/zinc/43/60/74/558436074.db2.gz UXBZKLZBNAVYOZ-UHFFFAOYSA-N 1 0 403.482 4.347 50 0 HIAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)c1 ZINC000012592116 558436174 /nfs/dbraw/zinc/43/61/74/558436174.db2.gz BQLNBHVKRBHMAX-KRWDZBQOSA-N 1 0 408.498 4.092 50 0 HIAARO c1nnc2c3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nn12 ZINC000021798640 558449797 /nfs/dbraw/zinc/44/97/97/558449797.db2.gz CJHUNACXJRTJBZ-UHFFFAOYSA-N 1 0 420.520 4.189 50 0 HIAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)CC1 ZINC000021799464 558450087 /nfs/dbraw/zinc/45/00/87/558450087.db2.gz GYVRVGIDVOCGBX-UHFFFAOYSA-N 1 0 403.452 4.174 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCC2)cc1 ZINC000021805427 558450496 /nfs/dbraw/zinc/45/04/96/558450496.db2.gz NCVYYJZKWDATAY-QFIPXVFZSA-N 1 0 405.498 4.226 50 0 HIAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CCCn3cccn3)CC2)c1 ZINC000012710526 558452115 /nfs/dbraw/zinc/45/21/15/558452115.db2.gz BCZNQMLUUZYBAF-UHFFFAOYSA-N 1 0 418.541 4.300 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]C[C@H]3CC(=O)N(C4CC4)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012715481 558454887 /nfs/dbraw/zinc/45/48/87/558454887.db2.gz DWSZISYUMDCZMV-HXUWFJFHSA-N 1 0 414.553 4.257 50 0 HIAARO CC[NH+](CC)CCN(C(=O)C1CCCCC1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359487 558456600 /nfs/dbraw/zinc/45/66/00/558456600.db2.gz RMKFYUPRHGIROK-UHFFFAOYSA-N 1 0 403.548 4.280 50 0 HIAARO COc1ccccc1[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)N1CCCC1 ZINC000022015893 558457986 /nfs/dbraw/zinc/45/79/86/558457986.db2.gz FSCALMYQHHJPIZ-IBGZPJMESA-N 1 0 402.922 4.047 50 0 HIAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)o1 ZINC000012761891 558461460 /nfs/dbraw/zinc/46/14/60/558461460.db2.gz MMPZQJGBFPTIPZ-UHFFFAOYSA-N 1 0 408.502 4.029 50 0 HIAARO c1coc(-c2nnc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)c1 ZINC000022374057 558484380 /nfs/dbraw/zinc/48/43/80/558484380.db2.gz VZDJFLQDDQPDGX-UHFFFAOYSA-N 1 0 400.482 4.237 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000023114204 558534835 /nfs/dbraw/zinc/53/48/35/558534835.db2.gz NOCTXTYLNWYUMK-XMMPIXPASA-N 1 0 403.526 4.474 50 0 HIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cnc(N(C)C)s4)C3)ccc2c1 ZINC000023128566 558536234 /nfs/dbraw/zinc/53/62/34/558536234.db2.gz QKVATIMXBGVBKW-IBGZPJMESA-N 1 0 409.555 4.466 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)O1)c1ccco1 ZINC000023128833 558536589 /nfs/dbraw/zinc/53/65/89/558536589.db2.gz JQGXUIWSOJQTQM-YKRMCXMESA-N 1 0 414.933 4.303 50 0 HIAARO CCN1C[C@@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O ZINC000013594454 558546950 /nfs/dbraw/zinc/54/69/50/558546950.db2.gz QCGWBWHIOXGCBH-OAQYLSRUSA-N 1 0 416.569 4.456 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000023337920 558550051 /nfs/dbraw/zinc/55/00/51/558550051.db2.gz PNPHCEPLWAYZRA-INIZCTEOSA-N 1 0 405.477 4.480 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717704 558580264 /nfs/dbraw/zinc/58/02/64/558580264.db2.gz WBHVVTCDXSCNGD-UHFFFAOYSA-N 1 0 401.470 4.143 50 0 HIAARO COc1ccc(CC(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034697785 558584567 /nfs/dbraw/zinc/58/45/67/558584567.db2.gz PYCUIRZDWKZISE-ILBGXUMGSA-N 1 0 406.570 4.274 50 0 HIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013727529 558585012 /nfs/dbraw/zinc/58/50/12/558585012.db2.gz ACXCBJAZTFMSMM-UHFFFAOYSA-N 1 0 416.949 4.420 50 0 HIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccccc1Cl ZINC000013727533 558585031 /nfs/dbraw/zinc/58/50/31/558585031.db2.gz WMFLOFQHBOFRFW-UHFFFAOYSA-N 1 0 416.949 4.420 50 0 HIAARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)CC2)c1 ZINC000013751067 558589641 /nfs/dbraw/zinc/58/96/41/558589641.db2.gz HWHLLITUISOPCT-MWXBQQNOSA-N 1 0 424.585 4.276 50 0 HIAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccccc1C(F)(F)F ZINC000013778789 558592869 /nfs/dbraw/zinc/59/28/69/558592869.db2.gz JFKHMVJETCQKEH-UHFFFAOYSA-O 1 0 404.387 4.185 50 0 HIAARO O=C(CCc1ccc(-c2ccccc2F)o1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014083659 558618402 /nfs/dbraw/zinc/61/84/02/558618402.db2.gz YERKWWBLXPNEFE-UHFFFAOYSA-N 1 0 414.521 4.170 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 ZINC000014123958 558622763 /nfs/dbraw/zinc/62/27/63/558622763.db2.gz BYDXFJNVLOKYTQ-OAHLLOKOSA-N 1 0 405.889 4.363 50 0 HIAARO Cc1nc(COc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cs1 ZINC000014140238 558624793 /nfs/dbraw/zinc/62/47/93/558624793.db2.gz ALBSXEXDZNXWRR-HXUWFJFHSA-N 1 0 407.539 4.035 50 0 HIAARO O=c1c(Cl)c(NCc2ccccc2C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000014141439 558625094 /nfs/dbraw/zinc/62/50/94/558625094.db2.gz VRECZRBHXRFWCT-UHFFFAOYSA-N 1 0 408.933 4.484 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000024991848 558626164 /nfs/dbraw/zinc/62/61/64/558626164.db2.gz QLNFYVQHKBHVAW-NRFANRHFSA-N 1 0 421.545 4.440 50 0 HIAARO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCCC2 ZINC000026299819 558658607 /nfs/dbraw/zinc/65/86/07/558658607.db2.gz DPLKYXYRQXYXQW-MOPGFXCFSA-N 1 0 417.557 4.016 50 0 HIAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014749358 558670453 /nfs/dbraw/zinc/67/04/53/558670453.db2.gz NAYJUDLJLZXECJ-UHFFFAOYSA-N 1 0 419.569 4.184 50 0 HIAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000027592321 558676829 /nfs/dbraw/zinc/67/68/29/558676829.db2.gz IXLOSEAOAOSNKG-NRFANRHFSA-N 1 0 409.509 4.061 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000027747686 558681635 /nfs/dbraw/zinc/68/16/35/558681635.db2.gz IRSXQZOBIZAEPD-OAQYLSRUSA-N 1 0 416.949 4.298 50 0 HIAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1ccco1 ZINC000014956505 558682706 /nfs/dbraw/zinc/68/27/06/558682706.db2.gz AJHXVAQCTURLEK-UHFFFAOYSA-N 1 0 421.522 4.313 50 0 HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1OC ZINC000014971246 558687318 /nfs/dbraw/zinc/68/73/18/558687318.db2.gz RQPIKXYYWCSHOS-OAQYLSRUSA-N 1 0 419.525 4.293 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027994203 558688973 /nfs/dbraw/zinc/68/89/73/558688973.db2.gz CJDZOPPWEQIDQE-DYESRHJHSA-N 1 0 416.949 4.459 50 0 HIAARO O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000014996888 558696365 /nfs/dbraw/zinc/69/63/65/558696365.db2.gz NRUZJMPQTIOAOZ-CEYISNLHSA-N 1 0 418.537 4.098 50 0 HIAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028292661 558698180 /nfs/dbraw/zinc/69/81/80/558698180.db2.gz DKDIDDVCCAPAHJ-NRFANRHFSA-N 1 0 404.510 4.367 50 0 HIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028292673 558698275 /nfs/dbraw/zinc/69/82/75/558698275.db2.gz VAEVVSJWNKRLMO-LJQANCHMSA-N 1 0 410.901 4.403 50 0 HIAARO CCc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000028402858 558699947 /nfs/dbraw/zinc/69/99/47/558699947.db2.gz HFMWNRVKKNVEIM-NRFANRHFSA-N 1 0 404.510 4.312 50 0 HIAARO Clc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000028427044 558700486 /nfs/dbraw/zinc/70/04/86/558700486.db2.gz OBNBKISAROQBOP-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(Cl)c2N2CCOCC2)C1 ZINC000072277760 558703168 /nfs/dbraw/zinc/70/31/68/558703168.db2.gz BFMJEMDCAZXQLS-QGZVFWFLSA-N 1 0 423.001 4.199 50 0 HIAARO C[N@H+](CCOc1ccccc1F)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000015046307 558704233 /nfs/dbraw/zinc/70/42/33/558704233.db2.gz MGFBIOIEBOQIIX-UHFFFAOYSA-N 1 0 406.251 4.205 50 0 HIAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000015061721 558704859 /nfs/dbraw/zinc/70/48/59/558704859.db2.gz BIBZBHXYSGHHDX-OAHLLOKOSA-N 1 0 412.896 4.029 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000015070969 558712704 /nfs/dbraw/zinc/71/27/04/558712704.db2.gz RMGAKNRBHGCYLF-UHFFFAOYSA-N 1 0 411.509 4.476 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(OC)c1 ZINC000015075737 558716378 /nfs/dbraw/zinc/71/63/78/558716378.db2.gz IXDCXCFLXMGKBJ-QFIPXVFZSA-N 1 0 424.585 4.445 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015077442 558717103 /nfs/dbraw/zinc/71/71/03/558717103.db2.gz DJQBMYYNMRACEK-SANMLTNESA-N 1 0 419.613 4.066 50 0 HIAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094048 558759749 /nfs/dbraw/zinc/75/97/49/558759749.db2.gz PFMVTGZMBUMYRX-QKKBWIMNSA-N 1 0 418.921 4.434 50 0 HIAARO CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000016650656 558797917 /nfs/dbraw/zinc/79/79/17/558797917.db2.gz DHISQJGPNHOOHU-UHFFFAOYSA-N 1 0 402.988 4.025 50 0 HIAARO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017088634 558817450 /nfs/dbraw/zinc/81/74/50/558817450.db2.gz MLHNOXCOPVGTQW-UHFFFAOYSA-N 1 0 410.583 4.115 50 0 HIAARO Cc1cc(F)ccc1N1CCC([N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)CC1 ZINC000039420532 558820992 /nfs/dbraw/zinc/82/09/92/558820992.db2.gz GLUFRVSYBQVYNN-HXUWFJFHSA-N 1 0 401.570 4.218 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1 ZINC000033025299 558845498 /nfs/dbraw/zinc/84/54/98/558845498.db2.gz ZDUFGIDEDFCQIW-UHFFFAOYSA-N 1 0 403.530 4.267 50 0 HIAARO COc1ccc(-c2coc3cc(OCC[NH+]4CCCCC4)ccc3c2=O)cc1OC ZINC000013625070 558848466 /nfs/dbraw/zinc/84/84/66/558848466.db2.gz CNIJJKVZYLJZFJ-UHFFFAOYSA-N 1 0 409.482 4.342 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035703 558859763 /nfs/dbraw/zinc/85/97/63/558859763.db2.gz JSFYTVYCMUAFQC-QFIPXVFZSA-N 1 0 422.573 4.170 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100154 558872526 /nfs/dbraw/zinc/87/25/26/558872526.db2.gz WYBXFRSISJFJKN-NRFANRHFSA-N 1 0 400.538 4.229 50 0 HIAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]CCCn3ccnc3)CC2)c1 ZINC000055211241 558876029 /nfs/dbraw/zinc/87/60/29/558876029.db2.gz HZLBNYWMLVHGFN-UHFFFAOYSA-N 1 0 409.578 4.051 50 0 HIAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 ZINC000055369720 558880438 /nfs/dbraw/zinc/88/04/38/558880438.db2.gz FODAARBVQBVGOS-IBGZPJMESA-N 1 0 415.940 4.214 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccccc4C)c(C)c32)CC1 ZINC000033048414 558885738 /nfs/dbraw/zinc/88/57/38/558885738.db2.gz MNNVRSGMZUDEBS-UHFFFAOYSA-N 1 0 409.559 4.092 50 0 HIAARO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057254346 558888055 /nfs/dbraw/zinc/88/80/55/558888055.db2.gz WECDCLLZHYKYNL-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004679085 558890223 /nfs/dbraw/zinc/89/02/23/558890223.db2.gz GCEZARPDYQWVNN-UHFFFAOYSA-N 1 0 403.841 4.330 50 0 HIAARO O=C([C@@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCOCC1 ZINC000058043810 558896557 /nfs/dbraw/zinc/89/65/57/558896557.db2.gz BRLBZHFQIWBQJS-JOCHJYFZSA-N 1 0 421.566 4.076 50 0 HIAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000058168258 558907616 /nfs/dbraw/zinc/90/76/16/558907616.db2.gz LQYLSUJUDQULDL-AWWSKVOZSA-N 1 0 422.573 4.032 50 0 HIAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCC[NH+]4CCCCC4)c3)ncn2)cc1 ZINC000033261010 558926994 /nfs/dbraw/zinc/92/69/94/558926994.db2.gz MENUHCCJPJOLSH-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261196 558928317 /nfs/dbraw/zinc/92/83/17/558928317.db2.gz RIWUMVCYCZSMNB-UHFFFAOYSA-N 1 0 421.520 4.488 50 0 HIAARO Cn1c(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCC[C@@H](O)C2)cc2ccccc21 ZINC000065435682 558977631 /nfs/dbraw/zinc/97/76/31/558977631.db2.gz STAHSHDVPQIMSY-OAQYLSRUSA-N 1 0 400.526 4.166 50 0 HIAARO O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072442326 558982132 /nfs/dbraw/zinc/98/21/32/558982132.db2.gz VXQJZKYEVTZPSN-UHFFFAOYSA-N 1 0 405.542 4.163 50 0 HIAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000067622510 558989832 /nfs/dbraw/zinc/98/98/32/558989832.db2.gz WYZKQBKYNTVCDC-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnc(-c3cccc4ccccc43)nc2)C[C@@H]1CCO ZINC000067642526 558990762 /nfs/dbraw/zinc/99/07/62/558990762.db2.gz JTMAFUBXZNQERR-QFIPXVFZSA-N 1 0 418.585 4.212 50 0 HIAARO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000097105375 558993870 /nfs/dbraw/zinc/99/38/70/558993870.db2.gz RXXHLKFFQKDBOW-MSOLQXFVSA-N 1 0 414.550 4.330 50 0 HIAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000077375225 559002554 /nfs/dbraw/zinc/00/25/54/559002554.db2.gz PWDPXRMIFYUDJB-OAQYLSRUSA-N 1 0 419.978 4.240 50 0 HIAARO CCc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)n2)cc1 ZINC000023742564 559179664 /nfs/dbraw/zinc/17/96/64/559179664.db2.gz KRQVRISDORNHBC-QFIPXVFZSA-N 1 0 418.541 4.185 50 0 HIAARO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000024023053 559187778 /nfs/dbraw/zinc/18/77/78/559187778.db2.gz OIXMKZAMKHPCOE-QHCPKHFHSA-N 1 0 407.489 4.020 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000004923822 559207486 /nfs/dbraw/zinc/20/74/86/559207486.db2.gz SFJYXWJAAAGPAV-MRXNPFEDSA-N 1 0 418.006 4.460 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004956583 559216858 /nfs/dbraw/zinc/21/68/58/559216858.db2.gz SPSIAOFHMUUJCV-NRFANRHFSA-N 1 0 419.525 4.203 50 0 HIAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]CCCOC(C)C ZINC000004992312 559224873 /nfs/dbraw/zinc/22/48/73/559224873.db2.gz VFXKFIACFQZVQR-FCHUYYIVSA-N 1 0 416.949 4.216 50 0 HIAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000005043444 559236249 /nfs/dbraw/zinc/23/62/49/559236249.db2.gz CBHLFMXIIPRBKM-UHFFFAOYSA-N 1 0 413.562 4.102 50 0 HIAARO CCOCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000005056244 559237691 /nfs/dbraw/zinc/23/76/91/559237691.db2.gz LNSOMTUGVCWUAB-GOSISDBHSA-N 1 0 419.953 4.058 50 0 HIAARO C[NH+](C)CCN(C(=O)c1cccc2ccccc21)c1nc2cc3c(cc2s1)OCO3 ZINC000005121459 559248482 /nfs/dbraw/zinc/24/84/82/559248482.db2.gz WQWNQUNQRPJPCC-UHFFFAOYSA-N 1 0 419.506 4.387 50 0 HIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)nc2c1 ZINC000005121521 559248557 /nfs/dbraw/zinc/24/85/57/559248557.db2.gz NNPRBGJYIXMWND-UHFFFAOYSA-N 1 0 409.555 4.392 50 0 HIAARO CC[NH+](CC)CCN(C(=O)Cc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000005122214 559248665 /nfs/dbraw/zinc/24/86/65/559248665.db2.gz JVOMJVKSEDNTKX-UHFFFAOYSA-N 1 0 403.498 4.492 50 0 HIAARO O=S(=O)(NC1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccs1 ZINC000011718434 559254913 /nfs/dbraw/zinc/25/49/13/559254913.db2.gz VTALRFXMVRFQGD-UHFFFAOYSA-N 1 0 410.564 4.261 50 0 HIAARO CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C[NH2+]CCc1ccccc1 ZINC000003289389 560591663 /nfs/dbraw/zinc/59/16/63/560591663.db2.gz WWUSOIOXTVLDEO-UHFFFAOYSA-N 1 0 414.552 4.424 50 0 HIAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000101215845 560790028 /nfs/dbraw/zinc/79/00/28/560790028.db2.gz GGNPQNJDSXTQTD-UHFFFAOYSA-N 1 0 421.010 4.160 50 0 HIAARO Cc1noc(C)c1COc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000005704799 560802766 /nfs/dbraw/zinc/80/27/66/560802766.db2.gz PSJPOLAERIYCAT-NRFANRHFSA-N 1 0 409.486 4.030 50 0 HIAARO CCc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000024556214 560845656 /nfs/dbraw/zinc/84/56/56/560845656.db2.gz QEAUOQHBPFSLFR-HXUWFJFHSA-N 1 0 412.534 4.202 50 0 HIAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3cccc4ncccc43)CC2)cc1F ZINC000047353428 560886332 /nfs/dbraw/zinc/88/63/32/560886332.db2.gz NLIZXCKZHVNHKZ-UHFFFAOYSA-N 1 0 408.477 4.169 50 0 HIAARO Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000047561519 560892206 /nfs/dbraw/zinc/89/22/06/560892206.db2.gz YWXGXAJCNDACRD-UHFFFAOYSA-N 1 0 402.518 4.006 50 0 HIAARO O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)N1CCC[C@@H](O)C1 ZINC000107066945 560895171 /nfs/dbraw/zinc/89/51/71/560895171.db2.gz VHQQIUINQPIGMZ-QUCCMNQESA-N 1 0 411.502 4.086 50 0 HIAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccc(F)cc3F)cc2)CC1 ZINC000048301166 568437422 /nfs/dbraw/zinc/43/74/22/568437422.db2.gz 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CC(C)[N@H+](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000239722553 568729791 /nfs/dbraw/zinc/72/97/91/568729791.db2.gz CDIIEGNIWFSKFO-QGZVFWFLSA-N 1 0 405.539 4.092 50 0 HIAARO CC[N@H+](CCNc1ncnc2onc(-c3cccc(OC)c3)c21)Cc1ccccc1 ZINC000021714898 568748908 /nfs/dbraw/zinc/74/89/08/568748908.db2.gz YYAVYGCPECUHEU-UHFFFAOYSA-N 1 0 403.486 4.227 50 0 HIAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)nc1COc1ccccc1 ZINC000021781497 568752592 /nfs/dbraw/zinc/75/25/92/568752592.db2.gz MIQTVQMWPOCSLM-UHFFFAOYSA-N 1 0 419.525 4.445 50 0 HIAARO CC[NH+](CC)CCOC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000021792731 568753169 /nfs/dbraw/zinc/75/31/69/568753169.db2.gz GCMVXSUHWNURLD-UHFFFAOYSA-N 1 0 424.398 4.053 50 0 HIAARO Cc1ccc(Nc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)c(C)c1 ZINC000021928670 568761526 /nfs/dbraw/zinc/76/15/26/568761526.db2.gz RELMVELPYFIHSY-UHFFFAOYSA-N 1 0 419.577 4.178 50 0 HIAARO Cc1cccc(Nc2nc(NCC[NH+](CC(C)C)CC(C)C)nc3c2cnn3C)c1 ZINC000021928849 568761622 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BEQYWLBUTVPFCO-QFIPXVFZSA-N 1 0 405.494 4.166 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)cc1OC ZINC000036096026 569090118 /nfs/dbraw/zinc/09/01/18/569090118.db2.gz FAOHQSYCIKGAQN-FQEVSTJZSA-N 1 0 405.510 4.021 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC ZINC000036308287 569130333 /nfs/dbraw/zinc/13/03/33/569130333.db2.gz TYFDUQLVGOJDIU-NRFANRHFSA-N 1 0 423.557 4.489 50 0 HIAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006807069 569131206 /nfs/dbraw/zinc/13/12/06/569131206.db2.gz NTTLDRHOGZEYBI-UHFFFAOYSA-N 1 0 417.557 4.062 50 0 HIAARO Fc1cccc(-c2noc(-c3ccc(N4CC[NH+](C5CCCCC5)CC4)nc3)n2)c1 ZINC000065097905 569176682 /nfs/dbraw/zinc/17/66/82/569176682.db2.gz TXRHQPNARHYQJI-UHFFFAOYSA-N 1 0 407.493 4.392 50 0 HIAARO CC[NH+](CC)CCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000006916079 569181155 /nfs/dbraw/zinc/18/11/55/569181155.db2.gz QWOJICSOBLWFPJ-UHFFFAOYSA-N 1 0 422.573 4.062 50 0 HIAARO COc1ccc(C(OC[C@H](O)C[NH2+]CCc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000006940219 569185569 /nfs/dbraw/zinc/18/55/69/569185569.db2.gz GRILGNVIUNFCMS-HSZRJFAPSA-N 1 0 421.537 4.003 50 0 HIAARO O=C(Nc1ccc(F)cc1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)nc1 ZINC000065257009 569208551 /nfs/dbraw/zinc/20/85/51/569208551.db2.gz CADYKTHMTSGWRW-OAQYLSRUSA-N 1 0 424.907 4.495 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccc(OC)cc1)N2 ZINC000065298548 569219357 /nfs/dbraw/zinc/21/93/57/569219357.db2.gz LWJJPQPHSXMDHD-FQEVSTJZSA-N 1 0 413.949 4.390 50 0 HIAARO Cc1cc(N2CCC(CNC(=O)COc3ccc(Cl)cc3Cl)CC2)cc[nH+]1 ZINC000253394139 569365123 /nfs/dbraw/zinc/36/51/23/569365123.db2.gz AKDLTZOYXMQZPZ-UHFFFAOYSA-N 1 0 408.329 4.108 50 0 HIAARO COc1ccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1OC ZINC000253398427 569365370 /nfs/dbraw/zinc/36/53/70/569365370.db2.gz CDPDJSWPHRTENH-IMIIHFCZSA-N 1 0 424.585 4.058 50 0 HIAARO C[NH+](C)CCCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3 ZINC000002341134 569376376 /nfs/dbraw/zinc/37/63/76/569376376.db2.gz AFKNMFXTZTZWHJ-UHFFFAOYSA-N 1 0 424.614 4.333 50 0 HIAARO O=C(Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000007941326 569401811 /nfs/dbraw/zinc/40/18/11/569401811.db2.gz WFNPKBAQNVKPPN-UHFFFAOYSA-N 1 0 417.509 4.448 50 0 HIAARO O=C(CSc1ccncc1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000019227583 569414469 /nfs/dbraw/zinc/41/44/69/569414469.db2.gz XHSSTOJMHBPDBM-DEOSSOPVSA-N 1 0 409.599 4.121 50 0 HIAARO Cc1cc(C)n2c(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccccc3)cnc2n1 ZINC000078998862 569423379 /nfs/dbraw/zinc/42/33/79/569423379.db2.gz KSWZKHQFWGOYDC-UHFFFAOYSA-N 1 0 408.509 4.489 50 0 HIAARO O=C(CCc1ncc(-c2ccccc2)o1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000079486025 569432169 /nfs/dbraw/zinc/43/21/69/569432169.db2.gz VQOAKNGYDQEMNN-UHFFFAOYSA-N 1 0 407.489 4.194 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000008867684 571129301 /nfs/dbraw/zinc/12/93/01/571129301.db2.gz AZVKYBWIURTDEG-NRFANRHFSA-N 1 0 402.922 4.071 50 0 HIAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000040086058 571156811 /nfs/dbraw/zinc/15/68/11/571156811.db2.gz BARMGXCEHJYORZ-UHFFFAOYSA-N 1 0 406.457 4.240 50 0 HIAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 ZINC000040103260 571163723 /nfs/dbraw/zinc/16/37/23/571163723.db2.gz JROFJHLTAXVTFB-UHFFFAOYSA-N 1 0 410.543 4.353 50 0 HIAARO CC[NH+](CC)CCN(C(=O)c1ccnc(Cl)c1)c1cccc(Br)c1 ZINC000040157907 571204531 /nfs/dbraw/zinc/20/45/31/571204531.db2.gz LLRIAXGEKZQXCN-UHFFFAOYSA-N 1 0 410.743 4.486 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000245258122 571221472 /nfs/dbraw/zinc/22/14/72/571221472.db2.gz KDFAJTJSIKTAOD-ISKFKSNPSA-N 1 0 419.569 4.029 50 0 HIAARO Cc1ccc(-n2c(SCC[NH2+]CCO)nnc2-c2ccc(Cl)cc2)cc1Cl ZINC000009125712 571226482 /nfs/dbraw/zinc/22/64/82/571226482.db2.gz XXQZEEYZMHZTHQ-UHFFFAOYSA-N 1 0 423.369 4.224 50 0 HIAARO C[NH+](C)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc2ccc(F)cc2s1 ZINC000009151886 571230728 /nfs/dbraw/zinc/23/07/28/571230728.db2.gz FYXMPNXCHXPZBU-UHFFFAOYSA-N 1 0 421.925 4.453 50 0 HIAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(COc4ccc(C(C)(C)C)cc4)nc3c12 ZINC000009304355 571246412 /nfs/dbraw/zinc/24/64/12/571246412.db2.gz ZAGSKMZDWKXJPI-UHFFFAOYSA-N 1 0 420.561 4.134 50 0 HIAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C)cc1 ZINC000009942286 571291115 /nfs/dbraw/zinc/29/11/15/571291115.db2.gz IOPQJFGSJRXSIB-UHFFFAOYSA-N 1 0 406.530 4.275 50 0 HIAARO CCNC(=O)c1cccc(NC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000010170543 571295831 /nfs/dbraw/zinc/29/58/31/571295831.db2.gz KPYVCHOZNXLDCD-UHFFFAOYSA-N 1 0 422.573 4.251 50 0 HIAARO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000010225092 571297267 /nfs/dbraw/zinc/29/72/67/571297267.db2.gz YQGKOGMFADVCHL-INIZCTEOSA-N 1 0 407.514 4.392 50 0 HIAARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334172 571300811 /nfs/dbraw/zinc/30/08/11/571300811.db2.gz KEQBWCPEHHHNDF-QHCPKHFHSA-N 1 0 415.537 4.348 50 0 HIAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000071842544 571303080 /nfs/dbraw/zinc/30/30/80/571303080.db2.gz UIKPRAOWICVWDY-UHFFFAOYSA-N 1 0 421.415 4.451 50 0 HIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000071850961 571303523 /nfs/dbraw/zinc/30/35/23/571303523.db2.gz RUJVOXLFRYNZDX-SFHVURJKSA-N 1 0 423.586 4.238 50 0 HIAARO Cn1cc([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[NH+](C)C)c2ccccc21 ZINC000077200994 571313316 /nfs/dbraw/zinc/31/33/16/571313316.db2.gz QGSDJOCGJARHBU-IBGZPJMESA-N 1 0 405.420 4.110 50 0 HIAARO CC(C)CN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000011815718 845836334 /nfs/dbraw/zinc/83/63/34/845836334.db2.gz UTDNYQPBRSRIPN-DEOSSOPVSA-N 1 0 417.569 4.073 50 0 HIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000011839492 845838322 /nfs/dbraw/zinc/83/83/22/845838322.db2.gz PKTFGFQDWCCSGK-GOSISDBHSA-N 1 0 403.526 4.251 50 0 HIAARO COc1ccc(C[NH+]2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)c2ccccc12 ZINC000011910604 845839925 /nfs/dbraw/zinc/83/99/25/845839925.db2.gz XJEKIROWVPSUPV-VWLOTQADSA-N 1 0 423.557 4.075 50 0 HIAARO O=C(Nc1cccc(F)c1)[C@H]1CC12CC[NH+](Cc1cccn1-c1cccnc1)CC2 ZINC000011973608 845844880 /nfs/dbraw/zinc/84/48/80/845844880.db2.gz MTSNKAAOOALOMV-JOCHJYFZSA-N 1 0 404.489 4.252 50 0 HIAARO Cc1nc(N2CCC[C@@H]([N@@H+]3CCOc4ccccc4C3)CC2)nc2ccc(F)cc12 ZINC000012054195 845850993 /nfs/dbraw/zinc/85/09/93/845850993.db2.gz LIPAJVMBFIUJKO-HXUWFJFHSA-N 1 0 406.505 4.331 50 0 HIAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012210694 845859657 /nfs/dbraw/zinc/85/96/57/845859657.db2.gz JAGOQPOBORLHKX-QFIPXVFZSA-N 1 0 417.553 4.138 50 0 HIAARO CN(c1ccccc1)c1ccc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc1 ZINC000012448486 845871322 /nfs/dbraw/zinc/87/13/22/845871322.db2.gz QSUNGSCGOJPFEW-UHFFFAOYSA-N 1 0 421.585 4.306 50 0 HIAARO O=C(NC1CC1)C1CC[NH+](C2CCN(Cc3ccc(C4CCCC4)s3)CC2)CC1 ZINC000012714796 845885328 /nfs/dbraw/zinc/88/53/28/845885328.db2.gz RUIXCQYKZMEWRQ-UHFFFAOYSA-N 1 0 415.647 4.361 50 0 HIAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]C1CCCCCCC1)CC2 ZINC000014749992 845978079 /nfs/dbraw/zinc/97/80/79/845978079.db2.gz PHRQSSJEZAVXBS-NRFANRHFSA-N 1 0 408.590 4.193 50 0 HIAARO COC[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)C1 ZINC000014963506 845995509 /nfs/dbraw/zinc/99/55/09/845995509.db2.gz AIUYWDUJQOASGB-GOSISDBHSA-N 1 0 409.505 4.464 50 0 HIAARO CC(C)[C@H]([NH2+]Cc1cc2ccc(Cl)cc2nc1OCCc1ccccc1)C(N)=O ZINC000014984354 845997040 /nfs/dbraw/zinc/99/70/40/845997040.db2.gz NGLVSRSSDGFMSF-NRFANRHFSA-N 1 0 411.933 4.109 50 0 HIAARO COc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006659 /nfs/dbraw/zinc/00/66/59/846006659.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 1 0 400.538 4.229 50 0 HIAARO COc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006844 /nfs/dbraw/zinc/00/68/44/846006844.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 1 0 400.538 4.229 50 0 HIAARO Cc1ccc2nc(OCc3ccccc3C)c(C[NH2+]CCc3cnn(C)c3)cc2c1 ZINC000019218322 846358980 /nfs/dbraw/zinc/35/89/80/846358980.db2.gz WOTRHAUTKFBDIL-UHFFFAOYSA-N 1 0 400.526 4.496 50 0 HIAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000020208645 846381907 /nfs/dbraw/zinc/38/19/07/846381907.db2.gz VQFZCMLZZFMKLU-UHFFFAOYSA-N 1 0 404.495 4.261 50 0 HIAARO COc1cccc(N2C[C@@H]3C[C@@H](c4c[nH]nc4-c4ccccc4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000023428892 846700394 /nfs/dbraw/zinc/70/03/94/846700394.db2.gz WPIOCBWVPXZCRM-PZGSVQSZSA-N 1 0 414.509 4.028 50 0 HIAARO COCCN(Cc1cccc(OC)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055099415 849969669 /nfs/dbraw/zinc/96/96/69/849969669.db2.gz TVMLANAORKDGJP-QFIPXVFZSA-N 1 0 408.586 4.023 50 0 HIAARO CN(C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)C1CC[NH+](C)CC1 ZINC000107602777 852780946 /nfs/dbraw/zinc/78/09/46/852780946.db2.gz IWQLGKPMDYNAPG-KHPPLWFESA-N 1 0 406.555 4.167 50 0 HIAARO CC1CCN(C(=O)c2ccccc2OC[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000169765038 853658155 /nfs/dbraw/zinc/65/81/55/853658155.db2.gz UGHDSZJEWHCFCU-QFIPXVFZSA-N 1 0 407.558 4.245 50 0 HIAARO O=C(c1ccccn1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776714 853663403 /nfs/dbraw/zinc/66/34/03/853663403.db2.gz WQGNWPIRIQBZMQ-QFIPXVFZSA-N 1 0 423.532 4.039 50 0 HIAARO O=C(c1ccco1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776710 853663428 /nfs/dbraw/zinc/66/34/28/853663428.db2.gz HJZSLCPKLQMJMI-NRFANRHFSA-N 1 0 412.505 4.237 50 0 HIAARO CC(C)c1nnc([C@H]2C[N@H+](C)CC23CCN(Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174447 854232780 /nfs/dbraw/zinc/23/27/80/854232780.db2.gz HBVAZQXZLVCJBJ-QGZVFWFLSA-N 1 0 406.933 4.297 50 0 HIAARO COc1ccccc1-c1n[nH]cc1C[N@@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257182137 854234025 /nfs/dbraw/zinc/23/40/25/854234025.db2.gz OROJLPCDEXAMQA-QFIPXVFZSA-N 1 0 418.541 4.319 50 0 HIAARO CC[C@H]1C[N@H+](CCC(=O)N2CCCC[C@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761693 854280611 /nfs/dbraw/zinc/28/06/11/854280611.db2.gz MXWHHJVCLBFHQK-REWPJTCUSA-N 1 0 423.557 4.207 50 0 HIAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3ccco3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000299778528 854281603 /nfs/dbraw/zinc/28/16/03/854281603.db2.gz MTFHTOBNNMHAJI-UHFFFAOYSA-N 1 0 419.481 4.019 50 0 HIAARO CCCCc1nc2sc3c(nc(SC)nc3N3CC[NH2+]CC3)c2c2c1CCC2 ZINC000002405990 132254105 /nfs/dbraw/zinc/25/41/05/132254105.db2.gz IYFDCFGTDPOIDL-UHFFFAOYSA-N 1 0 413.616 4.202 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000010080419 132345050 /nfs/dbraw/zinc/34/50/50/132345050.db2.gz VHXKIRCNKGHFSU-JOCHJYFZSA-N 1 0 414.981 4.255 50 0 HIAARO O=C([C@H]1CC12CC[NH+](CCCc1ccccc1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012052466 132353323 /nfs/dbraw/zinc/35/33/23/132353323.db2.gz IIALXKUFEWLNGX-RUZDIDTESA-N 1 0 417.597 4.070 50 0 HIAARO Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)ccc1N1CC[NH+](C)CC1 ZINC000012632855 132365474 /nfs/dbraw/zinc/36/54/74/132365474.db2.gz MQLSWJZTRLKBQO-UHFFFAOYSA-N 1 0 408.329 4.071 50 0 HIAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)c1)c1cccnc1 ZINC000015069161 132461220 /nfs/dbraw/zinc/46/12/20/132461220.db2.gz JNILDEDZPKHZKB-UHFFFAOYSA-N 1 0 422.479 4.371 50 0 HIAARO CC(C)Oc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000040731150 519779810 /nfs/dbraw/zinc/77/98/10/519779810.db2.gz FJURACITHKQXPH-UHFFFAOYSA-N 1 0 417.966 4.375 50 0 HIAARO CC1(C)C[C@H]([C@@H](CC[NH2+]CCN2CCOCC2)Cc2ccccc2Cl)CCO1 ZINC000020590607 520559693 /nfs/dbraw/zinc/55/96/93/520559693.db2.gz PIILXQVIYUAKMK-PZJWPPBQSA-N 1 0 409.014 4.016 50 0 HIAARO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734729 520758470 /nfs/dbraw/zinc/75/84/70/520758470.db2.gz LYGMDOZGHGBTFZ-UHFFFAOYSA-N 1 0 414.546 4.318 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccccc1)c1ccccc1Cl ZINC000032316130 520832593 /nfs/dbraw/zinc/83/25/93/520832593.db2.gz MIXNQBBWZCLGQO-YADHBBJMSA-N 1 0 415.965 4.107 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccc(F)cc1 ZINC000032624344 522023612 /nfs/dbraw/zinc/02/36/12/522023612.db2.gz GIBIXWSQXLAAAY-QFIPXVFZSA-N 1 0 407.489 4.392 50 0 HIAARO COc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000032930083 523924036 /nfs/dbraw/zinc/92/40/36/523924036.db2.gz AUPQHWITNLTYRR-IBGZPJMESA-N 1 0 410.558 4.185 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000032870698 524626237 /nfs/dbraw/zinc/62/62/37/524626237.db2.gz XYCAXPDNIDPMAE-QZTJIDSGSA-N 1 0 409.530 4.254 50 0 HIAARO Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762310 525116389 /nfs/dbraw/zinc/11/63/89/525116389.db2.gz QZXJVARMKRURGK-HNNXBMFYSA-N 1 0 403.573 4.033 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(OC)cc3c2C)[NH+]2CCCC2)cc1 ZINC000024750468 525186690 /nfs/dbraw/zinc/18/66/90/525186690.db2.gz QGEYIMYIIZVSSS-OAQYLSRUSA-N 1 0 408.498 4.325 50 0 HIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000032811497 525248441 /nfs/dbraw/zinc/24/84/41/525248441.db2.gz NVVHZVQRRSRCAV-FQEVSTJZSA-N 1 0 404.457 4.092 50 0 HIAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899647 525381922 /nfs/dbraw/zinc/38/19/22/525381922.db2.gz UMGKXKDMRMOBMO-AZUAARDMSA-N 1 0 421.493 4.341 50 0 HIAARO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1cccc(Cl)c1 ZINC000032763165 525619177 /nfs/dbraw/zinc/61/91/77/525619177.db2.gz CMJFPBZIEKIDBJ-IBGZPJMESA-N 1 0 414.962 4.463 50 0 HIAARO COc1ccc2ncc3c(sc(C(=O)NCC[NH+](C)C)c3-c3ccccc3)c2c1 ZINC000045944032 525681317 /nfs/dbraw/zinc/68/13/17/525681317.db2.gz REBPLOSKOYROAQ-UHFFFAOYSA-N 1 0 405.523 4.417 50 0 HIAARO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040744038 525805700 /nfs/dbraw/zinc/80/57/00/525805700.db2.gz ZSGNHMUTTAJDIH-LLVKDONJSA-N 1 0 402.691 4.291 50 0 HIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000043991413 526159000 /nfs/dbraw/zinc/15/90/00/526159000.db2.gz UBHCOOIXDOHUKM-VQHVLOKHSA-N 1 0 424.566 4.179 50 0 HIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1(c2cccc(Br)c2)CC1 ZINC000032760342 526494445 /nfs/dbraw/zinc/49/44/45/526494445.db2.gz BENMFIVVESFODY-KRWDZBQOSA-N 1 0 419.388 4.496 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000032931233 526913093 /nfs/dbraw/zinc/91/30/93/526913093.db2.gz LQEVHGWLYXWWET-MRXNPFEDSA-N 1 0 403.617 4.233 50 0 HIAARO Clc1cccc(COc2ccc3ccccc3c2C[NH2+]CCN2CCOCC2)c1 ZINC000040720779 526977953 /nfs/dbraw/zinc/97/79/53/526977953.db2.gz WLVXCMKBUBJZKY-UHFFFAOYSA-N 1 0 410.945 4.494 50 0 HIAARO Cc1ncc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)s1 ZINC000020535825 527253911 /nfs/dbraw/zinc/25/39/11/527253911.db2.gz NNDOFPQRGOUMDZ-UHFFFAOYSA-N 1 0 421.566 4.425 50 0 HIAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2c(C)cccc2C)C1=O ZINC000002348616 535508210 /nfs/dbraw/zinc/50/82/10/535508210.db2.gz CRVGULJJFAQILD-OQKWZONESA-N 1 0 405.542 4.153 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000010080416 535655184 /nfs/dbraw/zinc/65/51/84/535655184.db2.gz VHXKIRCNKGHFSU-QFIPXVFZSA-N 1 0 414.981 4.255 50 0 HIAARO Cc1cc(=O)oc2cc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000001117589 557188396 /nfs/dbraw/zinc/18/83/96/557188396.db2.gz VADDCFYKSYRNLC-UHFFFAOYSA-N 1 0 407.539 4.052 50 0 HIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COCCOc1ccc(Br)cc1 ZINC000002082535 557310513 /nfs/dbraw/zinc/31/05/13/557310513.db2.gz BLZMTXKDCRAJFA-INIZCTEOSA-N 1 0 402.373 4.010 50 0 HIAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4ccccc4F)cc3)CC2)cc1 ZINC000034668282 557361958 /nfs/dbraw/zinc/36/19/58/557361958.db2.gz CBTXVTINKHMAKK-UHFFFAOYSA-N 1 0 417.528 4.386 50 0 HIAARO Cc1ccccc1C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1 ZINC000034681785 557383641 /nfs/dbraw/zinc/38/36/41/557383641.db2.gz QHZPHLXMGPNPOQ-UHFFFAOYSA-N 1 0 418.516 4.494 50 0 HIAARO C[NH+](C)CCNC(=O)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711843 557391433 /nfs/dbraw/zinc/39/14/33/557391433.db2.gz HZXTZJGZDIBUNW-UHFFFAOYSA-N 1 0 415.946 4.334 50 0 HIAARO COc1cccc([C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740280 557443879 /nfs/dbraw/zinc/44/38/79/557443879.db2.gz WPIGZZKBOSUYGD-NZQKXSOJSA-N 1 0 400.588 4.477 50 0 HIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000004223001 557529883 /nfs/dbraw/zinc/52/98/83/557529883.db2.gz KUMQRMMTGAJGIM-UHFFFAOYSA-N 1 0 412.299 4.036 50 0 HIAARO CN(CCOc1ccc(-c2ccn(C(=O)c3ccc(F)cc3)n2)cc1)c1ccccn1 ZINC000005659503 557666764 /nfs/dbraw/zinc/66/67/64/557666764.db2.gz DHMNHDWUIJBYKK-UHFFFAOYSA-N 1 0 416.456 4.288 50 0 HIAARO CCc1ccc(C2=[N+]3CCCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000005667389 557667470 /nfs/dbraw/zinc/66/74/70/557667470.db2.gz YEWSPSBAKAJELS-HSZRJFAPSA-N 1 0 401.477 4.302 50 0 HIAARO CCc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)[NH+](C)C)cc1 ZINC000022870591 557843647 /nfs/dbraw/zinc/84/36/47/557843647.db2.gz MNDRABJFMRWTBO-NRFANRHFSA-N 1 0 424.976 4.488 50 0 HIAARO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916328 558259429 /nfs/dbraw/zinc/25/94/29/558259429.db2.gz YGUPVROQAOMJIY-MRXNPFEDSA-N 1 0 406.357 4.181 50 0 HIAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)o1 ZINC000019742117 558262505 /nfs/dbraw/zinc/26/25/05/558262505.db2.gz MYGMLJKBKSJWKW-IBGZPJMESA-N 1 0 406.530 4.148 50 0 HIAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000011753483 558272258 /nfs/dbraw/zinc/27/22/58/558272258.db2.gz QJVDEYDRUXNNGO-KRWDZBQOSA-N 1 0 424.570 4.009 50 0 HIAARO O=C(CCC1CC[NH+](C2Cc3ccccc3C2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000011814548 558278854 /nfs/dbraw/zinc/27/88/54/558278854.db2.gz XLGLOTWEAGUMCN-UHFFFAOYSA-N 1 0 406.526 4.056 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]Cc2[nH]nc3c2CCC3)cc1 ZINC000011816615 558280075 /nfs/dbraw/zinc/28/00/75/558280075.db2.gz BNCORAVONGAFIF-UHFFFAOYSA-N 1 0 417.488 4.189 50 0 HIAARO CN(C)c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000011820601 558283948 /nfs/dbraw/zinc/28/39/48/558283948.db2.gz AGTMDVRMBVEJTR-XMMPIXPASA-N 1 0 413.512 4.159 50 0 HIAARO COc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000011821932 558285135 /nfs/dbraw/zinc/28/51/35/558285135.db2.gz KGJSWGIDPUVIMY-HXUWFJFHSA-N 1 0 411.546 4.370 50 0 HIAARO Cc1cccc(NC(=O)CCC2CC[NH+](Cc3ccc(N4CCNC4=O)cc3)CC2)c1 ZINC000011843880 558288809 /nfs/dbraw/zinc/28/88/09/558288809.db2.gz BXZXIBYILJSDCA-UHFFFAOYSA-N 1 0 420.557 4.156 50 0 HIAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)CC2)n1 ZINC000011873201 558290928 /nfs/dbraw/zinc/29/09/28/558290928.db2.gz ZPEPPOLHVCHURS-UHFFFAOYSA-N 1 0 424.633 4.073 50 0 HIAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011874874 558292589 /nfs/dbraw/zinc/29/25/89/558292589.db2.gz BHYAULUEHLOREL-GOSISDBHSA-N 1 0 400.592 4.233 50 0 HIAARO O=C(NCc1ccco1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011878423 558292774 /nfs/dbraw/zinc/29/27/74/558292774.db2.gz DVLJSQNQUIKXMX-UHFFFAOYSA-N 1 0 404.510 4.296 50 0 HIAARO C[N@H+](C1CCN(Cc2cccnc2)CC1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000019837739 558293180 /nfs/dbraw/zinc/29/31/80/558293180.db2.gz ZLVLLOCBZQHYAD-SANMLTNESA-N 1 0 406.618 4.075 50 0 HIAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(Br)c3)CC2)cc1 ZINC000019850727 558295462 /nfs/dbraw/zinc/29/54/62/558295462.db2.gz DNRQSVOPGKKHOL-UHFFFAOYSA-N 1 0 403.364 4.338 50 0 HIAARO C[N@H+](Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1)C1CCCCC1 ZINC000011909674 558296398 /nfs/dbraw/zinc/29/63/98/558296398.db2.gz SVDHOVGSRRGDSY-UHFFFAOYSA-N 1 0 421.463 4.088 50 0 HIAARO CCN(Cc1cnc(N(C)C)s1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011932903 558297658 /nfs/dbraw/zinc/29/76/58/558297658.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 1 0 404.599 4.125 50 0 HIAARO C[C@H]1C[N@H+](CCC(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2O1 ZINC000011995624 558306600 /nfs/dbraw/zinc/30/66/00/558306600.db2.gz JBZDAJNVXWCFEY-KRWDZBQOSA-N 1 0 407.539 4.100 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012072516 558317786 /nfs/dbraw/zinc/31/77/86/558317786.db2.gz WISXFNKAVJJSIP-GOSISDBHSA-N 1 0 423.532 4.342 50 0 HIAARO COc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)c1 ZINC000012112054 558326358 /nfs/dbraw/zinc/32/63/58/558326358.db2.gz ABJSREYYGHZJPU-IBGZPJMESA-N 1 0 411.546 4.122 50 0 HIAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1 ZINC000012112217 558326617 /nfs/dbraw/zinc/32/66/17/558326617.db2.gz ZYDMYQAFPVQPPO-GOSISDBHSA-N 1 0 416.949 4.451 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000020109745 558335057 /nfs/dbraw/zinc/33/50/57/558335057.db2.gz AZACNPZCGAGACO-YYWHXJBOSA-N 1 0 409.014 4.363 50 0 HIAARO CN(c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1)C1CC[NH+](C)CC1 ZINC000020203626 558346566 /nfs/dbraw/zinc/34/65/66/558346566.db2.gz PUZNYJCFWTVBMJ-OAQYLSRUSA-N 1 0 406.574 4.022 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347094 /nfs/dbraw/zinc/34/70/94/558347094.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 1 0 418.585 4.472 50 0 HIAARO O=C(c1cc2ccccc2oc1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000012201919 558351679 /nfs/dbraw/zinc/35/16/79/558351679.db2.gz YUUDKYJNOCABQY-RUZDIDTESA-N 1 0 420.484 4.060 50 0 HIAARO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012204210 558352231 /nfs/dbraw/zinc/35/22/31/558352231.db2.gz BXTCSQSQVXODHA-NRFANRHFSA-N 1 0 401.510 4.012 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)c(C)c1 ZINC000012302664 558372362 /nfs/dbraw/zinc/37/23/62/558372362.db2.gz WNMNHRFLMSWUBB-KRWDZBQOSA-N 1 0 408.633 4.283 50 0 HIAARO Cc1ccc2[nH]nc(C(=O)N(C)C[C@H]3CCC[N@H+](CCc4ccccc4F)C3)c2c1 ZINC000012302986 558372600 /nfs/dbraw/zinc/37/26/00/558372600.db2.gz IMNQLHGYYNPMKO-GOSISDBHSA-N 1 0 408.521 4.037 50 0 HIAARO c1ccc(COc2ccccc2OCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020482118 558375270 /nfs/dbraw/zinc/37/52/70/558375270.db2.gz FEGFZIXNXSFDLW-UHFFFAOYSA-N 1 0 402.538 4.462 50 0 HIAARO Brc1cccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000020482344 558375471 /nfs/dbraw/zinc/37/54/71/558375471.db2.gz LAANLAXVBBPWHO-UHFFFAOYSA-N 1 0 403.364 4.426 50 0 HIAARO O=CN1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012373019 558390588 /nfs/dbraw/zinc/39/05/88/558390588.db2.gz RNZAIKJGPVWEEG-UHFFFAOYSA-N 1 0 414.509 4.009 50 0 HIAARO CN(Cc1ccon1)C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012385149 558394294 /nfs/dbraw/zinc/39/42/94/558394294.db2.gz BNLRGAGJABKBRJ-UHFFFAOYSA-N 1 0 417.937 4.386 50 0 HIAARO O=C(c1csc2nc(-c3cccc(F)c3)cn12)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000012430178 558404965 /nfs/dbraw/zinc/40/49/65/558404965.db2.gz XMTGVLHLAIZGGN-INIZCTEOSA-N 1 0 412.534 4.150 50 0 HIAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000012431633 558406256 /nfs/dbraw/zinc/40/62/56/558406256.db2.gz XADLRCJPKYMMSH-QHCPKHFHSA-N 1 0 406.570 4.297 50 0 HIAARO Cc1cccc(-c2ncc(C[N@@H+]3CCC[C@](CO)(Cc4ccc(F)cc4)C3)cn2)c1 ZINC000012438732 558410058 /nfs/dbraw/zinc/41/00/58/558410058.db2.gz JTBJYRAIHZBAAS-VWLOTQADSA-N 1 0 405.517 4.408 50 0 HIAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000012446943 558414525 /nfs/dbraw/zinc/41/45/25/558414525.db2.gz BGNWJVWTIXXLIB-UHFFFAOYSA-N 1 0 422.529 4.211 50 0 HIAARO Cc1ccsc1C(=O)NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000012451287 558416057 /nfs/dbraw/zinc/41/60/57/558416057.db2.gz ANUALIIQBXOCIK-OAQYLSRUSA-N 1 0 412.599 4.433 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1CO ZINC000012465008 558420129 /nfs/dbraw/zinc/42/01/29/558420129.db2.gz KWHKUJDDKIUUDJ-OAQYLSRUSA-N 1 0 411.542 4.460 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc2c1OCO2 ZINC000012465723 558420393 /nfs/dbraw/zinc/42/03/93/558420393.db2.gz MSCVXEWMMPFVSN-INIZCTEOSA-N 1 0 414.477 4.194 50 0 HIAARO CC1(C)C[C@]1(C[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1 ZINC000020906498 558420985 /nfs/dbraw/zinc/42/09/85/558420985.db2.gz YMDBHMFDEBQMQM-QHCPKHFHSA-N 1 0 408.571 4.089 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1cccc(C(F)(F)F)c1 ZINC000012475274 558422534 /nfs/dbraw/zinc/42/25/34/558422534.db2.gz KENNJYJLVFGBOM-INIZCTEOSA-N 1 0 402.460 4.315 50 0 HIAARO COc1c(Cl)cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000020928543 558423936 /nfs/dbraw/zinc/42/39/36/558423936.db2.gz PPFRNMWUPAXUDO-UHFFFAOYSA-N 1 0 424.357 4.250 50 0 HIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012571100 558429023 /nfs/dbraw/zinc/42/90/23/558429023.db2.gz OIYLVXBOQNCOED-QFIPXVFZSA-N 1 0 415.533 4.404 50 0 HIAARO C[C@H](COc1ccccc1)[NH+]1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000012571869 558429458 /nfs/dbraw/zinc/42/94/58/558429458.db2.gz GZANDXCCWDKMAF-LJQANCHMSA-N 1 0 424.541 4.356 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1OC ZINC000012579456 558432145 /nfs/dbraw/zinc/43/21/45/558432145.db2.gz ZMMABDRZOHLBGB-FQEVSTJZSA-N 1 0 422.525 4.229 50 0 HIAARO O=C(c1ccsc1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012583094 558433095 /nfs/dbraw/zinc/43/30/95/558433095.db2.gz RSAYGVYDUREZHQ-NRFANRHFSA-N 1 0 416.562 4.421 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3sccc3C)C2)c(OC)c1 ZINC000012585484 558433872 /nfs/dbraw/zinc/43/38/72/558433872.db2.gz YJMKHWZIMREROX-SFHVURJKSA-N 1 0 416.587 4.382 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C2SCCS2)cc1 ZINC000021319152 558435602 /nfs/dbraw/zinc/43/56/02/558435602.db2.gz JXQWMQDSVLIXED-UHFFFAOYSA-N 1 0 413.612 4.478 50 0 HIAARO CCCC(=O)OC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000004354259 558439772 /nfs/dbraw/zinc/43/97/72/558439772.db2.gz VXRZYVOKODTIHC-QHCPKHFHSA-N 1 0 400.563 4.089 50 0 HIAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C)s2)CC1)c1ccccc1 ZINC000012702637 558448168 /nfs/dbraw/zinc/44/81/68/558448168.db2.gz YSPIPOZSDNSVHD-QFIPXVFZSA-N 1 0 424.570 4.416 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1 ZINC000021805375 558450358 /nfs/dbraw/zinc/45/03/58/558450358.db2.gz PHIMDEQBVLQINO-IBGZPJMESA-N 1 0 411.527 4.369 50 0 HIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000012708608 558451057 /nfs/dbraw/zinc/45/10/57/558451057.db2.gz GZMONLGTVMLMGZ-UHFFFAOYSA-N 1 0 417.933 4.442 50 0 HIAARO COc1cc(OC)cc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)c1 ZINC000004359580 558456619 /nfs/dbraw/zinc/45/66/19/558456619.db2.gz PHRNVOLABSGKJX-UHFFFAOYSA-N 1 0 417.506 4.051 50 0 HIAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000012748801 558458872 /nfs/dbraw/zinc/45/88/72/558458872.db2.gz VLXFPBKFDJXSQX-OAQYLSRUSA-N 1 0 424.566 4.278 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccc(SC)c3)nc21 ZINC000005242636 558466597 /nfs/dbraw/zinc/46/65/97/558466597.db2.gz JGCPXAFETCQERJ-UHFFFAOYSA-N 1 0 401.557 4.235 50 0 HIAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022785013 558510580 /nfs/dbraw/zinc/51/05/80/558510580.db2.gz BKRWBDPITHAZNA-GJZGRUSLSA-N 1 0 406.473 4.070 50 0 HIAARO C[C@H](NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000022795918 558512101 /nfs/dbraw/zinc/51/21/01/558512101.db2.gz LUAVGJKRFZPRNT-FQEVSTJZSA-N 1 0 419.594 4.333 50 0 HIAARO O=C(CCN1CC[NH+](CCc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022930950 558524275 /nfs/dbraw/zinc/52/42/75/558524275.db2.gz AYOPYBSYQRXNSN-UHFFFAOYSA-N 1 0 406.357 4.182 50 0 HIAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]Cc1cccnc1)N1CCCCCCC1 ZINC000023543059 558561633 /nfs/dbraw/zinc/56/16/33/558561633.db2.gz IGYSNSKUZUITAN-UHFFFAOYSA-N 1 0 411.937 4.079 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@H](CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)C1 ZINC000023762191 558574681 /nfs/dbraw/zinc/57/46/81/558574681.db2.gz YBKCMRIFTZBEEV-IBGZPJMESA-N 1 0 402.608 4.229 50 0 HIAARO COc1ccccc1C[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013720880 558581855 /nfs/dbraw/zinc/58/18/55/558581855.db2.gz GHHBQLYIWZYBKM-UHFFFAOYSA-N 1 0 420.509 4.320 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1ccccc1Cl ZINC000013727442 558585032 /nfs/dbraw/zinc/58/50/32/558585032.db2.gz NSPUQYNTNIPGMS-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO O=C1CCCN1CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000013728057 558585430 /nfs/dbraw/zinc/58/54/30/558585430.db2.gz IFKAWNBXYKOTND-UHFFFAOYSA-N 1 0 417.347 4.130 50 0 HIAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731429 558586782 /nfs/dbraw/zinc/58/67/82/558586782.db2.gz RFHCZIVQRIQTJO-UHFFFAOYSA-N 1 0 422.500 4.493 50 0 HIAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014123393 558622784 /nfs/dbraw/zinc/62/27/84/558622784.db2.gz BTGFKXZJXXXRIG-NSHDSACASA-N 1 0 410.301 4.250 50 0 HIAARO O=C(Cc1csc(-c2cccs2)n1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000014189040 558632242 /nfs/dbraw/zinc/63/22/42/558632242.db2.gz RQEFQRNATFXGCW-INIZCTEOSA-N 1 0 401.557 4.351 50 0 HIAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CCc1nc3ccccc3s1)c1ccccc1O2 ZINC000014240661 558643453 /nfs/dbraw/zinc/64/34/53/558643453.db2.gz AVSKLOQMUWJPJU-LJQANCHMSA-N 1 0 421.566 4.333 50 0 HIAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000014746675 558669346 /nfs/dbraw/zinc/66/93/46/558669346.db2.gz XTEXSDZAEYXYRD-OAQYLSRUSA-N 1 0 420.601 4.005 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1cccs1 ZINC000072271139 558673758 /nfs/dbraw/zinc/67/37/58/558673758.db2.gz VBXQPYDLOLEYSC-OAHLLOKOSA-N 1 0 414.556 4.486 50 0 HIAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027582955 558675990 /nfs/dbraw/zinc/67/59/90/558675990.db2.gz WIVYOBVIIMQKOV-DEOSSOPVSA-N 1 0 410.558 4.370 50 0 HIAARO C[C@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000014882850 558676740 /nfs/dbraw/zinc/67/67/40/558676740.db2.gz AFLXNQCOBYTVKT-LJQANCHMSA-N 1 0 406.574 4.400 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027663585 558678961 /nfs/dbraw/zinc/67/89/61/558678961.db2.gz ZHFCYZFPIOLTBC-DEOSSOPVSA-N 1 0 410.558 4.424 50 0 HIAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000014948700 558680542 /nfs/dbraw/zinc/68/05/42/558680542.db2.gz DUIKBAUYYJMXMF-HXUWFJFHSA-N 1 0 411.521 4.012 50 0 HIAARO C[C@@H](CC[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1)c1ccccc1 ZINC000014954013 558681647 /nfs/dbraw/zinc/68/16/47/558681647.db2.gz XIRRPFWAKGKSJT-KRWDZBQOSA-N 1 0 414.933 4.297 50 0 HIAARO CN(C)c1nc(-c2ccccc2)ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000014956911 558682670 /nfs/dbraw/zinc/68/26/70/558682670.db2.gz VSIRRLRYNUJRTG-UHFFFAOYSA-N 1 0 402.542 4.019 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000014971345 558687649 /nfs/dbraw/zinc/68/76/49/558687649.db2.gz NHQQJDALRVCDPO-FQEVSTJZSA-N 1 0 402.542 4.212 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2cc(C)ccc2C(C)C)[NH+]2CCCC2)cc1 ZINC000027992374 558688592 /nfs/dbraw/zinc/68/85/92/558688592.db2.gz APDZWTSGQHWWHK-HSZRJFAPSA-N 1 0 410.558 4.459 50 0 HIAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)c1OC ZINC000014977635 558689931 /nfs/dbraw/zinc/68/99/31/558689931.db2.gz FKLZDSCGQSNOKH-JENJNIGESA-N 1 0 408.542 4.249 50 0 HIAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnc(C)nc4)CC3)c2)c1 ZINC000015073641 558714386 /nfs/dbraw/zinc/71/43/86/558714386.db2.gz VBRNCELLFSCITA-UHFFFAOYSA-N 1 0 416.525 4.311 50 0 HIAARO CC[N@H+](Cc1cnn(C)c1)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000015073979 558714649 /nfs/dbraw/zinc/71/46/49/558714649.db2.gz XNVOANIYXUJACH-UHFFFAOYSA-N 1 0 419.504 4.443 50 0 HIAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000030318396 558728845 /nfs/dbraw/zinc/72/88/45/558728845.db2.gz BHQIWSCPBCNGAE-UHFFFAOYSA-N 1 0 408.505 4.085 50 0 HIAARO COc1cc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)ccc1OCc1ccncc1 ZINC000030629980 558734732 /nfs/dbraw/zinc/73/47/32/558734732.db2.gz CISZDRLAMHDUKU-UHFFFAOYSA-N 1 0 414.509 4.204 50 0 HIAARO COc1ccccc1-c1cc2nc(C)cc(N3CC[NH+](Cc4ccccc4)CC3)n2n1 ZINC000015670912 558748248 /nfs/dbraw/zinc/74/82/48/558748248.db2.gz YSHSYOOJQFIBIW-UHFFFAOYSA-N 1 0 413.525 4.036 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258013 558762893 /nfs/dbraw/zinc/76/28/93/558762893.db2.gz JDINHPVDFCIDLC-UHFFFAOYSA-N 1 0 403.530 4.349 50 0 HIAARO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000004601835 558780653 /nfs/dbraw/zinc/78/06/53/558780653.db2.gz PNJUNCQLAHXGKO-UHFFFAOYSA-N 1 0 421.566 4.248 50 0 HIAARO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000034871993 558786124 /nfs/dbraw/zinc/78/61/24/558786124.db2.gz VMOKLPZUULCAMG-LQBOVUBWSA-N 1 0 416.949 4.129 50 0 HIAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000016575735 558796037 /nfs/dbraw/zinc/79/60/37/558796037.db2.gz BWJYOGZSLHVFMH-KPKJPENVSA-N 1 0 421.541 4.000 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)c(C)c2)CC1 ZINC000032978525 558803489 /nfs/dbraw/zinc/80/34/89/558803489.db2.gz DBXLSRNAZRIEKQ-UHFFFAOYSA-N 1 0 404.514 4.353 50 0 HIAARO CC1CC[NH+]([C@H](CNC(=O)c2cncc(Br)c2)c2cccs2)CC1 ZINC000032983112 558804048 /nfs/dbraw/zinc/80/40/48/558804048.db2.gz PMGLPMABQSZGCH-MRXNPFEDSA-N 1 0 408.365 4.109 50 0 HIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cncc(Br)c2)c2cccs2)CC1 ZINC000032983111 558804058 /nfs/dbraw/zinc/80/40/58/558804058.db2.gz PMGLPMABQSZGCH-INIZCTEOSA-N 1 0 408.365 4.109 50 0 HIAARO CC(C)Cc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017090850 558819570 /nfs/dbraw/zinc/81/95/70/558819570.db2.gz QZHIVUHQAWCQKU-UHFFFAOYSA-N 1 0 416.631 4.160 50 0 HIAARO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017090853 558819585 /nfs/dbraw/zinc/81/95/85/558819585.db2.gz QIVQLPZXRXABSV-SDOQWUHBSA-N 1 0 416.631 4.475 50 0 HIAARO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H]1CC[C@@H]3CCCc4cccc1c43)CC2 ZINC000039062630 558819897 /nfs/dbraw/zinc/81/98/97/558819897.db2.gz JLFMYEAXZNPWBK-NZQKXSOJSA-N 1 0 401.554 4.370 50 0 HIAARO CSCCC[NH+]1CCC(Oc2cccc(C(=O)NCCc3ccccc3)c2)CC1 ZINC000039489924 558821699 /nfs/dbraw/zinc/82/16/99/558821699.db2.gz BHVPZNHHEUOVHY-UHFFFAOYSA-N 1 0 412.599 4.255 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](C2CCSCC2)CC1)Nc1cccc(F)c1 ZINC000019112638 558841797 /nfs/dbraw/zinc/84/17/97/558841797.db2.gz PBSRHTMUJIVEQQ-UHFFFAOYSA-N 1 0 403.527 4.199 50 0 HIAARO CC(C)[N@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccccc1 ZINC000033028854 558852560 /nfs/dbraw/zinc/85/25/60/558852560.db2.gz WZQICZNIRZVNFW-UHFFFAOYSA-N 1 0 405.498 4.265 50 0 HIAARO O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055042308 558870657 /nfs/dbraw/zinc/87/06/57/558870657.db2.gz TZIFVUOABZPQMS-LJQANCHMSA-N 1 0 419.903 4.045 50 0 HIAARO CC1(C)C[C@@]1(C[NH2+]Cc1c(C(=O)N2CCCC2)nc2ccccn21)c1ccccc1 ZINC000055154014 558874447 /nfs/dbraw/zinc/87/44/47/558874447.db2.gz RGKIAPXDZYLYNI-RUZDIDTESA-N 1 0 402.542 4.028 50 0 HIAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055385094 558880644 /nfs/dbraw/zinc/88/06/44/558880644.db2.gz ROPCZVWOZTVGKQ-GULCCPCXSA-N 1 0 411.571 4.447 50 0 HIAARO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000058109278 558899302 /nfs/dbraw/zinc/89/93/02/558899302.db2.gz WGRIOXQVUSWFPC-OAQYLSRUSA-N 1 0 418.324 4.080 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc2ccccc21 ZINC000058170331 558907877 /nfs/dbraw/zinc/90/78/77/558907877.db2.gz IATAOAMFOAPWLJ-HNNXBMFYSA-N 1 0 405.889 4.363 50 0 HIAARO CCCN(C(=O)NCc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058186138 558910490 /nfs/dbraw/zinc/91/04/90/558910490.db2.gz KBCHONFEMMZWFT-OAQYLSRUSA-N 1 0 409.530 4.002 50 0 HIAARO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000058203451 558911861 /nfs/dbraw/zinc/91/18/61/558911861.db2.gz VEGQMDIGUADHKZ-SELNLUPBSA-N 1 0 416.610 4.322 50 0 HIAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000058292143 558916896 /nfs/dbraw/zinc/91/68/96/558916896.db2.gz HMAUDJBMDXAXTR-GMAHTHKFSA-N 1 0 413.537 4.067 50 0 HIAARO Cc1cccc(-c2cc(Nc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)ncn2)c1 ZINC000033261149 558928091 /nfs/dbraw/zinc/92/80/91/558928091.db2.gz DMBWVNZDFHULLF-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1 ZINC000033261267 558928336 /nfs/dbraw/zinc/92/83/36/558928336.db2.gz YFNGWFXPWBEMFE-UHFFFAOYSA-N 1 0 403.530 4.267 50 0 HIAARO CCCn1cc(C[NH2+]C[C@H]2C[C@@](C)(CO)N(CC)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000064609813 558964716 /nfs/dbraw/zinc/96/47/16/558964716.db2.gz ZLKUPTUTMPSNHB-OIBXWCBGSA-N 1 0 419.013 4.179 50 0 HIAARO Cc1nn2c(ncc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c2C)c1-c1ccccc1 ZINC000021914902 558971749 /nfs/dbraw/zinc/97/17/49/558971749.db2.gz WWVMFRKQOUSYLD-UHFFFAOYSA-N 1 0 419.573 4.398 50 0 HIAARO Cc1cc(C)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc(-c3ccncc3)no2)c(C)c1 ZINC000065408398 558977476 /nfs/dbraw/zinc/97/74/76/558977476.db2.gz ZUBMJUMOUGIJRP-IBGZPJMESA-N 1 0 405.502 4.223 50 0 HIAARO CCCn1ccnc1C[N@@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000072412038 558977833 /nfs/dbraw/zinc/97/78/33/558977833.db2.gz TVKNENCNFOAXDW-UHFFFAOYSA-N 1 0 407.484 4.342 50 0 HIAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCO[C@@H](CCO)C2)CCC4)c1 ZINC000072454277 558982817 /nfs/dbraw/zinc/98/28/17/558982817.db2.gz HBIGWWNZTOLFIK-DEOSSOPVSA-N 1 0 402.538 4.282 50 0 HIAARO C[C@@H](NC(=S)Nc1ccccc1Cl)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031464 558985314 /nfs/dbraw/zinc/98/53/14/558985314.db2.gz WJFJCKIMYLSMDE-OXQOHEQNSA-N 1 0 402.995 4.004 50 0 HIAARO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031437 558985371 /nfs/dbraw/zinc/98/53/71/558985371.db2.gz GEGIDCCXASQQMS-JXFKEZNVSA-N 1 0 402.995 4.004 50 0 HIAARO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000067603804 558988240 /nfs/dbraw/zinc/98/82/40/558988240.db2.gz BZKSPZLSYMCHGS-UHFFFAOYSA-N 1 0 424.570 4.367 50 0 HIAARO Cc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)CC2)c1 ZINC000067604277 558988370 /nfs/dbraw/zinc/98/83/70/558988370.db2.gz KVDJFUYXTTZNCK-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO CC[NH+]1CCN(c2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3n2)CC1 ZINC000033282550 559045067 /nfs/dbraw/zinc/04/50/67/559045067.db2.gz ADGQIRQKJBZCCX-UHFFFAOYSA-N 1 0 403.461 4.233 50 0 HIAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000072289909 559077781 /nfs/dbraw/zinc/07/77/81/559077781.db2.gz OPYNDJBGSQLVEV-HXUWFJFHSA-N 1 0 403.526 4.356 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]CCOc2ccccn2)cc1OCC ZINC000113395332 559179798 /nfs/dbraw/zinc/17/97/98/559179798.db2.gz IBQYPYZEXJNSEN-UHFFFAOYSA-N 1 0 409.324 4.200 50 0 HIAARO CCOc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Br)c1OC ZINC000113399197 559180544 /nfs/dbraw/zinc/18/05/44/559180544.db2.gz XSQZOIQOVKZZRK-UHFFFAOYSA-N 1 0 404.308 4.065 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000004909753 559201584 /nfs/dbraw/zinc/20/15/84/559201584.db2.gz MLWGTFZLSMWJNM-UHFFFAOYSA-N 1 0 406.530 4.449 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000004923823 559207508 /nfs/dbraw/zinc/20/75/08/559207508.db2.gz SFJYXWJAAAGPAV-INIZCTEOSA-N 1 0 418.006 4.460 50 0 HIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)sc3c2c1 ZINC000004939372 559211793 /nfs/dbraw/zinc/21/17/93/559211793.db2.gz MEBPZAHNEDCGEF-HOTGVXAUSA-N 1 0 412.555 4.414 50 0 HIAARO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000408518256 559213515 /nfs/dbraw/zinc/21/35/15/559213515.db2.gz XYAKTNPSOVVAQW-ZJSXRUAMSA-N 1 0 422.569 4.322 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004956587 559216829 /nfs/dbraw/zinc/21/68/29/559216829.db2.gz SPSIAOFHMUUJCV-OAQYLSRUSA-N 1 0 419.525 4.203 50 0 HIAARO O[C@@H](C[NH2+]C[C@H]1CCCO1)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004983018 559223814 /nfs/dbraw/zinc/22/38/14/559223814.db2.gz XUFNDGLDAHPAQG-VQTJNVASSA-N 1 0 410.341 4.229 50 0 HIAARO O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000005144868 559252416 /nfs/dbraw/zinc/25/24/16/559252416.db2.gz LDMNIMDGXOTQAS-UHFFFAOYSA-N 1 0 412.603 4.377 50 0 HIAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(c5ccccc5F)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000061992849 560568655 /nfs/dbraw/zinc/56/86/55/560568655.db2.gz PVDOKSPLAGQUIA-AAYSFUBESA-N 1 0 412.549 4.406 50 0 HIAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005345173 560569800 /nfs/dbraw/zinc/56/98/00/560569800.db2.gz XFTZSCCGCCBGFH-HXUWFJFHSA-N 1 0 424.932 4.349 50 0 HIAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000002137392 560584601 /nfs/dbraw/zinc/58/46/01/560584601.db2.gz IZIOHWSZNUHKRR-JFIYKMOQSA-N 1 0 419.780 4.394 50 0 HIAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000003441329 560594782 /nfs/dbraw/zinc/59/47/82/560594782.db2.gz NJKHRSJAFYFJLP-ROUUACIJSA-N 1 0 412.555 4.314 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000008193602 560636182 /nfs/dbraw/zinc/63/61/82/560636182.db2.gz SDAQFRYKWHTPAB-UHFFFAOYSA-N 1 0 410.521 4.420 50 0 HIAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCn1cccc1 ZINC000409414609 560723276 /nfs/dbraw/zinc/72/32/76/560723276.db2.gz NIJBXVXCQUBSEU-XZOQPEGZSA-N 1 0 403.611 4.178 50 0 HIAARO COc1cccc(-c2noc(NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)n2)c1 ZINC000103819687 560844492 /nfs/dbraw/zinc/84/44/92/560844492.db2.gz TXLDKOZIDUVSAG-LJQANCHMSA-N 1 0 421.545 4.066 50 0 HIAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014796336 560851489 /nfs/dbraw/zinc/85/14/89/560851489.db2.gz XGMHZWKIOQLTSG-UHFFFAOYSA-N 1 0 408.933 4.229 50 0 HIAARO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2ccccc2)C[C@@H](O)COC(C)(C)C)C1 ZINC000104982756 560858761 /nfs/dbraw/zinc/85/87/61/560858761.db2.gz HVICNLVSWQTVTE-FGZHOGPDSA-N 1 0 410.558 4.166 50 0 HIAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984408 560859048 /nfs/dbraw/zinc/85/90/48/560859048.db2.gz HJZYRRJFNFLEPM-DHIUTWEWSA-N 1 0 418.512 4.425 50 0 HIAARO COc1cccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000020241810 560883242 /nfs/dbraw/zinc/88/32/42/560883242.db2.gz LPKHVAZVSHKFOO-UHFFFAOYSA-N 1 0 415.537 4.265 50 0 HIAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000046032468 568424781 /nfs/dbraw/zinc/42/47/81/568424781.db2.gz SWBAAXHXCOPQOI-UHFFFAOYSA-N 1 0 420.538 4.239 50 0 HIAARO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048313565 568439196 /nfs/dbraw/zinc/43/91/96/568439196.db2.gz BHZYJPSNCTUBRJ-IBGZPJMESA-N 1 0 417.347 4.081 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000048354664 568441182 /nfs/dbraw/zinc/44/11/82/568441182.db2.gz WTOQISDEDMRGGC-CALCHBBNSA-N 1 0 417.644 4.479 50 0 HIAARO CN(C)C(=O)COc1cccc(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)c1 ZINC000048745654 568443414 /nfs/dbraw/zinc/44/34/14/568443414.db2.gz QSFXHEUZELFSSQ-UHFFFAOYSA-N 1 0 414.452 4.198 50 0 HIAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000006819297 568459554 /nfs/dbraw/zinc/45/95/54/568459554.db2.gz NLUXAPWWWYNHTG-UHFFFAOYSA-N 1 0 413.393 4.455 50 0 HIAARO CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000022238112 568477219 /nfs/dbraw/zinc/47/72/19/568477219.db2.gz DIHCUSVMIVPWDB-UHFFFAOYSA-N 1 0 409.574 4.056 50 0 HIAARO CCc1ccc2c(CC(=O)NC[C@H](c3cccc(OC)c3)[NH+]3CCCC3)coc2c1 ZINC000024973040 568516385 /nfs/dbraw/zinc/51/63/85/568516385.db2.gz DHHOIIIUDWEALV-HSZRJFAPSA-N 1 0 406.526 4.500 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000390829560 568591911 /nfs/dbraw/zinc/59/19/11/568591911.db2.gz ZTCUOFRRIABOEV-MQFRRQCYSA-N 1 0 423.557 4.290 50 0 HIAARO CCN1CCSc2ccc(C(=O)Nc3ccc(CN4CC[NH+](CC)CC4)cc3)cc21 ZINC000020355120 568599735 /nfs/dbraw/zinc/59/97/35/568599735.db2.gz QGRYMGVSYUALFO-UHFFFAOYSA-N 1 0 424.614 4.008 50 0 HIAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000020383885 568602778 /nfs/dbraw/zinc/60/27/78/568602778.db2.gz WSCQJELSEOAECD-RTBURBONSA-N 1 0 414.619 4.120 50 0 HIAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020415980 568606092 /nfs/dbraw/zinc/60/60/92/568606092.db2.gz JXLQXNDHMWTVIS-UHFFFAOYSA-N 1 0 417.557 4.062 50 0 HIAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095408034 568606316 /nfs/dbraw/zinc/60/63/16/568606316.db2.gz XVCGPRDEXSZEKB-UZLBHIALSA-N 1 0 406.448 4.111 50 0 HIAARO CC[N@H+](CCC1CCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)CC1)CC1CC1 ZINC000095458055 568618672 /nfs/dbraw/zinc/61/86/72/568618672.db2.gz XACSPFVRZSREKI-UHFFFAOYSA-N 1 0 412.622 4.292 50 0 HIAARO Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000095460133 568620068 /nfs/dbraw/zinc/62/00/68/568620068.db2.gz BEQBLIJCOFTAQF-UHFFFAOYSA-N 1 0 404.514 4.433 50 0 HIAARO CCC[NH+](CCC)CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980653 568654519 /nfs/dbraw/zinc/65/45/19/568654519.db2.gz NHDDGTCHFSZCDU-UHFFFAOYSA-N 1 0 411.525 4.044 50 0 HIAARO COc1ccccc1[C@H](c1c(O)cc(C)n(Cc2ccco2)c1=O)[NH+]1CCCCC1 ZINC000021098117 568666022 /nfs/dbraw/zinc/66/60/22/568666022.db2.gz ULWACPYLIXRMPU-HSZRJFAPSA-N 1 0 408.498 4.088 50 0 aggregator HIAARO COC[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000225770721 568672994 /nfs/dbraw/zinc/67/29/94/568672994.db2.gz IHRBAUWKEGMRHW-UWJYYQICSA-N 1 0 420.475 4.487 50 0 HIAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCCC3)cc21 ZINC000021167925 568675050 /nfs/dbraw/zinc/67/50/50/568675050.db2.gz OHAMYOOOPKVYRJ-NRFANRHFSA-N 1 0 406.526 4.285 50 0 HIAARO FC(F)(F)c1cnc(OCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c(Cl)c1 ZINC000095985141 568675921 /nfs/dbraw/zinc/67/59/21/568675921.db2.gz BUHFHBODGWGIPT-HZSPNIEDSA-N 1 0 412.930 4.492 50 0 HIAARO Cc1ccc([C@](O)(c2ccc(F)cc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170263 568676274 /nfs/dbraw/zinc/67/62/74/568676274.db2.gz ZPOSSQMHYNXGMX-UIOOFZCWSA-N 1 0 405.513 4.486 50 0 HIAARO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000014245660 568721977 /nfs/dbraw/zinc/72/19/77/568721977.db2.gz XZXUWSJDBXYPAI-RZPFDVGOSA-N 1 0 417.553 4.289 50 0 HIAARO COc1ccc(/C=C\C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000096313911 568725143 /nfs/dbraw/zinc/72/51/43/568725143.db2.gz XDLMLAUUIHNNGW-OWBHPGMISA-N 1 0 408.542 4.409 50 0 HIAARO COc1ccccc1CC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000253613520 568755247 /nfs/dbraw/zinc/75/52/47/568755247.db2.gz JSLRNXZLSQZQCA-UHFFFAOYSA-N 1 0 416.500 4.473 50 0 HIAARO CC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868309 568755900 /nfs/dbraw/zinc/75/59/00/568755900.db2.gz MLECOUVJTDKQRS-UHFFFAOYSA-N 1 0 404.510 4.150 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056806248 568816747 /nfs/dbraw/zinc/81/67/47/568816747.db2.gz WQEGNSWANANEOM-HXUWFJFHSA-N 1 0 417.912 4.267 50 0 HIAARO CC(C)n1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491637 568820192 /nfs/dbraw/zinc/82/01/92/568820192.db2.gz ALQGLWOPHAXOHY-UHFFFAOYSA-N 1 0 406.559 4.470 50 0 HIAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)c1cccc2ccccc21 ZINC000001196849 568823085 /nfs/dbraw/zinc/82/30/85/568823085.db2.gz KBGIOFMNKUTCLO-VWLOTQADSA-N 1 0 414.553 4.295 50 0 HIAARO Cc1ccc([C@@H]([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c2ccccc2)cc1 ZINC000057403295 568832470 /nfs/dbraw/zinc/83/24/70/568832470.db2.gz WSNJCYLIYBXHCN-BCHFMIIMSA-N 1 0 413.521 4.438 50 0 HIAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000029836232 568836910 /nfs/dbraw/zinc/83/69/10/568836910.db2.gz WOAXUHFGEDQBTA-SFHVURJKSA-N 1 0 400.885 4.006 50 0 HIAARO CCOc1ccc([C@@H](O)C[NH+]2CCC(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000057509323 568847652 /nfs/dbraw/zinc/84/76/52/568847652.db2.gz XRUCZIHRADFUAE-QFIPXVFZSA-N 1 0 423.513 4.057 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063907 568853219 /nfs/dbraw/zinc/85/32/19/568853219.db2.gz NZCAEBNZPLDRIC-QNGOZBTKSA-N 1 0 409.555 4.234 50 0 HIAARO Cc1cc2c(C)nc(N3CCC([NH2+][C@@H](Cn4ccnc4)C(C)(C)C)CC3)nc2cc1F ZINC000299768048 568873975 /nfs/dbraw/zinc/87/39/75/568873975.db2.gz FHZHQEGZIDHYKP-QFIPXVFZSA-N 1 0 424.568 4.256 50 0 HIAARO Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670437075 568877494 /nfs/dbraw/zinc/87/74/94/568877494.db2.gz VVTRYXCZMJLDRF-QHCPKHFHSA-N 1 0 415.541 4.194 50 0 HIAARO [NH3+]CCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 ZINC000003312567 568878616 /nfs/dbraw/zinc/87/86/16/568878616.db2.gz FRDCWSSMHFXBOF-UHFFFAOYSA-N 1 0 403.349 4.001 50 0 HIAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000058160049 568894134 /nfs/dbraw/zinc/89/41/34/568894134.db2.gz JCCTXNGHHQZKPL-MOPGFXCFSA-N 1 0 416.521 4.403 50 0 HIAARO C[NH+]1CCN(c2ccc(-c3ccn(C(=O)c4ccc(C(C)(C)C)cc4)n3)cc2)CC1 ZINC000001393528 568925001 /nfs/dbraw/zinc/92/50/01/568925001.db2.gz IADVXBXSAPFSTE-UHFFFAOYSA-N 1 0 402.542 4.288 50 0 HIAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC[NH+]3CCCCC3)cc12 ZINC000012767176 568949099 /nfs/dbraw/zinc/94/90/99/568949099.db2.gz VOQHXNNMOWLDDJ-UHFFFAOYSA-N 1 0 414.550 4.199 50 0 HIAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000229661280 568950924 /nfs/dbraw/zinc/95/09/24/568950924.db2.gz CLFJDEZIXUJXCH-QLWBXOBMSA-N 1 0 421.541 4.122 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1 ZINC000012777026 568955390 /nfs/dbraw/zinc/95/53/90/568955390.db2.gz SUEHXOJMSCJQQE-LBPRGKRZSA-N 1 0 423.826 4.229 50 0 HIAARO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCCCCC3)c2C)c1-c1ccccc1 ZINC000015733128 568983015 /nfs/dbraw/zinc/98/30/15/568983015.db2.gz CLJIVGPACDWUOC-UHFFFAOYSA-N 1 0 405.546 4.009 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000008345471 568994407 /nfs/dbraw/zinc/99/44/07/568994407.db2.gz XFYTYUXTEZXNGI-MZNJEOGPSA-N 1 0 406.526 4.380 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[NH+](C)C)cc1 ZINC000008345470 568994422 /nfs/dbraw/zinc/99/44/22/568994422.db2.gz XFYTYUXTEZXNGI-BXKMTCNYSA-N 1 0 406.526 4.380 50 0 HIAARO CCc1cc([C@@H](c2ccncc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546541 569000294 /nfs/dbraw/zinc/00/02/94/569000294.db2.gz PXYCKWTVUQGJED-OAQYLSRUSA-N 1 0 424.570 4.278 50 0 HIAARO Cc1ccc2c(c1)-c1c(c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nn1C)CS2 ZINC000015782802 569003205 /nfs/dbraw/zinc/00/32/05/569003205.db2.gz YCNWOTQATGASRV-UHFFFAOYSA-N 1 0 410.587 4.092 50 0 HIAARO OCC[C@H]1CN(Cc2cccc(OC3CCCC3)c2)CC[N@@H+]1Cc1cccs1 ZINC000020877763 569008117 /nfs/dbraw/zinc/00/81/17/569008117.db2.gz XDUWKTSBZXLRDI-FQEVSTJZSA-N 1 0 400.588 4.138 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[NH+](C)C)cc1 ZINC000012845407 569010105 /nfs/dbraw/zinc/01/01/05/569010105.db2.gz LINHGNPQLBSWFC-HXUWFJFHSA-N 1 0 413.518 4.075 50 0 HIAARO Cn1nc(-c2ccccc2Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035276379 569016782 /nfs/dbraw/zinc/01/67/82/569016782.db2.gz SROIKVXFNKPKQR-UHFFFAOYSA-N 1 0 408.933 4.135 50 0 HIAARO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000006264158 569036164 /nfs/dbraw/zinc/03/61/64/569036164.db2.gz ZTDZZTLCWKCSGX-FQEVSTJZSA-N 1 0 410.624 4.038 50 0 HIAARO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H](C(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]21 ZINC000245256835 569055490 /nfs/dbraw/zinc/05/54/90/569055490.db2.gz UATZSLNVTLOJRD-ZCLKUGBOSA-N 1 0 422.528 4.471 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3cccc(OC)c3)CC2)c2ccccc21 ZINC000064669837 569078848 /nfs/dbraw/zinc/07/88/48/569078848.db2.gz ABMQIDVQHCEIED-UHFFFAOYSA-N 1 0 405.542 4.198 50 0 HIAARO CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000064690475 569082331 /nfs/dbraw/zinc/08/23/31/569082331.db2.gz OXVZFWOFIDBIGO-UHFFFAOYSA-N 1 0 418.541 4.136 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095755 569090065 /nfs/dbraw/zinc/09/00/65/569090065.db2.gz QSMPTBAAZGPIAG-QFIPXVFZSA-N 1 0 407.510 4.146 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102318 569091849 /nfs/dbraw/zinc/09/18/49/569091849.db2.gz AJNQQLVTZUUXQR-JOCHJYFZSA-N 1 0 405.494 4.030 50 0 HIAARO COc1cccc(Oc2c(C[N@H+](C[C@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305648 569129512 /nfs/dbraw/zinc/12/95/12/569129512.db2.gz QLRHOYXNQGYHRS-SFHVURJKSA-N 1 0 421.541 4.481 50 0 HIAARO COc1ccc(Cc2nc3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3o2)cc1 ZINC000064968446 569138067 /nfs/dbraw/zinc/13/80/67/569138067.db2.gz ZQWBXSUSDRGXMQ-UHFFFAOYSA-N 1 0 407.514 4.033 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344912 569142827 /nfs/dbraw/zinc/14/28/27/569142827.db2.gz AGMUOOOWPSQNBF-XMMPIXPASA-N 1 0 405.542 4.413 50 0 HIAARO Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000065136596 569183373 /nfs/dbraw/zinc/18/33/73/569183373.db2.gz XQZVPFJRKSLDTP-LEWJYISDSA-N 1 0 414.594 4.010 50 0 HIAARO Fc1ccc(OCc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)cc1 ZINC000065255078 569207602 /nfs/dbraw/zinc/20/76/02/569207602.db2.gz HSBBCUPNQCMQCK-UHFFFAOYSA-N 1 0 421.476 4.290 50 0 HIAARO COc1cccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)c1 ZINC000065255048 569207648 /nfs/dbraw/zinc/20/76/48/569207648.db2.gz DWYZBICIUPUOPP-UHFFFAOYSA-N 1 0 403.486 4.248 50 0 HIAARO COc1ccc(-c2cc(CNc3nc(CC[NH3+])nc4sc(C)c(C)c43)on2)cc1 ZINC000065374042 569227140 /nfs/dbraw/zinc/22/71/40/569227140.db2.gz MNBNBXYGJYJGRV-UHFFFAOYSA-N 1 0 409.515 4.085 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007374090 569234227 /nfs/dbraw/zinc/23/42/27/569234227.db2.gz VUYGIQSPVVCKRS-MJGOQNOKSA-N 1 0 410.461 4.010 50 0 HIAARO COc1ccc([C@@H]([NH2+]CCCn2cccn2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606809 569244787 /nfs/dbraw/zinc/24/47/87/569244787.db2.gz QOUREQAGFOXTLT-LEWJYISDSA-N 1 0 414.550 4.012 50 0 HIAARO CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)c1 ZINC000007544133 569248576 /nfs/dbraw/zinc/24/85/76/569248576.db2.gz WFYURZPOMWWIKW-QGZVFWFLSA-N 1 0 408.571 4.230 50 0 HIAARO Cc1c(Cl)ccc2c(C(=O)N3CC[NH+](C(C)C)CC3)cc(-c3ccncc3)nc12 ZINC000013321639 569254915 /nfs/dbraw/zinc/25/49/15/569254915.db2.gz LIFKFEIBSBUNMN-UHFFFAOYSA-N 1 0 408.933 4.425 50 0 HIAARO CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(N(C)C)cc3)nc21 ZINC000007571553 569263385 /nfs/dbraw/zinc/26/33/85/569263385.db2.gz IIWXXOMBOURICS-UHFFFAOYSA-N 1 0 414.600 4.293 50 0 HIAARO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089941474 569269249 /nfs/dbraw/zinc/26/92/49/569269249.db2.gz WEGCQYBKVQMRNY-RXVVDRJESA-N 1 0 407.558 4.035 50 0 HIAARO COC(=O)c1sc2nc(C)nc(NC[C@H](c3ccco3)[NH+]3CCCCC3)c2c1C ZINC000007814916 569312693 /nfs/dbraw/zinc/31/26/93/569312693.db2.gz QMOCSTKBCUVOKS-OAHLLOKOSA-N 1 0 414.531 4.327 50 0 HIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)c2cccs2)CC1 ZINC000027573840 569374800 /nfs/dbraw/zinc/37/48/00/569374800.db2.gz OATZFTLOPCWMAO-INIZCTEOSA-N 1 0 406.935 4.333 50 0 HIAARO CC1=NN(c2ccc(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000328593998 569415581 /nfs/dbraw/zinc/41/55/81/569415581.db2.gz HLEKFRJSSWSLRE-QFIPXVFZSA-N 1 0 404.558 4.305 50 0 HIAARO O=C(CCn1ccc2c1cccc2Br)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079190936 569429288 /nfs/dbraw/zinc/42/92/88/569429288.db2.gz QJGOMUCKPVYVJG-QFBILLFUSA-N 1 0 418.379 4.175 50 0 HIAARO Cc1ccccc1C1(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000089689212 571047784 /nfs/dbraw/zinc/04/77/84/571047784.db2.gz SCYBOAMVUQGKCM-LADGPHEKSA-N 1 0 420.597 4.460 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000008726476 571108587 /nfs/dbraw/zinc/10/85/87/571108587.db2.gz KFNVTJPFDHHJLF-UHFFFAOYSA-N 1 0 410.518 4.200 50 0 HIAARO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCC(C)(C)C[NH+](C)C)c(C)c21 ZINC000008765437 571115461 /nfs/dbraw/zinc/11/54/61/571115461.db2.gz POQDCHMVDZSDPD-UHFFFAOYSA-N 1 0 412.530 4.019 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2)CC1 ZINC000040103855 571164725 /nfs/dbraw/zinc/16/47/25/571164725.db2.gz GFQFLXDPXQSHFD-UHFFFAOYSA-N 1 0 420.479 4.477 50 0 HIAARO Cc1c(=O)c2cccc(C(=O)NCCCC[NH+]3CCCC3)c2oc1-c1ccccc1 ZINC000040116263 571173933 /nfs/dbraw/zinc/17/39/33/571173933.db2.gz YEAFVGXBYJLDIN-UHFFFAOYSA-N 1 0 404.510 4.374 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000040118853 571175128 /nfs/dbraw/zinc/17/51/28/571175128.db2.gz KPFHQJUUZLJRAF-WOJBJXKFSA-N 1 0 417.557 4.032 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(COc3ccccc3F)o2)CC1 ZINC000040130795 571182818 /nfs/dbraw/zinc/18/28/18/571182818.db2.gz DZVNDCOJWGMAPS-UHFFFAOYSA-N 1 0 409.461 4.002 50 0 HIAARO C[C@@H]1C[NH+](C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C[C@@H](C)O1 ZINC000040135263 571188281 /nfs/dbraw/zinc/18/82/81/571188281.db2.gz YOLYATPFCWUWJN-IAGOWNOFSA-N 1 0 408.571 4.436 50 0 HIAARO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000040151183 571199317 /nfs/dbraw/zinc/19/93/17/571199317.db2.gz WZIUZVXFOICOOI-WMZHIEFXSA-N 1 0 408.546 4.077 50 0 HIAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000009043694 571215221 /nfs/dbraw/zinc/21/52/21/571215221.db2.gz CLFJDEZIXUJXCH-HMHJJOSWSA-N 1 0 421.541 4.122 50 0 HIAARO C[C@H]1Sc2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2NC1=O ZINC000009591921 571271868 /nfs/dbraw/zinc/27/18/68/571271868.db2.gz FMXCFBITXVJRRI-MRXNPFEDSA-N 1 0 401.576 4.038 50 0 HIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000009672190 571278616 /nfs/dbraw/zinc/27/86/16/571278616.db2.gz HKXXHRYSSKROHY-JOCHJYFZSA-N 1 0 400.482 4.185 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(F)c1)N(CCC[NH+](C)C)C3=O ZINC000010233138 571297551 /nfs/dbraw/zinc/29/75/51/571297551.db2.gz NHWPEZPDTUEYCI-OAQYLSRUSA-N 1 0 408.473 4.046 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(CCC[NH+](C)C)C3=O ZINC000010233073 571297580 /nfs/dbraw/zinc/29/75/80/571297580.db2.gz YGFAWCSPNXWRMY-HXUWFJFHSA-N 1 0 410.901 4.252 50 0 HIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(I)cc1 ZINC000010311053 571300007 /nfs/dbraw/zinc/30/00/07/571300007.db2.gz FGECJBRECRKFNE-QGZVFWFLSA-N 1 0 406.267 4.067 50 0 HIAARO COc1cccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c1OC ZINC000010330563 571300511 /nfs/dbraw/zinc/30/05/11/571300511.db2.gz LRQDEZRJUMWORR-JOCHJYFZSA-N 1 0 404.510 4.424 50 0 HIAARO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071808643 571301846 /nfs/dbraw/zinc/30/18/46/571301846.db2.gz ZHAYCRKRMZTAII-NRFANRHFSA-N 1 0 412.578 4.150 50 0 HIAARO Cc1ccn2cc(C(=O)N(C)CC3CC[NH+](CCc4ccc(Cl)cc4)CC3)nc2c1 ZINC000011664169 845823344 /nfs/dbraw/zinc/82/33/44/845823344.db2.gz KWPGHNOFBSWSKC-UHFFFAOYSA-N 1 0 424.976 4.323 50 0 HIAARO CN(Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011817690 845836153 /nfs/dbraw/zinc/83/61/53/845836153.db2.gz HWHDJOVPVNCBGP-QFIPXVFZSA-N 1 0 406.549 4.398 50 0 HIAARO COC(=O)Cn1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc21 ZINC000011821656 845836788 /nfs/dbraw/zinc/83/67/88/845836788.db2.gz KRNDTKLLWBQSEM-INIZCTEOSA-N 1 0 420.488 4.298 50 0 HIAARO COc1cc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c2ccccc2n1 ZINC000011843696 845837821 /nfs/dbraw/zinc/83/78/21/845837821.db2.gz NFLQNTMBARARTC-FQEVSTJZSA-N 1 0 403.526 4.023 50 0 HIAARO Cc1ccc(CCC(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)cc1 ZINC000011838923 845837883 /nfs/dbraw/zinc/83/78/83/845837883.db2.gz VBSFAWQXDICCAZ-DEOSSOPVSA-N 1 0 424.560 4.397 50 0 HIAARO O=C(c1cccc(C(F)(F)F)c1)N1CCOc2ccc(C[NH+]3CCCC3)cc2C1 ZINC000011910021 845840206 /nfs/dbraw/zinc/84/02/06/845840206.db2.gz HYYHKTZTMNDSIA-UHFFFAOYSA-N 1 0 404.432 4.336 50 0 HIAARO CSc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000011950892 845842736 /nfs/dbraw/zinc/84/27/36/845842736.db2.gz DRSUWKFLUSTKMR-IBGZPJMESA-N 1 0 406.555 4.445 50 0 HIAARO CCCn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c(C)n1 ZINC000011950127 845842825 /nfs/dbraw/zinc/84/28/25/845842825.db2.gz SWIXBWMPWDOCQB-QHCPKHFHSA-N 1 0 402.533 4.368 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](CCCn2cccn2)CC1 ZINC000012094462 845853176 /nfs/dbraw/zinc/85/31/76/845853176.db2.gz LWXXKOBZNIQGNS-UHFFFAOYSA-N 1 0 423.479 4.180 50 0 HIAARO O=C1c2cccc(N3CC[NH+](C4CCCC4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000012247389 845861732 /nfs/dbraw/zinc/86/17/32/845861732.db2.gz MZAIKIKUUYIJHW-UHFFFAOYSA-N 1 0 423.944 4.201 50 0 HIAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000012297675 845865836 /nfs/dbraw/zinc/86/58/36/845865836.db2.gz KTOXMPPOGFHZAC-UHFFFAOYSA-N 1 0 413.525 4.383 50 0 HIAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012298227 845865964 /nfs/dbraw/zinc/86/59/64/845865964.db2.gz FYZYOQQOWHXROR-RUZDIDTESA-N 1 0 419.525 4.313 50 0 HIAARO Cc1nc2ccccc2nc1C[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000012571072 845876471 /nfs/dbraw/zinc/87/64/71/845876471.db2.gz XATOISOWHNJFTI-UHFFFAOYSA-N 1 0 418.545 4.101 50 0 HIAARO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000012740644 845888028 /nfs/dbraw/zinc/88/80/28/845888028.db2.gz KFMPOPGKAYFZJA-UHFFFAOYSA-N 1 0 415.607 4.077 50 0 HIAARO CCOc1cc(/C=C/C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000012779938 845890564 /nfs/dbraw/zinc/89/05/64/845890564.db2.gz RUGOOWPJVXVQAJ-YXBWYFRISA-N 1 0 414.933 4.151 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)c1 ZINC000014951401 845994724 /nfs/dbraw/zinc/99/47/24/845994724.db2.gz HLNVJHTZFDIITK-IBGZPJMESA-N 1 0 422.569 4.452 50 0 HIAARO COc1ccc(CC[NH2+][C@H]2CCc3c(sc4ncn(C5CCCC5)c(=O)c34)C2)cc1 ZINC000014978796 845995915 /nfs/dbraw/zinc/99/59/15/845995915.db2.gz PXBLNGOERXDDOD-KRWDZBQOSA-N 1 0 423.582 4.271 50 0 HIAARO COC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)C1 ZINC000014963510 845995968 /nfs/dbraw/zinc/99/59/68/845995968.db2.gz AIUYWDUJQOASGB-SFHVURJKSA-N 1 0 409.505 4.464 50 0 HIAARO COc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000014993976 845997929 /nfs/dbraw/zinc/99/79/29/845997929.db2.gz NLHDZETZYLBUEE-IBGZPJMESA-N 1 0 406.448 4.385 50 0 HIAARO CCN(CC[NH+](C)C)C(=O)c1sc2ncnc(N[C@H](C)c3cccs3)c2c1C ZINC000015071177 846005586 /nfs/dbraw/zinc/00/55/86/846005586.db2.gz ORAZKSACRWDMSE-CQSZACIVSA-N 1 0 417.604 4.258 50 0 HIAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C1CC[NH+](C)CC1)CC2 ZINC000016672213 846196770 /nfs/dbraw/zinc/19/67/70/846196770.db2.gz FKPOPDKBWPCXCZ-QHCPKHFHSA-N 1 0 400.950 4.399 50 0 HIAARO OCCOc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 ZINC000019782306 846372862 /nfs/dbraw/zinc/37/28/62/846372862.db2.gz VDEKISZROHEIER-IBGZPJMESA-N 1 0 411.933 4.481 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020271338 846381966 /nfs/dbraw/zinc/38/19/66/846381966.db2.gz AULZSLANGMKZND-KXOMFBTKSA-N 1 0 421.585 4.004 50 0 HIAARO COc1ccccc1N1CCC([N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)CC1 ZINC000020600564 846385466 /nfs/dbraw/zinc/38/54/66/846385466.db2.gz QPKPXEYWGIMZQW-DEOSSOPVSA-N 1 0 405.586 4.187 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000020877991 846392162 /nfs/dbraw/zinc/39/21/62/846392162.db2.gz OGIGOJWYYLQWLX-FPRZSRDOSA-N 1 0 409.618 4.106 50 0 HIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000048884218 849278012 /nfs/dbraw/zinc/27/80/12/849278012.db2.gz OHANJVMGLZMFRM-QZTJIDSGSA-N 1 0 412.578 4.094 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000048884213 849278256 /nfs/dbraw/zinc/27/82/56/849278256.db2.gz OHANJVMGLZMFRM-HDICACEKSA-N 1 0 412.578 4.094 50 0 HIAARO O=C1CC[N@@H+](Cc2cccc3cccnc32)CCN1Cc1ccccc1C(F)(F)F ZINC000064061602 851822841 /nfs/dbraw/zinc/82/28/41/851822841.db2.gz DUZJBJCWGBVTRQ-UHFFFAOYSA-N 1 0 413.443 4.488 50 0 HIAARO Cc1ccc(-c2ccc(C[N@@H+]3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)cc2)o1 ZINC000104472262 852670584 /nfs/dbraw/zinc/67/05/84/852670584.db2.gz ZLLMFBQOSXDPFX-XMMPIXPASA-N 1 0 405.542 4.027 50 0 HIAARO CC(C)CCN1C(=O)CC[C@]2(C(=O)N3CCC([NH+]4CCCCC4)CC3)CCCC[C@@H]12 ZINC000169755891 853657121 /nfs/dbraw/zinc/65/71/21/853657121.db2.gz WEQKYDFODBQHBN-RCZVLFRGSA-N 1 0 417.638 4.061 50 0 HIAARO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776641 853662180 /nfs/dbraw/zinc/66/21/80/853662180.db2.gz JMTCRKFCBVHAHF-RUZDIDTESA-N 1 0 418.581 4.434 50 0 HIAARO Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([N@H+](Cc2ccccc2)C2CC2)CCO3)cn1 ZINC000169776757 853663747 /nfs/dbraw/zinc/66/37/47/853663747.db2.gz RLDYAYUBLSMRKA-DEOSSOPVSA-N 1 0 419.569 4.208 50 0 HIAARO COc1ccc(C(=O)N2CCC([N@@H+]3CC4(CCCC4)[C@H]3c3ccccc3)CC2)cn1 ZINC000169791404 853664829 /nfs/dbraw/zinc/66/48/29/853664829.db2.gz GKXMTCSMLHRNHF-HSZRJFAPSA-N 1 0 405.542 4.312 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2ccccc2)CN1Cc1cccc(Cl)c1 ZINC000299786598 854281716 /nfs/dbraw/zinc/28/17/16/854281716.db2.gz WJBLCJLXIQEPAX-YMHNHTLVSA-N 1 0 411.977 4.112 50 0 HIAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cc3cccc(C)c3nc2N(C)C)cc1 ZINC000299797894 854281994 /nfs/dbraw/zinc/28/19/94/854281994.db2.gz PGONDYQPJONRCP-UHFFFAOYSA-N 1 0 404.558 4.122 50 0 HIAARO CCOc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](Cc1nc(C3CC3)no1)CCO2 ZINC000575545595 948677155 /nfs/dbraw/zinc/67/71/55/948677155.db2.gz LIVJJMIOWJSHBG-GOSISDBHSA-N 1 0 411.546 4.350 50 0 HIAARO CCOc1ccc2[nH]c3c(ncnc3N3CC[NH+](C/C=C/c4ccccc4)CC3)c2c1 ZINC000002419147 132254462 /nfs/dbraw/zinc/25/44/62/132254462.db2.gz GCDFKDOBLRSOTI-RMKNXTFCSA-N 1 0 413.525 4.345 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc12 ZINC000008595791 132330944 /nfs/dbraw/zinc/33/09/44/132330944.db2.gz FEZHYTSWKSJAKR-UHFFFAOYSA-N 1 0 411.456 4.217 50 0 HIAARO OC[C@@H]1CCCN(c2nc3cc4c(cc3cc2C[NH2+]CCC2=CCCCC2)OCO4)C1 ZINC000014885806 132460561 /nfs/dbraw/zinc/46/05/61/132460561.db2.gz WYZORCBKKLICDV-LJQANCHMSA-N 1 0 423.557 4.152 50 0 HIAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)no2)cc1 ZINC000032622785 520804415 /nfs/dbraw/zinc/80/44/15/520804415.db2.gz AXMQPJLIUGPHQV-JOCHJYFZSA-N 1 0 405.498 4.307 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)ccc1Br)c1ccsc1 ZINC000031988660 520865929 /nfs/dbraw/zinc/86/59/29/520865929.db2.gz VFKORLOFAIRNTL-QGZVFWFLSA-N 1 0 411.365 4.332 50 0 HIAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036246095 520938797 /nfs/dbraw/zinc/93/87/97/520938797.db2.gz UJCSZMHJGIIRKV-OAQYLSRUSA-N 1 0 415.578 4.186 50 0 HIAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000032772080 521699104 /nfs/dbraw/zinc/69/91/04/521699104.db2.gz KHLDJELZUUSFCO-LJQANCHMSA-N 1 0 406.574 4.065 50 0 HIAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccccc1C ZINC000040733425 522439980 /nfs/dbraw/zinc/43/99/80/522439980.db2.gz UIMITOIKJFXIJO-UHFFFAOYSA-N 1 0 408.336 4.206 50 0 HIAARO COc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)ccc1OCC(=O)N1CCCC1 ZINC000025359312 522472764 /nfs/dbraw/zinc/47/27/64/522472764.db2.gz FXUHIKHUMGGKOX-INIZCTEOSA-N 1 0 402.922 4.201 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(c2cnccn2)C1)C1CCCCC1 ZINC000045714807 523375035 /nfs/dbraw/zinc/37/50/35/523375035.db2.gz UOODLHMASJADNT-FQEVSTJZSA-N 1 0 407.562 4.096 50 0 HIAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3csc(-c4ccco4)n3)cc2)C1 ZINC000032930096 524233290 /nfs/dbraw/zinc/23/32/90/524233290.db2.gz PHPMGHHJJJPCDN-QGZVFWFLSA-N 1 0 409.555 4.494 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC000045980541 524409540 /nfs/dbraw/zinc/40/95/40/524409540.db2.gz GGFKDSRJSSHFOQ-LJQANCHMSA-N 1 0 405.542 4.203 50 0 HIAARO COc1ccccc1CC[NH2+]Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000040739162 524422386 /nfs/dbraw/zinc/42/23/86/524422386.db2.gz VPJUCQZKEIFUBF-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCCSc2nnnn2C)c1 ZINC000040744831 524447142 /nfs/dbraw/zinc/44/71/42/524447142.db2.gz XUMOBXAUMJPNCF-UHFFFAOYSA-N 1 0 417.966 4.023 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000032814828 524754132 /nfs/dbraw/zinc/75/41/32/524754132.db2.gz XGDMKWCYIKCRML-MRXNPFEDSA-N 1 0 401.938 4.044 50 0 HIAARO COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000072328166 525113132 /nfs/dbraw/zinc/11/31/32/525113132.db2.gz MAGMOWVUYKVSGY-MRXNPFEDSA-N 1 0 400.544 4.288 50 0 HIAARO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734657 526017782 /nfs/dbraw/zinc/01/77/82/526017782.db2.gz BWZVOXPXKGLBJB-UHFFFAOYSA-N 1 0 422.500 4.493 50 0 HIAARO CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032594008 526077391 /nfs/dbraw/zinc/07/73/91/526077391.db2.gz HEUORGNBNJZVBU-NRFANRHFSA-N 1 0 422.550 4.320 50 0 HIAARO OCC[NH2+]CCNCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000040720148 527554287 /nfs/dbraw/zinc/55/42/87/527554287.db2.gz HKVLXDLJBCGJOD-UHFFFAOYSA-N 1 0 419.352 4.397 50 0 HIAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743146 527556819 /nfs/dbraw/zinc/55/68/19/527556819.db2.gz PUOUVEIVYZKCGO-UHFFFAOYSA-N 1 0 404.721 4.324 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000004909567 536424279 /nfs/dbraw/zinc/42/42/79/536424279.db2.gz RHFBQAJZKIOCJD-UHFFFAOYSA-N 1 0 405.523 4.312 50 0 HIAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccccc1C(F)(F)F ZINC000002514744 557353750 /nfs/dbraw/zinc/35/37/50/557353750.db2.gz ZPMHLFTWQZINBP-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO COc1ccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 ZINC000002546619 557355822 /nfs/dbraw/zinc/35/58/22/557355822.db2.gz NXAREGDEQVKDSV-NRFANRHFSA-N 1 0 405.440 4.364 50 0 HIAARO COc1ccc(C[NH+]2CCC(N(C(C)=O)c3ccc(C)c(F)c3)CC2)c(OC)c1 ZINC000034682716 557384652 /nfs/dbraw/zinc/38/46/52/557384652.db2.gz HSUKUHHUENGIRS-UHFFFAOYSA-N 1 0 400.494 4.169 50 0 HIAARO Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000034684146 557386902 /nfs/dbraw/zinc/38/69/02/557386902.db2.gz UHOZITYJUUNUCX-UHFFFAOYSA-N 1 0 417.528 4.386 50 0 HIAARO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683584 557387016 /nfs/dbraw/zinc/38/70/16/557387016.db2.gz IODMDRIHQUBWJF-UHFFFAOYSA-N 1 0 424.438 4.489 50 0 HIAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000004177078 557525195 /nfs/dbraw/zinc/52/51/95/557525195.db2.gz IXIFGHGIRITVND-INIZCTEOSA-N 1 0 409.368 4.072 50 0 HIAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000004324678 557541667 /nfs/dbraw/zinc/54/16/67/557541667.db2.gz FNWBWRHVMKSYAK-UHFFFAOYSA-N 1 0 408.933 4.229 50 0 HIAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCc2ccccc2C1 ZINC000004744890 557591624 /nfs/dbraw/zinc/59/16/24/557591624.db2.gz QCHCENGYNVKSHO-FQEVSTJZSA-N 1 0 413.359 4.246 50 0 HIAARO CC[NH+](CC)CCNC(=O)/C(=C/c1ccc(C(C)C)cc1)NC(=O)c1ccc(C)cc1 ZINC000002677420 557739741 /nfs/dbraw/zinc/73/97/41/557739741.db2.gz QQLJFAQOHIAXGG-MOHJPFBDSA-N 1 0 421.585 4.347 50 0 HIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cnn(-c5ccccc5)c4)C3)C2)c1 ZINC000011662263 558266125 /nfs/dbraw/zinc/26/61/25/558266125.db2.gz POEPXDKSEOLXQI-SANMLTNESA-N 1 0 414.553 4.309 50 0 HIAARO COc1ccc2[nH]c(C(=O)N(C)CC3CC[NH+](CCc4ccc(F)cc4)CC3)cc2c1 ZINC000011662391 558266245 /nfs/dbraw/zinc/26/62/45/558266245.db2.gz RRPBWIRAACBPMA-UHFFFAOYSA-N 1 0 423.532 4.342 50 0 HIAARO CCCCc1nc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000011664744 558268112 /nfs/dbraw/zinc/26/81/12/558268112.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 1 0 424.633 4.080 50 0 HIAARO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000011664849 558268417 /nfs/dbraw/zinc/26/84/17/558268417.db2.gz JBYGPFKDNUBPII-LJQANCHMSA-N 1 0 416.997 4.288 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703473 558270534 /nfs/dbraw/zinc/27/05/34/558270534.db2.gz XSPKMHIAWFOWPR-QFIPXVFZSA-N 1 0 418.585 4.267 50 0 HIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000011762577 558273551 /nfs/dbraw/zinc/27/35/51/558273551.db2.gz RAAKHJJYHAESHJ-UHFFFAOYSA-N 1 0 413.514 4.015 50 0 HIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCn2ccnc2C)c1 ZINC000019792710 558283420 /nfs/dbraw/zinc/28/34/20/558283420.db2.gz GIQFUIVNWDXMCW-UHFFFAOYSA-N 1 0 401.514 4.185 50 0 HIAARO Cc1c([C@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1F ZINC000011821381 558284506 /nfs/dbraw/zinc/28/45/06/558284506.db2.gz WBSNAPFTWCMSEO-INIZCTEOSA-N 1 0 411.500 4.169 50 0 HIAARO COc1ccc(-n2cc(C[NH2+]CCc3cccnc3)c(-c3cccc(F)c3)n2)cc1 ZINC000019800115 558285394 /nfs/dbraw/zinc/28/53/94/558285394.db2.gz DVSIUNFBZPWSSO-UHFFFAOYSA-N 1 0 402.473 4.414 50 0 HIAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)ccc1F ZINC000011843480 558288332 /nfs/dbraw/zinc/28/83/32/558288332.db2.gz OIWFTMJIFOPYIG-UHFFFAOYSA-N 1 0 422.504 4.049 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCCC[C@@H]2CO)cc1F ZINC000011873548 558291233 /nfs/dbraw/zinc/29/12/33/558291233.db2.gz SSKLFHMKTZYMSR-HXUWFJFHSA-N 1 0 409.505 4.342 50 0 HIAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000011873356 558291291 /nfs/dbraw/zinc/29/12/91/558291291.db2.gz WKYMHFKKLVLEIC-MRXNPFEDSA-N 1 0 403.954 4.236 50 0 HIAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000011878497 558292829 /nfs/dbraw/zinc/29/28/29/558292829.db2.gz DAWWVVGXEOQCEZ-LJQANCHMSA-N 1 0 420.509 4.298 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)N1CCOCC1 ZINC000011879730 558294280 /nfs/dbraw/zinc/29/42/80/558294280.db2.gz IBLHMJLXGLSBMT-UHFFFAOYSA-N 1 0 408.542 4.330 50 0 HIAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019848205 558294909 /nfs/dbraw/zinc/29/49/09/558294909.db2.gz LRZVZUMYEPWATA-KIZRYQFWSA-N 1 0 410.558 4.303 50 0 HIAARO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)cc1 ZINC000011997859 558307203 /nfs/dbraw/zinc/30/72/03/558307203.db2.gz UVORHYOTIPMCGJ-QPPBQGQZSA-N 1 0 410.533 4.280 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012023005 558309788 /nfs/dbraw/zinc/30/97/88/558309788.db2.gz SNJDUKVAYJXDMG-KRWDZBQOSA-N 1 0 408.468 4.423 50 0 HIAARO Cc1cccc(-n2cc(C[NH2+]CCN3CCCCC3=O)c(-c3cccc(F)c3)n2)c1 ZINC000012051915 558314336 /nfs/dbraw/zinc/31/43/36/558314336.db2.gz DWZRZSDZUKCHGW-UHFFFAOYSA-N 1 0 406.505 4.089 50 0 HIAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020036848 558325128 /nfs/dbraw/zinc/32/51/28/558325128.db2.gz HBIMSLFXCJQNRH-UHFFFAOYSA-N 1 0 400.478 4.268 50 0 HIAARO Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CC[NH+](CCC(C)C)CC2)n(C)n1 ZINC000012129681 558332041 /nfs/dbraw/zinc/33/20/41/558332041.db2.gz SZHXDXSEDBMERH-QHCPKHFHSA-N 1 0 410.606 4.170 50 0 HIAARO CCCCc1nc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c[nH]1 ZINC000020138448 558338230 /nfs/dbraw/zinc/33/82/30/558338230.db2.gz GJBIYNRDQTUSEQ-QFIPXVFZSA-N 1 0 416.013 4.192 50 0 HIAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000012201531 558351472 /nfs/dbraw/zinc/35/14/72/558351472.db2.gz WDHFSKNBTMXLBD-HSZRJFAPSA-N 1 0 410.562 4.427 50 0 HIAARO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012300119 558370100 /nfs/dbraw/zinc/37/01/00/558370100.db2.gz PHUXNENBROMIGZ-HXUWFJFHSA-N 1 0 408.590 4.483 50 0 HIAARO COCc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccc(OC)cc3OC)CC2)o1 ZINC000012315076 558378639 /nfs/dbraw/zinc/37/86/39/558378639.db2.gz SZEHGLAQAVBSLV-UHFFFAOYSA-N 1 0 416.518 4.074 50 0 HIAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012387489 558396511 /nfs/dbraw/zinc/39/65/11/558396511.db2.gz VNSHOZIZKFPSPS-OAHLLOKOSA-N 1 0 410.436 4.422 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1 ZINC000012432279 558406649 /nfs/dbraw/zinc/40/66/49/558406649.db2.gz WYFYZNXFBNRHFD-QFIPXVFZSA-N 1 0 418.541 4.429 50 0 HIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)cc1F ZINC000012438715 558410038 /nfs/dbraw/zinc/41/00/38/558410038.db2.gz QMWURRWMOVTHNI-KRWDZBQOSA-N 1 0 411.452 4.458 50 0 HIAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c(F)c1 ZINC000012439321 558410893 /nfs/dbraw/zinc/41/08/93/558410893.db2.gz UZULTHKOQJIJSG-UHFFFAOYSA-N 1 0 422.504 4.049 50 0 HIAARO CCc1ccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)o1 ZINC000012440816 558411682 /nfs/dbraw/zinc/41/16/82/558411682.db2.gz GIUFTALNJOWAEA-UHFFFAOYSA-N 1 0 412.530 4.130 50 0 HIAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]CCCn1ccc2ccccc21 ZINC000012444399 558413209 /nfs/dbraw/zinc/41/32/09/558413209.db2.gz QAPWEJFVQUYYRX-UHFFFAOYSA-N 1 0 417.557 4.341 50 0 HIAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012570660 558428698 /nfs/dbraw/zinc/42/86/98/558428698.db2.gz HTDAKFBSMFVGDN-RUZDIDTESA-N 1 0 409.526 4.286 50 0 HIAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012577409 558431585 /nfs/dbraw/zinc/43/15/85/558431585.db2.gz GLWYBXSZPVUVQY-OAQYLSRUSA-N 1 0 418.541 4.300 50 0 HIAARO COc1cc(OC)c(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000012579539 558432110 /nfs/dbraw/zinc/43/21/10/558432110.db2.gz DRKBNVPIPQDMBZ-HSZRJFAPSA-N 1 0 419.949 4.183 50 0 HIAARO CCN(CC[NH+]1CCCC1)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1 ZINC000012590183 558435331 /nfs/dbraw/zinc/43/53/31/558435331.db2.gz SNLKIOLSYFYCGX-UHFFFAOYSA-N 1 0 405.926 4.082 50 0 HIAARO COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)c(OC)c1OC ZINC000021841291 558451737 /nfs/dbraw/zinc/45/17/37/558451737.db2.gz WILIMXPPGYUFJO-GOSISDBHSA-N 1 0 404.576 4.337 50 0 HIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(OC)c(OC)c1OC)=[N+]2C ZINC000004362326 558459453 /nfs/dbraw/zinc/45/94/53/558459453.db2.gz PABJIJGHBMKQEE-JLHYYAGUSA-N 1 0 410.490 4.218 50 0 HIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccccc1 ZINC000022075447 558462372 /nfs/dbraw/zinc/46/23/72/558462372.db2.gz ZVRFWAWBVPEFSG-UHFFFAOYSA-N 1 0 407.352 4.078 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N1CC=C(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012794651 558467698 /nfs/dbraw/zinc/46/76/98/558467698.db2.gz NVKOOQUKXFJGOP-AREMUKBSSA-N 1 0 420.553 4.451 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000012302400 558477856 /nfs/dbraw/zinc/47/78/56/558477856.db2.gz MMCROMHQEOAFNL-UHFFFAOYSA-N 1 0 414.933 4.284 50 0 HIAARO COc1cccc([C@@H](CNC(=O)COc2ccc(Nc3ccccc3)cc2)[NH+](C)C)c1 ZINC000022683216 558504364 /nfs/dbraw/zinc/50/43/64/558504364.db2.gz CAKAGYVRXORAEM-XMMPIXPASA-N 1 0 419.525 4.237 50 0 HIAARO C[N@H+](C[C@H](O)COCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238134 558544934 /nfs/dbraw/zinc/54/49/34/558544934.db2.gz IDPPVBCRAKJMDN-DHLKQENFSA-N 1 0 423.484 4.153 50 0 HIAARO Fc1ccc(-c2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cc1 ZINC000023248389 558545664 /nfs/dbraw/zinc/54/56/64/558545664.db2.gz QGLOSNKREKVCCV-UHFFFAOYSA-N 1 0 402.473 4.347 50 0 HIAARO CCN1C[C@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O ZINC000013594457 558546841 /nfs/dbraw/zinc/54/68/41/558546841.db2.gz QCGWBWHIOXGCBH-NRFANRHFSA-N 1 0 416.569 4.456 50 0 HIAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1 ZINC000013727616 558584933 /nfs/dbraw/zinc/58/49/33/558584933.db2.gz HNMTVOTYLCHFNU-UHFFFAOYSA-N 1 0 416.949 4.420 50 0 HIAARO COc1ccccc1-c1nc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000013731244 558586786 /nfs/dbraw/zinc/58/67/86/558586786.db2.gz KVUHYFJBHHZJGI-UHFFFAOYSA-N 1 0 421.566 4.142 50 0 HIAARO Cc1oc2cc3oc(=O)c(CC(=O)NCC[NH+](C)C)c(C)c3cc2c1-c1ccccc1 ZINC000013735023 558588212 /nfs/dbraw/zinc/58/82/12/558588212.db2.gz GEQAWOHZWYZIOA-UHFFFAOYSA-N 1 0 418.493 4.043 50 0 HIAARO CCOc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000013774857 558592305 /nfs/dbraw/zinc/59/23/05/558592305.db2.gz LWUPPCQEAPWKDY-QHCPKHFHSA-N 1 0 417.476 4.337 50 0 HIAARO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000014120193 558622339 /nfs/dbraw/zinc/62/23/39/558622339.db2.gz MSZUGXURTBXIII-UHFFFAOYSA-N 1 0 402.520 4.283 50 0 HIAARO CC[C@@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1Cc1ccccc1)[NH+](C)C ZINC000014230996 558639850 /nfs/dbraw/zinc/63/98/50/558639850.db2.gz GCMKIJQWNPIWAM-QFIPXVFZSA-N 1 0 421.614 4.491 50 0 HIAARO COc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)N2CCCC2)cc1 ZINC000025764588 558649282 /nfs/dbraw/zinc/64/92/82/558649282.db2.gz NBIHFXFSUINSAU-BVAGGSTKSA-N 1 0 420.553 4.015 50 0 HIAARO Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)ccc1Cl ZINC000026121788 558655905 /nfs/dbraw/zinc/65/59/05/558655905.db2.gz LGHMKKMUNLZXJL-UHFFFAOYSA-N 1 0 412.921 4.148 50 0 HIAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000014532408 558656657 /nfs/dbraw/zinc/65/66/57/558656657.db2.gz OVBHYVRFRCUNKD-JOCHJYFZSA-N 1 0 411.590 4.097 50 0 HIAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C)c(F)c1)C2 ZINC000014534445 558657592 /nfs/dbraw/zinc/65/75/92/558657592.db2.gz VAMZBWYXFGQKTL-LJQANCHMSA-N 1 0 412.553 4.014 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000014628521 558662214 /nfs/dbraw/zinc/66/22/14/558662214.db2.gz ACHOKVSKLMXIMU-LJQANCHMSA-N 1 0 403.320 4.025 50 0 HIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)CSc3ccccc3C)CC2)c1 ZINC000026954370 558667554 /nfs/dbraw/zinc/66/75/54/558667554.db2.gz XDTLXWFIDCAKPX-UHFFFAOYSA-N 1 0 411.615 4.114 50 0 HIAARO COc1cc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc(OC)c1 ZINC000027574500 558675276 /nfs/dbraw/zinc/67/52/76/558675276.db2.gz ZZGBAMKBJQFFLL-NRFANRHFSA-N 1 0 416.587 4.287 50 0 HIAARO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000014879257 558675467 /nfs/dbraw/zinc/67/54/67/558675467.db2.gz WDWWRUNAZXQOHB-QHCPKHFHSA-N 1 0 406.570 4.219 50 0 HIAARO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)cc1 ZINC000014879256 558675573 /nfs/dbraw/zinc/67/55/73/558675573.db2.gz WDWWRUNAZXQOHB-HSZRJFAPSA-N 1 0 406.570 4.219 50 0 HIAARO COc1ccc([C@H](CNC(=O)CCc2nc3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000027668053 558679943 /nfs/dbraw/zinc/67/99/43/558679943.db2.gz ITWIHJUXPYUUHN-NRFANRHFSA-N 1 0 407.514 4.112 50 0 HIAARO CC(C)c1nc(CNCc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)cs1 ZINC000014948196 558680287 /nfs/dbraw/zinc/68/02/87/558680287.db2.gz SHJWSSSPOWABOE-OAQYLSRUSA-N 1 0 417.619 4.172 50 0 HIAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000014949615 558680782 /nfs/dbraw/zinc/68/07/82/558680782.db2.gz FEBOEAKWPRTPOK-LJQANCHMSA-N 1 0 417.465 4.093 50 0 HIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000014949970 558680808 /nfs/dbraw/zinc/68/08/08/558680808.db2.gz LBJJSPIKWQBZRZ-SFHVURJKSA-N 1 0 414.546 4.168 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccc(C)s3)CC2)c1 ZINC000014951199 558681121 /nfs/dbraw/zinc/68/11/21/558681121.db2.gz CURIERSTGWZKBZ-UHFFFAOYSA-N 1 0 400.544 4.001 50 0 HIAARO COc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027747063 558681411 /nfs/dbraw/zinc/68/14/11/558681411.db2.gz VMLDCQVHTKXXHJ-JOCHJYFZSA-N 1 0 416.949 4.461 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)c1 ZINC000014972392 558687917 /nfs/dbraw/zinc/68/79/17/558687917.db2.gz JXOAXKOAXNATJZ-GOSISDBHSA-N 1 0 400.563 4.399 50 0 HIAARO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000014975639 558689020 /nfs/dbraw/zinc/68/90/20/558689020.db2.gz DWBCZFJRCQRXDB-KRWDZBQOSA-N 1 0 403.473 4.295 50 0 HIAARO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000014979483 558690561 /nfs/dbraw/zinc/69/05/61/558690561.db2.gz KFJPQUYALCKDMT-IBGZPJMESA-N 1 0 410.587 4.300 50 0 HIAARO COCCN(Cc1cc2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014981350 558691961 /nfs/dbraw/zinc/69/19/61/558691961.db2.gz DCOVMMIZWHFJPM-NRFANRHFSA-N 1 0 417.597 4.496 50 0 HIAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000015000615 558697582 /nfs/dbraw/zinc/69/75/82/558697582.db2.gz BVPVWGJYCGRMJF-HXUWFJFHSA-N 1 0 408.571 4.496 50 0 HIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028292676 558698255 /nfs/dbraw/zinc/69/82/55/558698255.db2.gz VAEVVSJWNKRLMO-IBGZPJMESA-N 1 0 410.901 4.403 50 0 HIAARO COc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1OCc1ccccc1 ZINC000004551360 558703889 /nfs/dbraw/zinc/70/38/89/558703889.db2.gz VCCOXXLTNBALMI-UHFFFAOYSA-N 1 0 408.542 4.109 50 0 HIAARO C[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC(=O)NC1CCCC1 ZINC000028800023 558704792 /nfs/dbraw/zinc/70/47/92/558704792.db2.gz WADRTRRNVQFRNK-DYESRHJHSA-N 1 0 418.541 4.046 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)Cc2cccnc2)CC1 ZINC000015064437 558707230 /nfs/dbraw/zinc/70/72/30/558707230.db2.gz LNJUNJVKGQMCLG-UHFFFAOYSA-N 1 0 409.574 4.030 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]CCN3CCCCC3=O)c(-c3cccc(C)c3)n2)cc1 ZINC000015071113 558712995 /nfs/dbraw/zinc/71/29/95/558712995.db2.gz VOHUNXHZMPYUDD-UHFFFAOYSA-N 1 0 402.542 4.258 50 0 HIAARO Cc1cnc2c(cccc2S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000029349588 558714018 /nfs/dbraw/zinc/71/40/18/558714018.db2.gz FQZAHRRHFMPCIO-UHFFFAOYSA-N 1 0 409.555 4.008 50 0 HIAARO CC[NH+](CC)[C@H](C(=O)NCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000072283994 558714610 /nfs/dbraw/zinc/71/46/10/558714610.db2.gz VFPWFGYVUJUAOY-FQEVSTJZSA-N 1 0 424.463 4.422 50 0 HIAARO C[C@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1nccs1 ZINC000015075314 558715750 /nfs/dbraw/zinc/71/57/50/558715750.db2.gz AUWMHGNPIZYTJT-KRWDZBQOSA-N 1 0 422.554 4.073 50 0 HIAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1OC)CCC2 ZINC000004554282 558721727 /nfs/dbraw/zinc/72/17/27/558721727.db2.gz NLTUVPXIQUBZAU-UHFFFAOYSA-N 1 0 421.950 4.089 50 0 HIAARO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1OC ZINC000004555317 558724326 /nfs/dbraw/zinc/72/43/26/558724326.db2.gz PAMQTNGQIKRATH-IBGZPJMESA-N 1 0 401.532 4.351 50 0 HIAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000072289908 558724328 /nfs/dbraw/zinc/72/43/28/558724328.db2.gz OPYNDJBGSQLVEV-FQEVSTJZSA-N 1 0 403.526 4.356 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc(C2CC2)nc2ccccc21)c1ccco1 ZINC000029977809 558725175 /nfs/dbraw/zinc/72/51/75/558725175.db2.gz RPMPKHMBHLSLFV-IBGZPJMESA-N 1 0 424.570 4.392 50 0 HIAARO Brc1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)cc2c1OCO2 ZINC000030912699 558744387 /nfs/dbraw/zinc/74/43/87/558744387.db2.gz YOYOTPMKFILUGX-UHFFFAOYSA-N 1 0 404.304 4.016 50 0 HIAARO CCS[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000072303493 558755947 /nfs/dbraw/zinc/75/59/47/558755947.db2.gz GLIYGQSVFUSNAY-LMMKCTJWSA-N 1 0 400.510 4.231 50 0 HIAARO COc1ccc(CNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1OC ZINC000071281978 558764927 /nfs/dbraw/zinc/76/49/27/558764927.db2.gz XRVVOPGCPLEEKY-UHFFFAOYSA-N 1 0 416.521 4.041 50 0 HIAARO CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016741933 558803849 /nfs/dbraw/zinc/80/38/49/558803849.db2.gz RWAOYTGQRHGUNA-HSZRJFAPSA-N 1 0 418.537 4.469 50 0 HIAARO Cc1ccc(-c2noc(-c3cccnc3N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000033004350 558827050 /nfs/dbraw/zinc/82/70/50/558827050.db2.gz YBAFZYOKCNMVSO-UHFFFAOYSA-N 1 0 411.509 4.429 50 0 HIAARO C[NH+](C)CCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(F)cc1 ZINC000036114620 558864731 /nfs/dbraw/zinc/86/47/31/558864731.db2.gz SWSGXBXAXJJBGM-UHFFFAOYSA-N 1 0 413.518 4.065 50 0 HIAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(C)s3)CC2)c(Cl)c1 ZINC000055036535 558870074 /nfs/dbraw/zinc/87/00/74/558870074.db2.gz CTIFKCZRGZGYTP-UHFFFAOYSA-N 1 0 422.978 4.130 50 0 HIAARO c1ccc(C[N@H+]2CCC[C@@]3(CCCN(Cc4nc(-c5ccccn5)no4)C3)C2)cc1 ZINC000055198863 558875793 /nfs/dbraw/zinc/87/57/93/558875793.db2.gz XKAYWHFLISPUOD-XMMPIXPASA-N 1 0 403.530 4.010 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033129608 558885448 /nfs/dbraw/zinc/88/54/48/558885448.db2.gz BGXKUUFLWFYMAQ-UHFFFAOYSA-N 1 0 408.477 4.149 50 0 HIAARO O=C(NC1CCCCCCC1)[C@@H]1c2ccccc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000004686226 558895477 /nfs/dbraw/zinc/89/54/77/558895477.db2.gz VNCAZVNSWLKYTI-QHCPKHFHSA-N 1 0 411.590 4.289 50 0 HIAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000058022993 558896105 /nfs/dbraw/zinc/89/61/05/558896105.db2.gz JDLKDDRRVXMPOW-QFIPXVFZSA-N 1 0 406.530 4.105 50 0 HIAARO CCC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 ZINC000058156844 558902992 /nfs/dbraw/zinc/90/29/92/558902992.db2.gz SIPVIKCAFJFVMK-UHFFFAOYSA-N 1 0 416.569 4.383 50 0 HIAARO CC[C@@](C)(CNC(=O)Nc1ccc(N2CCc3ccccc32)cc1)N1CCOCC1 ZINC000058157670 558903362 /nfs/dbraw/zinc/90/33/62/558903362.db2.gz SYYCXJUKQBGXTA-DEOSSOPVSA-N 1 0 408.546 4.003 50 0 HIAARO Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCC[NH+]4CCCC4)c3)ncn2)c1 ZINC000033260924 558926431 /nfs/dbraw/zinc/92/64/31/558926431.db2.gz CUPMUSARDKVFMH-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO C[NH+](C)[C@H](CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccc(F)cc1 ZINC000059394338 558935341 /nfs/dbraw/zinc/93/53/41/558935341.db2.gz QYVQUVAWKSXRCL-GOSISDBHSA-N 1 0 422.838 4.018 50 0 HIAARO OCC1CC[NH+](Cc2ccccc2NCc2ccc(Br)cc2F)CC1 ZINC000060381886 558948130 /nfs/dbraw/zinc/94/81/30/558948130.db2.gz KMGYKIWVEMPCSN-UHFFFAOYSA-N 1 0 407.327 4.405 50 0 HIAARO Cc1cccc2cc(CN3CC[N@@H+](C)[C@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000072412250 558977741 /nfs/dbraw/zinc/97/77/41/558977741.db2.gz IZPKBHYCBIMNRY-JOCHJYFZSA-N 1 0 409.961 4.362 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[N@H+](C)CC2)cc1F ZINC000072425880 558978972 /nfs/dbraw/zinc/97/89/72/558978972.db2.gz CPISKYAJLKVQRK-UHFFFAOYSA-N 1 0 408.521 4.133 50 0 HIAARO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031400 558985451 /nfs/dbraw/zinc/98/54/51/558985451.db2.gz XKMHUPMHVSUKQK-OXJNMPFZSA-N 1 0 402.995 4.004 50 0 HIAARO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000067630166 558990479 /nfs/dbraw/zinc/99/04/79/558990479.db2.gz WQDDYHQCGMWYAG-UHFFFAOYSA-N 1 0 422.504 4.055 50 0 HIAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC(C)(C)C1 ZINC000022467473 558996166 /nfs/dbraw/zinc/99/61/66/558996166.db2.gz XXQPFLGJWKRVOP-QIJUGHKUSA-N 1 0 409.014 4.050 50 0 HIAARO CCCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023211934 559059021 /nfs/dbraw/zinc/05/90/21/559059021.db2.gz PCERGTMSKSOCSQ-NRFANRHFSA-N 1 0 402.966 4.163 50 0 HIAARO Cc1cccc(-c2ccc(NC(=O)C3CCN(c4cc(C)[nH+]c(N)n4)CC3)cc2)c1 ZINC000095517312 559084643 /nfs/dbraw/zinc/08/46/43/559084643.db2.gz PAAYAAKXGQVBIO-UHFFFAOYSA-N 1 0 401.514 4.198 50 0 HIAARO Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000011544198 559089568 /nfs/dbraw/zinc/08/95/68/559089568.db2.gz ZFOQSFSTEKJPQT-OAQYLSRUSA-N 1 0 408.571 4.000 50 0 HIAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000113400996 559180720 /nfs/dbraw/zinc/18/07/20/559180720.db2.gz FFQUPTVMFSCEMB-UHFFFAOYSA-N 1 0 414.509 4.221 50 0 HIAARO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000024023057 559187836 /nfs/dbraw/zinc/18/78/36/559187836.db2.gz OIXMKZAMKHPCOE-HSZRJFAPSA-N 1 0 407.489 4.020 50 0 HIAARO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccccn1 ZINC000024023061 559187840 /nfs/dbraw/zinc/18/78/40/559187840.db2.gz PTPJPFHCUFPKNJ-DEOSSOPVSA-N 1 0 421.516 4.266 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000004952571 559215986 /nfs/dbraw/zinc/21/59/86/559215986.db2.gz WUUQEWYAIUGZDW-KGENOOAVSA-N 1 0 409.555 4.152 50 0 HIAARO COc1cccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)c1 ZINC000004961490 559217604 /nfs/dbraw/zinc/21/76/04/559217604.db2.gz DXKUMTAVSOAREH-UHFFFAOYSA-N 1 0 404.514 4.217 50 0 HIAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]CCCOC(C)C ZINC000004992309 559224904 /nfs/dbraw/zinc/22/49/04/559224904.db2.gz VFXKFIACFQZVQR-YADHBBJMSA-N 1 0 416.949 4.216 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC)c(OC)c3)=NN12 ZINC000005092101 559243891 /nfs/dbraw/zinc/24/38/91/559243891.db2.gz ZATXLCPZSKSJCW-NRFANRHFSA-N 1 0 421.541 4.449 50 0 HIAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4ncsc4c3)sc2c1 ZINC000005115123 559247195 /nfs/dbraw/zinc/24/71/95/559247195.db2.gz YBGKCIFWQMRJBJ-UHFFFAOYSA-N 1 0 412.540 4.123 50 0 HIAARO COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1OCC[NH3+] ZINC000426503284 559274439 /nfs/dbraw/zinc/27/44/39/559274439.db2.gz LUUYTBQYKXICIX-UHFFFAOYSA-N 1 0 400.494 4.147 50 0 HIAARO COc1cccc(C(=O)N(CC[NH+](C)C)c2nc3c(s2)c(Cl)ccc3OC)c1 ZINC000005256897 560550745 /nfs/dbraw/zinc/55/07/45/560550745.db2.gz BEEYXQAWDAMZDS-UHFFFAOYSA-N 1 0 419.934 4.175 50 0 HIAARO Cc1c(C)n(C[C@H](O)C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)c2ccccc12 ZINC000005612602 560630785 /nfs/dbraw/zinc/63/07/85/560630785.db2.gz MEUDZLHQBCXDFC-RCXJIHSJSA-N 1 0 406.570 4.425 50 0 HIAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000108126524 560897941 /nfs/dbraw/zinc/89/79/41/560897941.db2.gz YEPVQVVGAUDJFL-AJSBUHFISA-N 1 0 412.574 4.267 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000048240105 568433219 /nfs/dbraw/zinc/43/32/19/568433219.db2.gz PBBSSYUBMFETER-IAGOWNOFSA-N 1 0 416.591 4.158 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000048310171 568436539 /nfs/dbraw/zinc/43/65/39/568436539.db2.gz NIMVNEHCJCOTIC-HDICACEKSA-N 1 0 412.578 4.094 50 0 HIAARO CCOc1ccc([C@@H](C)NC(=O)c2cn(CC[NH+](C)C)c3ccccc23)cc1OC ZINC000048302457 568437681 /nfs/dbraw/zinc/43/76/81/568437681.db2.gz MAWYEDCDWRIGFP-QGZVFWFLSA-N 1 0 409.530 4.101 50 0 HIAARO COc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000020927317 568460639 /nfs/dbraw/zinc/46/06/39/568460639.db2.gz VSDUSQUKAGGDKP-OAHLLOKOSA-N 1 0 415.125 4.043 50 0 HIAARO COc1cc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)ccc1OCc1ccccc1 ZINC000000785877 568477071 /nfs/dbraw/zinc/47/70/71/568477071.db2.gz ADRBPSHKRJKDCP-UHFFFAOYSA-N 1 0 410.558 4.401 50 0 HIAARO COc1ccc([C@H](CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)[NH+](C)C)cc1 ZINC000022621348 568495727 /nfs/dbraw/zinc/49/57/27/568495727.db2.gz DIIJJIDKXVRHAV-QFIPXVFZSA-N 1 0 421.541 4.319 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000020111195 568588501 /nfs/dbraw/zinc/58/85/01/568588501.db2.gz YPMLFSMYZFGFFZ-BFXCOLBMSA-N 1 0 408.586 4.118 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccccc1C ZINC000020436138 568607226 /nfs/dbraw/zinc/60/72/26/568607226.db2.gz JHIFRBNTYOQAKU-UHFFFAOYSA-N 1 0 409.530 4.219 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1cccc(F)c1 ZINC000020436121 568607257 /nfs/dbraw/zinc/60/72/57/568607257.db2.gz GVQKGMKRPMSVOY-UHFFFAOYSA-N 1 0 413.493 4.049 50 0 HIAARO CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446445 568612086 /nfs/dbraw/zinc/61/20/86/568612086.db2.gz ZRAOIVLDVHSHPI-UXHICEINSA-N 1 0 410.965 4.280 50 0 HIAARO CC[N@H+](CCC1CCN(C(=O)c2c[nH]nc2-c2ccc(OC)cc2)CC1)CC1CC1 ZINC000095458128 568618982 /nfs/dbraw/zinc/61/89/82/568618982.db2.gz PMKJOSSAIXFNLV-UHFFFAOYSA-N 1 0 410.562 4.060 50 0 HIAARO O=C(CSc1ncnc2c1sc1cccc(F)c12)NCC[NH+]1CCCCCC1 ZINC000021153435 568672810 /nfs/dbraw/zinc/67/28/10/568672810.db2.gz SEAHRYBWSUWKHL-UHFFFAOYSA-N 1 0 418.563 4.068 50 0 HIAARO OC1(c2cccc(Cl)c2)CCC([NH2+]Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000096009161 568683463 /nfs/dbraw/zinc/68/34/63/568683463.db2.gz GDFRYXDTOPBUPP-UHFFFAOYSA-N 1 0 414.977 4.092 50 0 HIAARO Cc1nn2c(ncc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2C)c1-c1cccc(C)c1 ZINC000021537901 568712963 /nfs/dbraw/zinc/71/29/63/568712963.db2.gz BJEXPFVOMMPRCZ-GOSISDBHSA-N 1 0 419.573 4.316 50 0 HIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420323 568720370 /nfs/dbraw/zinc/72/03/70/568720370.db2.gz FHWCVDLJGBHESL-YRGRVCCFSA-N 1 0 421.173 4.214 50 0 HIAARO Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCC[C@H](C)[NH+]2CCCCCC2)o1 ZINC000096324160 568733397 /nfs/dbraw/zinc/73/33/97/568733397.db2.gz GRRJVWZQMFGWDJ-INIZCTEOSA-N 1 0 410.518 4.484 50 0 HIAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248118096 568747472 /nfs/dbraw/zinc/74/74/72/568747472.db2.gz TZMQJESTKIALMA-OAQYLSRUSA-N 1 0 404.558 4.454 50 0 HIAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)/C=C(\C)CCc3ccccc3)cc2)CC1 ZINC000096402667 568750336 /nfs/dbraw/zinc/75/03/36/568750336.db2.gz GSPWLLUUZXGQEL-ZBJSNUHESA-N 1 0 405.586 4.019 50 0 HIAARO CC[NH+](CC)CCOC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000021789109 568753022 /nfs/dbraw/zinc/75/30/22/568753022.db2.gz JLZACGZNVDESTE-UHFFFAOYSA-N 1 0 420.435 4.222 50 0 HIAARO C[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021798147 568754067 /nfs/dbraw/zinc/75/40/67/568754067.db2.gz OVZBUKHJIIKKDO-UHFFFAOYSA-N 1 0 403.917 4.493 50 0 HIAARO Cc1ccccc1Nc1nc(NCC[NH+](CC(C)C)CC(C)C)nc2c1cnn2C ZINC000021928644 568761633 /nfs/dbraw/zinc/76/16/33/568761633.db2.gz RNUPFDTVIYVGKJ-UHFFFAOYSA-N 1 0 409.582 4.441 50 0 HIAARO Cc1n(C)c(-c2ccc(C)cc2)c[n+]1-c1c(=O)n(-c2ccccc2)n2c1CCCCC2 ZINC000001095958 568769568 /nfs/dbraw/zinc/76/95/68/568769568.db2.gz VHDRHBIJCZMNSA-UHFFFAOYSA-N 1 0 413.545 4.264 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002890455 568814976 /nfs/dbraw/zinc/81/49/76/568814976.db2.gz CWTSIBTUVNERAR-HXUWFJFHSA-N 1 0 410.901 4.333 50 0 HIAARO Clc1cccc(Cn2nc(C[NH2+]CCCn3ccnc3)c(-c3ccccc3)n2)c1 ZINC000261491667 568820126 /nfs/dbraw/zinc/82/01/26/568820126.db2.gz BTBUZEUHOVCZJD-UHFFFAOYSA-N 1 0 406.921 4.023 50 0 HIAARO Fc1cccc(Cl)c1Cn1nc(C[NH2+]CCCn2ccnc2)c(-c2ccccc2)n1 ZINC000261491968 568820173 /nfs/dbraw/zinc/82/01/73/568820173.db2.gz NBWHSVRZPFSJTP-UHFFFAOYSA-N 1 0 424.911 4.162 50 0 HIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000012516678 568840655 /nfs/dbraw/zinc/84/06/55/568840655.db2.gz KDIUGTWZWPKFNJ-VWLOTQADSA-N 1 0 423.557 4.374 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1cccc(F)c1 ZINC000012522620 568842209 /nfs/dbraw/zinc/84/22/09/568842209.db2.gz HRDRHXJZAZQFLY-XMMPIXPASA-N 1 0 414.484 4.469 50 0 HIAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000029911638 568850005 /nfs/dbraw/zinc/85/00/05/568850005.db2.gz JDTIRTNFRLOULR-UHFFFAOYSA-N 1 0 418.541 4.348 50 0 HIAARO Cc1ccc([C@H](NCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547259 568852601 /nfs/dbraw/zinc/85/26/01/568852601.db2.gz HEDPYSADSXQTFP-XNMGPUDCSA-N 1 0 413.565 4.065 50 0 HIAARO Cc1ccc([C@H](NCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547268 568852717 /nfs/dbraw/zinc/85/27/17/568852717.db2.gz HEDPYSADSXQTFP-AHKZPQOWSA-N 1 0 413.565 4.065 50 0 HIAARO Cc1ccc([C@@H](NCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547271 568852843 /nfs/dbraw/zinc/85/28/43/568852843.db2.gz HEDPYSADSXQTFP-BDYUSTAISA-N 1 0 413.565 4.065 50 0 HIAARO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003178789 568860101 /nfs/dbraw/zinc/86/01/01/568860101.db2.gz DTPXOPHEXZTIJV-UHFFFAOYSA-N 1 0 400.588 4.007 50 0 HIAARO CC[C@@H](C)CCCC[N+]1=C2SCCCN2[C@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000003227411 568864230 /nfs/dbraw/zinc/86/42/30/568864230.db2.gz BSNNKOCTOAMLPY-IIBYNOLFSA-N 1 0 413.554 4.471 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000263586281 568879161 /nfs/dbraw/zinc/87/91/61/568879161.db2.gz SCTRVODRCACHKZ-ISJGIBHGSA-N 1 0 423.601 4.011 50 0 HIAARO COc1ccc([C@@H](CNC(=O)Cc2c(Cl)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000003334502 568882599 /nfs/dbraw/zinc/88/25/99/568882599.db2.gz AUWWKUNGDALURF-HXUWFJFHSA-N 1 0 407.341 4.498 50 0 HIAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(NC(=O)C(C)(C)C)c3)CC2)cc1 ZINC000031225406 568919801 /nfs/dbraw/zinc/91/98/01/568919801.db2.gz PJTDMEAVUGDVFI-UHFFFAOYSA-N 1 0 407.558 4.328 50 0 HIAARO Cn1c2ccc(C(=O)OC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2nc1C(F)(F)F ZINC000084311100 568946030 /nfs/dbraw/zinc/94/60/30/568946030.db2.gz OPMKDTCFGDEJOX-INIZCTEOSA-N 1 0 417.431 4.271 50 0 HIAARO C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000084651521 568954584 /nfs/dbraw/zinc/95/45/84/568954584.db2.gz UZHCKSMWYCWQNZ-AWEZNQCLSA-N 1 0 422.978 4.330 50 0 HIAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000084705640 568956310 /nfs/dbraw/zinc/95/63/10/568956310.db2.gz JXXUXUFCVNBPGJ-PMACEKPBSA-N 1 0 402.542 4.101 50 0 HIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000015679775 568966883 /nfs/dbraw/zinc/96/68/83/568966883.db2.gz SFORJSXTOGVVQI-UHFFFAOYSA-N 1 0 401.532 4.038 50 0 HIAARO Cc1nc(COc2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)cs1 ZINC000008075786 568972528 /nfs/dbraw/zinc/97/25/28/568972528.db2.gz ZIVUHCPZEFAXLT-HXUWFJFHSA-N 1 0 411.527 4.190 50 0 HIAARO Cc1noc(C)c1COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000008156450 568978000 /nfs/dbraw/zinc/97/80/00/568978000.db2.gz NZJUJPIQMHBTJC-JOCHJYFZSA-N 1 0 423.513 4.420 50 0 HIAARO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000008188080 568980659 /nfs/dbraw/zinc/98/06/59/568980659.db2.gz IDVCDIOODFOVGB-HSZRJFAPSA-N 1 0 419.521 4.404 50 0 HIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3noc4c3CCc3sccc3-4)CC2)c1 ZINC000015733235 568982979 /nfs/dbraw/zinc/98/29/79/568982979.db2.gz CCWDMPFGKWRLNA-UHFFFAOYSA-N 1 0 421.566 4.452 50 0 HIAARO CCc1ccc2c(CC(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)coc2c1 ZINC000008229569 568983348 /nfs/dbraw/zinc/98/33/48/568983348.db2.gz FKUWITPYZNJJHK-QHCPKHFHSA-N 1 0 406.526 4.500 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649693 569005710 /nfs/dbraw/zinc/00/57/10/569005710.db2.gz LHSMFSDCIKGXKI-UHFFFAOYSA-N 1 0 421.520 4.488 50 0 HIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012874958 569013481 /nfs/dbraw/zinc/01/34/81/569013481.db2.gz IMAQXERITYBGOB-UHFFFAOYSA-N 1 0 412.493 4.395 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc(F)c1 ZINC000012927116 569023868 /nfs/dbraw/zinc/02/38/68/569023868.db2.gz RNPKQDHRVFBUJJ-LJQANCHMSA-N 1 0 415.896 4.486 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927697 569023989 /nfs/dbraw/zinc/02/39/89/569023989.db2.gz JXWJDGDNNAEWFI-FYYLOGMGSA-N 1 0 422.573 4.130 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012927701 569023995 /nfs/dbraw/zinc/02/39/95/569023995.db2.gz JXWJDGDNNAEWFI-JTHBVZDNSA-N 1 0 422.573 4.130 50 0 HIAARO CC(=O)Nc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000012941562 569028628 /nfs/dbraw/zinc/02/86/28/569028628.db2.gz NVEXWOJJWCTRHR-OAQYLSRUSA-N 1 0 411.552 4.354 50 0 HIAARO CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035396887 569034765 /nfs/dbraw/zinc/03/47/65/569034765.db2.gz OZBMQFZCLUGQBX-UHFFFAOYSA-N 1 0 418.541 4.500 50 0 HIAARO C[NH+](C)CCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccccc1C(F)(F)F ZINC000006734906 569041604 /nfs/dbraw/zinc/04/16/04/569041604.db2.gz NBESRZVVBXBNBL-QGZVFWFLSA-N 1 0 403.448 4.387 50 0 HIAARO O=C(/C=C/c1cccc(Cl)c1Cl)NC[C@H](c1cccs1)N1CCOCC1 ZINC000032999981 569047918 /nfs/dbraw/zinc/04/79/18/569047918.db2.gz WJFYEJGSTXIJLF-FYCOFBDGSA-N 1 0 411.354 4.258 50 0 HIAARO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](CCC(C)C)CC2)n1 ZINC000035925689 569066370 /nfs/dbraw/zinc/06/63/70/569066370.db2.gz XUIWYMMAQWKZSF-UHFFFAOYSA-N 1 0 406.578 4.326 50 0 HIAARO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)N[C@@H](C)c3ccccc3)CC1)cn2C ZINC000064669657 569078830 /nfs/dbraw/zinc/07/88/30/569078830.db2.gz CXZBDJOOLJZHRL-SFHVURJKSA-N 1 0 405.542 4.276 50 0 HIAARO CCc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000064669700 569078905 /nfs/dbraw/zinc/07/89/05/569078905.db2.gz FLRUNLPLHWOJCK-UHFFFAOYSA-N 1 0 419.569 4.278 50 0 HIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)c1 ZINC000036031687 569081063 /nfs/dbraw/zinc/08/10/63/569081063.db2.gz JQKMAGVQKHMHHG-QHCPKHFHSA-N 1 0 419.521 4.474 50 0 HIAARO COc1cc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)cc(OC)c1 ZINC000036095132 569089835 /nfs/dbraw/zinc/08/98/35/569089835.db2.gz CRFOXPNYENHTMW-QFIPXVFZSA-N 1 0 401.547 4.130 50 0 HIAARO CC(C)CC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000006695642 569091653 /nfs/dbraw/zinc/09/16/53/569091653.db2.gz BITYTUYNHJJVBM-OAQYLSRUSA-N 1 0 411.521 4.460 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102172 569091832 /nfs/dbraw/zinc/09/18/32/569091832.db2.gz DANDMDXSEGBKJN-JOCHJYFZSA-N 1 0 407.510 4.146 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102358 569091892 /nfs/dbraw/zinc/09/18/92/569091892.db2.gz OUBRMTJJTLZPGZ-XMMPIXPASA-N 1 0 409.501 4.414 50 0 HIAARO CCc1sc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000006708192 569095436 /nfs/dbraw/zinc/09/54/36/569095436.db2.gz WVXOGHGJJZCHBV-UHFFFAOYSA-N 1 0 407.377 4.467 50 0 HIAARO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)C1 ZINC000036145791 569098406 /nfs/dbraw/zinc/09/84/06/569098406.db2.gz HVICNLVSWQTVTE-FCHUYYIVSA-N 1 0 410.558 4.166 50 0 HIAARO COc1cccc(CN(C[C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]O2)C(=O)CC(C)C)c1 ZINC000006722554 569099690 /nfs/dbraw/zinc/09/96/90/569099690.db2.gz OBBKPMUAGPPEDU-QHCPKHFHSA-N 1 0 423.557 4.329 50 0 HIAARO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000064820213 569102537 /nfs/dbraw/zinc/10/25/37/569102537.db2.gz SJVDEBQOOUIFEV-NSHDSACASA-N 1 0 412.353 4.078 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C[C@@H](O)COCC ZINC000036249887 569119162 /nfs/dbraw/zinc/11/91/62/569119162.db2.gz BSYABDWUJIVZCQ-OAQYLSRUSA-N 1 0 415.578 4.187 50 0 HIAARO COc1cccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679572 569126856 /nfs/dbraw/zinc/12/68/56/569126856.db2.gz NQCIRBLFTLMGGH-NOZRDPDXSA-N 1 0 423.601 4.446 50 0 HIAARO CC(C)[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000006809483 569133448 /nfs/dbraw/zinc/13/34/48/569133448.db2.gz QOROKKITURMUGQ-FCHUYYIVSA-N 1 0 420.391 4.439 50 0 HIAARO CC(C)c1ccc(-c2ccnc3c(C(=O)NCC[NH+]4CCCCCC4)cnn32)cc1 ZINC000065026674 569155713 /nfs/dbraw/zinc/15/57/13/569155713.db2.gz RSGLRORXFBKQOU-UHFFFAOYSA-N 1 0 405.546 4.126 50 0 HIAARO C[C@@H](Cc1ccco1)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000065060081 569163954 /nfs/dbraw/zinc/16/39/54/569163954.db2.gz LIEZIOXGWWBZRN-INIZCTEOSA-N 1 0 413.949 4.384 50 0 HIAARO Cc1ccc(CNC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000006877424 569164304 /nfs/dbraw/zinc/16/43/04/569164304.db2.gz XHKLLDVLRDWMHV-KRWDZBQOSA-N 1 0 408.571 4.396 50 0 HIAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000006877629 569164592 /nfs/dbraw/zinc/16/45/92/569164592.db2.gz KMDNDHIWGJNWFC-UHFFFAOYSA-N 1 0 417.456 4.212 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000036397282 569169942 /nfs/dbraw/zinc/16/99/42/569169942.db2.gz DPQCPAIGYPDIGJ-AWEZNQCLSA-N 1 0 404.967 4.014 50 0 HIAARO Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000065136598 569183388 /nfs/dbraw/zinc/18/33/88/569183388.db2.gz XQZVPFJRKSLDTP-SFTDATJTSA-N 1 0 414.594 4.010 50 0 HIAARO CSc1ncc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000006938212 569185361 /nfs/dbraw/zinc/18/53/61/569185361.db2.gz OCWKGJDKLNECCU-UHFFFAOYSA-N 1 0 406.555 4.117 50 0 HIAARO O=C(CCn1ccc2ccc(Br)cc21)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036584678 569203029 /nfs/dbraw/zinc/20/30/29/569203029.db2.gz QQYGRJKCRMSBOA-IEBWSBKVSA-N 1 0 418.379 4.175 50 0 HIAARO COc1cccc(Cc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)c1 ZINC000065255054 569207660 /nfs/dbraw/zinc/20/76/60/569207660.db2.gz MJHJPQLGYOGSGN-UHFFFAOYSA-N 1 0 417.513 4.172 50 0 HIAARO Clc1cccc(C[N@@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257950 569209861 /nfs/dbraw/zinc/20/98/61/569209861.db2.gz PJMJWBUQUIPJTA-UHFFFAOYSA-N 1 0 409.921 4.375 50 0 HIAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(OC)cc2)CC1 ZINC000007105973 569220171 /nfs/dbraw/zinc/22/01/71/569220171.db2.gz MUSGEUHPJGUADH-UHFFFAOYSA-N 1 0 401.938 4.062 50 0 HIAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000065479690 569231705 /nfs/dbraw/zinc/23/17/05/569231705.db2.gz RERRNOKZDXSUQJ-AWEZNQCLSA-N 1 0 407.436 4.110 50 0 HIAARO COc1ccc(SCC(=O)N(CC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000010219152 569253768 /nfs/dbraw/zinc/25/37/68/569253768.db2.gz JZCHZZZIENPMNP-UHFFFAOYSA-N 1 0 419.547 4.131 50 0 HIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000014043237 569258366 /nfs/dbraw/zinc/25/83/66/569258366.db2.gz SZSWUKSUYDIXHW-OAQYLSRUSA-N 1 0 408.505 4.301 50 0 HIAARO CCc1cc2c(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3OC)cc(=O)oc2cc1O ZINC000007740740 569305372 /nfs/dbraw/zinc/30/53/72/569305372.db2.gz DKNRVOMHAULXAT-FQEVSTJZSA-N 1 0 409.482 4.415 50 0 HIAARO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(NCC[NH3+])n1 ZINC000002211592 569307531 /nfs/dbraw/zinc/30/75/31/569307531.db2.gz UTRGHJZZFLINNS-UHFFFAOYSA-N 1 0 407.568 4.488 50 0 HIAARO CCSc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818670 569363694 /nfs/dbraw/zinc/36/36/94/569363694.db2.gz DMMSQXQYGREHOE-JOCHJYFZSA-N 1 0 418.557 4.355 50 0 HIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(F)c1 ZINC000027594321 569375638 /nfs/dbraw/zinc/37/56/38/569375638.db2.gz TXRPLZUSDMBJAZ-IBGZPJMESA-N 1 0 415.896 4.486 50 0 HIAARO CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000002425540 569398512 /nfs/dbraw/zinc/39/85/12/569398512.db2.gz IQJWKVJOGYNSGR-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000079188936 569429095 /nfs/dbraw/zinc/42/90/95/569429095.db2.gz BHMOXQYQUVWOPC-JTHBVZDNSA-N 1 0 416.521 4.454 50 0 HIAARO COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 ZINC000019791240 569429860 /nfs/dbraw/zinc/42/98/60/569429860.db2.gz FHZOYSNBQPKFCS-HSZRJFAPSA-N 1 0 422.548 4.176 50 0 HIAARO O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596196 571087937 /nfs/dbraw/zinc/08/79/37/571087937.db2.gz UTYCFTQOSBCHRK-UHFFFAOYSA-N 1 0 416.500 4.497 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)[NH+](C)C)cc1 ZINC000008748372 571111622 /nfs/dbraw/zinc/11/16/22/571111622.db2.gz HVVQRMVNQIOSBC-FQEVSTJZSA-N 1 0 423.538 4.042 50 0 HIAARO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000040107152 571167512 /nfs/dbraw/zinc/16/75/12/571167512.db2.gz YSLWDSDPKQMQIK-AWEZNQCLSA-N 1 0 404.967 4.156 50 0 HIAARO CCOc1ccc(Oc2ccc(S(=O)(=O)NCCCC[NH+]3CCCC3)cc2)cc1 ZINC000040157104 571203903 /nfs/dbraw/zinc/20/39/03/571203903.db2.gz JGPOWSJECPWPDL-UHFFFAOYSA-N 1 0 418.559 4.032 50 0 HIAARO Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000008987408 571205919 /nfs/dbraw/zinc/20/59/19/571205919.db2.gz OJWMDKKJEDHPNA-UHFFFAOYSA-N 1 0 402.970 4.417 50 0 HIAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000245228641 571217970 /nfs/dbraw/zinc/21/79/70/571217970.db2.gz ANIOZVGTOILZGI-CDIGIKMISA-N 1 0 423.041 4.296 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(CCC[NH+](C)C)C3=O ZINC000010233140 571297508 /nfs/dbraw/zinc/29/75/08/571297508.db2.gz WYPUEVLMQFLQLD-OAQYLSRUSA-N 1 0 408.473 4.046 50 0 HIAARO COc1ccc(Br)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000010280848 571299325 /nfs/dbraw/zinc/29/93/25/571299325.db2.gz JVYNFEHQDJGMBP-UHFFFAOYSA-N 1 0 417.347 4.374 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1F ZINC000010334075 571300666 /nfs/dbraw/zinc/30/06/66/571300666.db2.gz ABUNUUUGCREXER-HSZRJFAPSA-N 1 0 419.500 4.179 50 0 HIAARO COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010335661 571300832 /nfs/dbraw/zinc/30/08/32/571300832.db2.gz BAVFCIALWPICII-JOCHJYFZSA-N 1 0 424.566 4.272 50 0 HIAARO O=C(NCCC[NH+]1CCN(c2cccc3ccccc32)CC1)Nc1ccc(F)cc1 ZINC000005050939 845078687 /nfs/dbraw/zinc/07/86/87/845078687.db2.gz XMHFZCKXMDPBHN-UHFFFAOYSA-N 1 0 406.505 4.313 50 0 HIAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4cccc(C)n4)CC3)cc2)n1 ZINC000011817283 845836320 /nfs/dbraw/zinc/83/63/20/845836320.db2.gz XGRSFJAYIQGPIO-UHFFFAOYSA-N 1 0 403.530 4.043 50 0 HIAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000011878746 845839250 /nfs/dbraw/zinc/83/92/50/845839250.db2.gz WXRLPFAPASVWSO-HNNXBMFYSA-N 1 0 400.935 4.438 50 0 HIAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cn(C)c5ccccc45)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012307913 845866999 /nfs/dbraw/zinc/86/69/99/845866999.db2.gz IKDIKWUWXCQIME-XPEQFSOGSA-N 1 0 401.510 4.129 50 0 HIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000012449471 845871288 /nfs/dbraw/zinc/87/12/88/845871288.db2.gz NKWHYJLVQMDWEO-YVWYTEFXSA-N 1 0 421.585 4.297 50 0 HIAARO CCOc1cccc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012458091 845872328 /nfs/dbraw/zinc/87/23/28/845872328.db2.gz CLBOHSWSTXJQMO-OPHFCASCSA-N 1 0 406.526 4.032 50 0 HIAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccccc1 ZINC000014979749 845996015 /nfs/dbraw/zinc/99/60/15/845996015.db2.gz SOPAXWYJIPJUCV-XMMPIXPASA-N 1 0 418.541 4.355 50 0 HIAARO Cc1nc(NCc2ccc3c(c2)CCO3)sc1-c1ccn(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000015001821 845998760 /nfs/dbraw/zinc/99/87/60/845998760.db2.gz SLYHPKTZZAYYKO-SFHVURJKSA-N 1 0 423.586 4.204 50 0 HIAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000019800387 846373257 /nfs/dbraw/zinc/37/32/57/846373257.db2.gz SDQNLWQEJTVCAF-UHFFFAOYSA-N 1 0 411.509 4.271 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CC1(c2ccccc2)CCOCC1 ZINC000019884953 846374398 /nfs/dbraw/zinc/37/43/98/846374398.db2.gz JROPFMRHHMIWTJ-QFIPXVFZSA-N 1 0 410.533 4.045 50 0 HIAARO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cc4ccccc4o3)C1)CC2 ZINC000023375224 846691294 /nfs/dbraw/zinc/69/12/94/846691294.db2.gz GPJFAWXGBQOZKL-NRFANRHFSA-N 1 0 406.526 4.473 50 0 HIAARO CC(C)c1nnc2n1CC[N@@H+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000023581190 846722653 /nfs/dbraw/zinc/72/26/53/846722653.db2.gz GEECRVXXOBGVHY-UHFFFAOYSA-N 1 0 412.541 4.313 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(OC(F)F)cc1)[NH+]1CCCC1 ZINC000023713956 846743656 /nfs/dbraw/zinc/74/36/56/846743656.db2.gz WPOMYRSCDUALNZ-XEDBTPMOSA-N 1 0 416.468 4.263 50 0 HIAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)s3)cn2)CC1 ZINC000024529136 846834168 /nfs/dbraw/zinc/83/41/68/846834168.db2.gz OZGZAILOSHXYIY-FMIVXFBMSA-N 1 0 404.539 4.214 50 0 HIAARO CC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000067723353 852366033 /nfs/dbraw/zinc/36/60/33/852366033.db2.gz LMROJSKUHMIBIP-RUZDIDTESA-N 1 0 405.542 4.082 50 0 HIAARO Cn1cc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)NC3CC3)C2)c2ccccc21 ZINC000169775435 853662355 /nfs/dbraw/zinc/66/23/55/853662355.db2.gz BDQRNCXSAXUGHS-LJQANCHMSA-N 1 0 417.553 4.362 50 0 HIAARO O=C(c1ccncc1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776702 853663819 /nfs/dbraw/zinc/66/38/19/853663819.db2.gz VBUKYXBFMNEGQP-QHCPKHFHSA-N 1 0 423.532 4.039 50 0 HIAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)C[C@H]1C ZINC000252672270 854204690 /nfs/dbraw/zinc/20/46/90/854204690.db2.gz PTPCKBINVHXRKO-LRRQVMFVSA-N 1 0 413.587 4.331 50 0 HIAARO CCn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3-c3nc(-c4ccccc4)no3)C2)cn1 ZINC000575314638 948642667 /nfs/dbraw/zinc/64/26/67/948642667.db2.gz PBKCOZHDFGCSIQ-FQEVSTJZSA-N 1 0 415.497 4.273 50 0 HIAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc(CCOCc4ccccc4)no3)C2)cc1F ZINC000575317028 948644934 /nfs/dbraw/zinc/64/49/34/948644934.db2.gz OMFAIBGZTKZADR-IBGZPJMESA-N 1 0 413.468 4.487 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575547942 948677445 /nfs/dbraw/zinc/67/74/45/948677445.db2.gz AQCZNZUJYDZMTN-OAQYLSRUSA-N 1 0 420.557 4.363 50 0 HIAARO Clc1ccccc1-c1nc(N2CC[NH2+]CC2)nc2ccc(Br)cc21 ZINC000001299986 132243818 /nfs/dbraw/zinc/24/38/18/132243818.db2.gz NSBOZKPYCFWSMN-UHFFFAOYSA-N 1 0 403.711 4.122 50 0 HIAARO COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)coc2c1 ZINC000003452118 132266469 /nfs/dbraw/zinc/26/64/69/132266469.db2.gz RTSRZMRQMPKYRA-UHFFFAOYSA-N 1 0 413.905 4.028 50 0 HIAARO Cn1cc(C[NH2+]C2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cn1 ZINC000012135443 132354824 /nfs/dbraw/zinc/35/48/24/132354824.db2.gz GGVQUOHMXJJXHN-UHFFFAOYSA-N 1 0 423.948 4.084 50 0 HIAARO C[C@@H]([NH2+]C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1)c1cccs1 ZINC000012205577 132356761 /nfs/dbraw/zinc/35/67/61/132356761.db2.gz HUOMVGXFMREDGM-GOSISDBHSA-N 1 0 420.582 4.393 50 0 HIAARO Cc1cc(C)n(CC[NH2+]C2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)n1 ZINC000012242782 132357717 /nfs/dbraw/zinc/35/77/17/132357717.db2.gz PVJZQGOAFDJPTA-UHFFFAOYSA-N 1 0 423.605 4.277 50 0 HIAARO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012527417 132361881 /nfs/dbraw/zinc/36/18/81/132361881.db2.gz QXHJNCRRVNNCMF-VWLOTQADSA-N 1 0 415.537 4.035 50 0 HIAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000020406570 520383501 /nfs/dbraw/zinc/38/35/01/520383501.db2.gz JPBWWFZMLWEPJQ-LJQANCHMSA-N 1 0 421.324 4.246 50 0 HIAARO CC1(C)C[C@H]([C@H](CC[NH2+]CCN2CCOCC2)Cc2ccccc2Cl)CCO1 ZINC000020590613 520559245 /nfs/dbraw/zinc/55/92/45/520559245.db2.gz PIILXQVIYUAKMK-TZIWHRDSSA-N 1 0 409.014 4.016 50 0 HIAARO CCOc1cc(CNCCC[NH2+]C)cc(Br)c1OCc1ccccc1C ZINC000040720447 520712229 /nfs/dbraw/zinc/71/22/29/520712229.db2.gz NHYXFDBAGFEFAQ-UHFFFAOYSA-N 1 0 421.379 4.434 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COCC(C)C ZINC000036246073 521678407 /nfs/dbraw/zinc/67/84/07/521678407.db2.gz BOBRIFFJDGOPAV-OAQYLSRUSA-N 1 0 417.594 4.433 50 0 HIAARO CC[NH+]1CCN(CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)CC1 ZINC000020591390 521684199 /nfs/dbraw/zinc/68/41/99/521684199.db2.gz MYHLVQIIKBYVQM-UHFFFAOYSA-N 1 0 412.917 4.130 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040733452 522228557 /nfs/dbraw/zinc/22/85/57/522228557.db2.gz HRTQYNMVHKAUCF-QGZVFWFLSA-N 1 0 408.336 4.206 50 0 HIAARO COc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1ccccc1C ZINC000040744271 522447688 /nfs/dbraw/zinc/44/76/88/522447688.db2.gz GBLDBOBKGXXZLN-UHFFFAOYSA-N 1 0 408.336 4.207 50 0 HIAARO COCCC[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040733376 523376043 /nfs/dbraw/zinc/37/60/43/523376043.db2.gz LSPJARYYECZCNX-UHFFFAOYSA-N 1 0 408.336 4.471 50 0 HIAARO CC[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032851042 523804032 /nfs/dbraw/zinc/80/40/32/523804032.db2.gz RGNTYRQXUYRHHK-GOSISDBHSA-N 1 0 406.452 4.030 50 0 HIAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 ZINC000022765621 523917648 /nfs/dbraw/zinc/91/76/48/523917648.db2.gz HNJQXSQQYWIVHG-QHCPKHFHSA-N 1 0 405.567 4.134 50 0 HIAARO COc1ccc(C[NH2+]C[C@H](c2ccccc2OC)N2CCCC2)cc1Br ZINC000025361544 524071993 /nfs/dbraw/zinc/07/19/93/524071993.db2.gz NIMKXOGZDYALOX-LJQANCHMSA-N 1 0 419.363 4.393 50 0 HIAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1OC ZINC000020587018 524705181 /nfs/dbraw/zinc/70/51/81/524705181.db2.gz MHSWJRHOZNSLLL-OAQYLSRUSA-N 1 0 406.530 4.181 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2cccc3cccnc32)CC1 ZINC000045410834 525138090 /nfs/dbraw/zinc/13/80/90/525138090.db2.gz LSLFWIXNACWNMX-UHFFFAOYSA-N 1 0 402.542 4.050 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2cc(C)ccc2Cl)[NH+]2CCCCC2)cc1 ZINC000032969119 525356594 /nfs/dbraw/zinc/35/65/94/525356594.db2.gz AGXYQLQCJWPRHW-NRFANRHFSA-N 1 0 416.949 4.379 50 0 HIAARO C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1=O ZINC000032894179 525614664 /nfs/dbraw/zinc/61/46/64/525614664.db2.gz VOUOYLZZRYSLEI-SFHVURJKSA-N 1 0 421.541 4.204 50 0 HIAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCC([NH+]2CCCCC2)CC1 ZINC000003063550 536970296 /nfs/dbraw/zinc/97/02/96/536970296.db2.gz INFHWNGXSNAQFP-UHFFFAOYSA-N 1 0 419.573 4.476 50 0 HIAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000012449036 537088514 /nfs/dbraw/zinc/08/85/14/537088514.db2.gz OBKWHCDMAKAUTN-HXUWFJFHSA-N 1 0 408.542 4.268 50 0 HIAARO O=C(NCc1ccc(F)cc1)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668726 557362226 /nfs/dbraw/zinc/36/22/26/557362226.db2.gz OLMSTNVEHYDWEC-UHFFFAOYSA-N 1 0 421.491 4.217 50 0 HIAARO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NC1CC1 ZINC000034671498 557362976 /nfs/dbraw/zinc/36/29/76/557362976.db2.gz FWCIXZXWMBAFOM-HHHXNRCGSA-N 1 0 412.533 4.492 50 0 HIAARO O=C(NCc1cccc(F)c1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000034684715 557388008 /nfs/dbraw/zinc/38/80/08/557388008.db2.gz KEZBYSUUIXBBSN-UHFFFAOYSA-N 1 0 403.501 4.078 50 0 HIAARO CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc21 ZINC000002979198 557434690 /nfs/dbraw/zinc/43/46/90/557434690.db2.gz ZWJOSWADMBBFKV-OAQYLSRUSA-N 1 0 406.526 4.367 50 0 HIAARO CC(C)C(=O)Nc1ccc2c(c1)C(N1CC[NH+](C(C)C)CC1)=Nc1ccccc1O2 ZINC000034790558 557469811 /nfs/dbraw/zinc/46/98/11/557469811.db2.gz QQPAIIYFLGEUSW-UHFFFAOYSA-N 1 0 406.530 4.491 50 0 HIAARO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)NC1CCCCC1 ZINC000004657467 557577059 /nfs/dbraw/zinc/57/70/59/557577059.db2.gz YAYMCIBQRRVIGC-UHFFFAOYSA-N 1 0 410.558 4.245 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000006762188 557719989 /nfs/dbraw/zinc/71/99/89/557719989.db2.gz SBJJZCTXAHQMMQ-DEOSSOPVSA-N 1 0 406.570 4.389 50 0 HIAARO c1coc([C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCC2)c1 ZINC000022786083 557820305 /nfs/dbraw/zinc/82/03/05/557820305.db2.gz UBAXKYREVXTKQK-HSZRJFAPSA-N 1 0 413.525 4.454 50 0 HIAARO c1ccc(COc2ccccc2C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000009249982 557832622 /nfs/dbraw/zinc/83/26/22/557832622.db2.gz QOCQRDWAPRIFHO-UHFFFAOYSA-N 1 0 417.538 4.123 50 0 HIAARO Cc1c(C[NH2+]CCOCCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315461 557859487 /nfs/dbraw/zinc/85/94/87/557859487.db2.gz ZBOJSPKHFAIPRD-UHFFFAOYSA-N 1 0 407.341 4.403 50 0 HIAARO Cc1ccccc1C[NH+]1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000022923539 558264008 /nfs/dbraw/zinc/26/40/08/558264008.db2.gz ZPYWSNWZAZJVMR-UHFFFAOYSA-N 1 0 407.539 4.165 50 0 HIAARO CN(C(=O)c1ccccc1-n1cccn1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011661414 558265359 /nfs/dbraw/zinc/26/53/59/558265359.db2.gz ONMKUISXPNHYGQ-JOCHJYFZSA-N 1 0 402.542 4.042 50 0 HIAARO O=C(c1cccc(OC2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1)N1CCCC1 ZINC000011662649 558266472 /nfs/dbraw/zinc/26/64/72/558266472.db2.gz DAECFARABJBPLF-HSZRJFAPSA-N 1 0 404.554 4.323 50 0 HIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1OC ZINC000011664045 558267524 /nfs/dbraw/zinc/26/75/24/558267524.db2.gz JKPCJILJQHFNBK-SFHVURJKSA-N 1 0 423.488 4.328 50 0 HIAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000011666819 558268911 /nfs/dbraw/zinc/26/89/11/558268911.db2.gz UZZJZDVPIMUDKK-UHFFFAOYSA-N 1 0 419.500 4.194 50 0 HIAARO CCOc1ccccc1CN(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818245 558281592 /nfs/dbraw/zinc/28/15/92/558281592.db2.gz QKLGVGQILWWWGL-JOCHJYFZSA-N 1 0 422.613 4.413 50 0 HIAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793498 558283546 /nfs/dbraw/zinc/28/35/46/558283546.db2.gz XTRZKAZZUVJWDM-UHFFFAOYSA-N 1 0 404.558 4.005 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccc(Cl)cc3)C2)c1 ZINC000011873217 558290951 /nfs/dbraw/zinc/29/09/51/558290951.db2.gz UAUXSBPBWJVMNK-NRFANRHFSA-N 1 0 400.950 4.452 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccc(F)cc2)C1 ZINC000011879935 558294506 /nfs/dbraw/zinc/29/45/06/558294506.db2.gz ZXXMAQOPOCLYAZ-NRFANRHFSA-N 1 0 412.549 4.180 50 0 HIAARO O=C(CCC(F)(F)F)NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000011969928 558304501 /nfs/dbraw/zinc/30/45/01/558304501.db2.gz FDCSGDYOAWGSFQ-LJQANCHMSA-N 1 0 412.496 4.092 50 0 HIAARO CCc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019909393 558306403 /nfs/dbraw/zinc/30/64/03/558306403.db2.gz HRAAQMQXNSBCAS-SANMLTNESA-N 1 0 416.565 4.478 50 0 HIAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](CCCC2CCCC2)CC1 ZINC000012020121 558309273 /nfs/dbraw/zinc/30/92/73/558309273.db2.gz RWZOCLNFLSJBIT-UHFFFAOYSA-N 1 0 400.563 4.401 50 0 HIAARO c1nc(-c2ccccc2)sc1C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012027731 558310382 /nfs/dbraw/zinc/31/03/82/558310382.db2.gz DECQJGNDNURWAF-UHFFFAOYSA-N 1 0 415.566 4.245 50 0 HIAARO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000012049142 558313609 /nfs/dbraw/zinc/31/36/09/558313609.db2.gz IXXKHDSUAUKKHZ-HSZRJFAPSA-N 1 0 413.924 4.482 50 0 HIAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012072401 558317811 /nfs/dbraw/zinc/31/78/11/558317811.db2.gz XQXBNTOIWMAGEI-HSZRJFAPSA-N 1 0 419.949 4.183 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)c(OC)c1 ZINC000012072963 558317942 /nfs/dbraw/zinc/31/79/42/558317942.db2.gz NNNBOCWGDSYFAX-FQEVSTJZSA-N 1 0 410.558 4.321 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3C)C2)c(OC)c1 ZINC000012072965 558318222 /nfs/dbraw/zinc/31/82/22/558318222.db2.gz NNNBOCWGDSYFAX-HXUWFJFHSA-N 1 0 410.558 4.321 50 0 HIAARO C[NH+](C)CCCN1C(=S)N=NC1COc1ccc2cc(Br)ccc2c1 ZINC000020028566 558322778 /nfs/dbraw/zinc/32/27/78/558322778.db2.gz ZSFFSLRUHXBDKM-UHFFFAOYSA-N 1 0 421.364 4.013 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000012112320 558326675 /nfs/dbraw/zinc/32/66/75/558326675.db2.gz WERFHPHBYMAGOI-UHFFFAOYSA-N 1 0 418.541 4.436 50 0 HIAARO Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CC[NH+](CCC(C)C)CC2)n(C)n1 ZINC000012129672 558332028 /nfs/dbraw/zinc/33/20/28/558332028.db2.gz SZHXDXSEDBMERH-HSZRJFAPSA-N 1 0 410.606 4.170 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000020109797 558335028 /nfs/dbraw/zinc/33/50/28/558335028.db2.gz MWLKPRGDGLDKEV-UHFFFAOYSA-N 1 0 404.514 4.059 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020211785 558347698 /nfs/dbraw/zinc/34/76/98/558347698.db2.gz PIOYIDIPPJVFGP-HXUWFJFHSA-N 1 0 408.571 4.496 50 0 HIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)cc2)c1 ZINC000012203652 558351904 /nfs/dbraw/zinc/35/19/04/558351904.db2.gz WXBVOUWKWNJERR-OAQYLSRUSA-N 1 0 418.541 4.255 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cc(F)cc(F)c1 ZINC000012204766 558352276 /nfs/dbraw/zinc/35/22/76/558352276.db2.gz PYYYTBOJZZJEGD-QGZVFWFLSA-N 1 0 422.859 4.018 50 0 HIAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1Cl ZINC000020293720 558354184 /nfs/dbraw/zinc/35/41/84/558354184.db2.gz PUNFMLSCVRFYFW-QFIPXVFZSA-N 1 0 410.945 4.364 50 0 HIAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012299432 558369495 /nfs/dbraw/zinc/36/94/95/558369495.db2.gz VDCXHSVIHHZENE-FQEVSTJZSA-N 1 0 408.546 4.284 50 0 HIAARO O=C(c1ccccc1OC1CC[NH+](Cc2cccc3c2OCO3)CC1)N1CCCCC1 ZINC000012386058 558394960 /nfs/dbraw/zinc/39/49/60/558394960.db2.gz XTEZEWQLBIXFTA-UHFFFAOYSA-N 1 0 422.525 4.085 50 0 HIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012437537 558409315 /nfs/dbraw/zinc/40/93/15/558409315.db2.gz SZUBPVXREJAAFS-IBGZPJMESA-N 1 0 400.563 4.500 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccc(CSC)o2)cc1 ZINC000012440274 558411543 /nfs/dbraw/zinc/41/15/43/558411543.db2.gz MUGHJLNDIADLCU-UHFFFAOYSA-N 1 0 416.587 4.178 50 0 HIAARO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1CCCc1ccccc1 ZINC000020781172 558412758 /nfs/dbraw/zinc/41/27/58/558412758.db2.gz PDGPPRFMZDCKQP-QHCPKHFHSA-N 1 0 421.610 4.312 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1cc(-c2ccccc2)on1 ZINC000012450838 558416067 /nfs/dbraw/zinc/41/60/67/558416067.db2.gz VUGOBBQDTZVXJT-NRFANRHFSA-N 1 0 423.488 4.030 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000012466747 558420641 /nfs/dbraw/zinc/42/06/41/558420641.db2.gz PDLAUVBOGYMLCY-UHFFFAOYSA-N 1 0 400.563 4.497 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1OCC ZINC000020932484 558424344 /nfs/dbraw/zinc/42/43/44/558424344.db2.gz RPISRWPEQLDSNT-SFHVURJKSA-N 1 0 408.336 4.460 50 0 HIAARO CC(C)n1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012586528 558434201 /nfs/dbraw/zinc/43/42/01/558434201.db2.gz IDQSBAHMYUZLJS-IBGZPJMESA-N 1 0 402.970 4.144 50 0 HIAARO Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCC(C)(C)C[NH+](C)C)C2=O)cc1C ZINC000021360178 558437493 /nfs/dbraw/zinc/43/74/93/558437493.db2.gz UFKGWBSFDJFBNC-HYARGMPZSA-N 1 0 405.542 4.009 50 0 HIAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000012596149 558437676 /nfs/dbraw/zinc/43/76/76/558437676.db2.gz CASJSJBKUUPHPJ-KRWDZBQOSA-N 1 0 410.543 4.320 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000012596705 558437965 /nfs/dbraw/zinc/43/79/65/558437965.db2.gz NDXSFRJWHHXSJV-INIZCTEOSA-N 1 0 412.534 4.054 50 0 HIAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2Cl)CC1 ZINC000012612730 558438967 /nfs/dbraw/zinc/43/89/67/558438967.db2.gz XUBDKVBURLKLQC-KRWDZBQOSA-N 1 0 422.997 4.074 50 0 HIAARO CC(=O)N1CCC[N@H+](Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)CC1 ZINC000012705484 558449842 /nfs/dbraw/zinc/44/98/42/558449842.db2.gz JHUMIFRSFZNTJR-UHFFFAOYSA-N 1 0 424.495 4.180 50 0 HIAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012710488 558452247 /nfs/dbraw/zinc/45/22/47/558452247.db2.gz FAQOKGTXTODEAO-VWLOTQADSA-N 1 0 408.542 4.341 50 0 HIAARO C[NH+](C)CCCN(C(=O)CCc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359817 558457033 /nfs/dbraw/zinc/45/70/33/558457033.db2.gz NGSLWRZCEUUGJV-UHFFFAOYSA-N 1 0 403.498 4.492 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478134 /nfs/dbraw/zinc/47/81/34/558478134.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 1 0 400.588 4.346 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000013056872 558508686 /nfs/dbraw/zinc/50/86/86/558508686.db2.gz DPIYJOFYSSBZKE-HXUWFJFHSA-N 1 0 415.537 4.480 50 0 HIAARO COc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)N(C)C)cc1OC ZINC000022799914 558512660 /nfs/dbraw/zinc/51/26/60/558512660.db2.gz VBGQPVXMBUJCRA-LJQANCHMSA-N 1 0 414.937 4.140 50 0 HIAARO Cc1c[nH]c(CNC(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)n1 ZINC000023310702 558548645 /nfs/dbraw/zinc/54/86/45/558548645.db2.gz IOARUSYZIIGJDI-UHFFFAOYSA-N 1 0 416.953 4.087 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717732 558580196 /nfs/dbraw/zinc/58/01/96/558580196.db2.gz YKQVKCPMDKTEPB-UHFFFAOYSA-N 1 0 415.497 4.452 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014241351 558644112 /nfs/dbraw/zinc/64/41/12/558644112.db2.gz HSLPOPCJFSJXQC-FQEVSTJZSA-N 1 0 415.537 4.376 50 0 HIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014796334 558673096 /nfs/dbraw/zinc/67/30/96/558673096.db2.gz IOTKQDLLSYGNHJ-UHFFFAOYSA-N 1 0 422.960 4.288 50 0 HIAARO COc1cc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc(OC)c1 ZINC000027574496 558675173 /nfs/dbraw/zinc/67/51/73/558675173.db2.gz ZZGBAMKBJQFFLL-OAQYLSRUSA-N 1 0 416.587 4.287 50 0 HIAARO COCCNC(=O)c1cccc(OC2CC[NH+](C[C@H](C)CCC=C(C)C)CC2)c1 ZINC000014948144 558680306 /nfs/dbraw/zinc/68/03/06/558680306.db2.gz JYEGTZCZRMMAAK-HXUWFJFHSA-N 1 0 402.579 4.289 50 0 HIAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000014949618 558680732 /nfs/dbraw/zinc/68/07/32/558680732.db2.gz FEBOEAKWPRTPOK-IBGZPJMESA-N 1 0 417.465 4.093 50 0 HIAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc2c1OCO2 ZINC000014952871 558681552 /nfs/dbraw/zinc/68/15/52/558681552.db2.gz AWWKMFJXOOSZCZ-LBPRGKRZSA-N 1 0 401.413 4.047 50 0 HIAARO O=C(C1CCCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014968283 558686594 /nfs/dbraw/zinc/68/65/94/558686594.db2.gz RDEVDEVLDBDFEA-QFIPXVFZSA-N 1 0 402.554 4.236 50 0 HIAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)c1OC ZINC000014977632 558689712 /nfs/dbraw/zinc/68/97/12/558689712.db2.gz FKLZDSCGQSNOKH-DQYQWZCESA-N 1 0 408.542 4.249 50 0 HIAARO C[C@@H](C[NH+]1CCC(c2nnc(SCc3ccncc3)n2C)CC1)c1ccccc1 ZINC000014991067 558694290 /nfs/dbraw/zinc/69/42/90/558694290.db2.gz HCQWOBVOLSWSRJ-SFHVURJKSA-N 1 0 407.587 4.486 50 0 HIAARO Cc1nnsc1C(=O)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014993604 558695286 /nfs/dbraw/zinc/69/52/86/558695286.db2.gz MSUYNKRDNLFTNS-AEFFLSMTSA-N 1 0 412.584 4.188 50 0 HIAARO COC(=O)c1sc2nc(C[N@H+](C)CC(C)C)ccc2c1NC(=O)c1ccco1 ZINC000014998042 558696574 /nfs/dbraw/zinc/69/65/74/558696574.db2.gz BIGHPWNDTCIOFX-UHFFFAOYSA-N 1 0 401.488 4.016 50 0 HIAARO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028292604 558698108 /nfs/dbraw/zinc/69/81/08/558698108.db2.gz HQTZPCYRJQGMOE-NRFANRHFSA-N 1 0 404.510 4.367 50 0 HIAARO CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000028402853 558700060 /nfs/dbraw/zinc/70/00/60/558700060.db2.gz HFMWNRVKKNVEIM-OAQYLSRUSA-N 1 0 404.510 4.312 50 0 HIAARO Cc1n[nH]c(C)c1CC[NH2+]Cc1cc2ccc(F)cc2n(CCc2ccccc2)c1=O ZINC000015066719 558709704 /nfs/dbraw/zinc/70/97/04/558709704.db2.gz WTMSYFOEGDHIPT-UHFFFAOYSA-N 1 0 418.516 4.056 50 0 HIAARO O=C(c1ccc(-c2ccccc2)nc1N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015071037 558712794 /nfs/dbraw/zinc/71/27/94/558712794.db2.gz YSIINQVFSURFMF-UHFFFAOYSA-N 1 0 418.585 4.439 50 0 HIAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ccc(CO)o4)CC3)c2)c1 ZINC000015074211 558715029 /nfs/dbraw/zinc/71/50/29/558715029.db2.gz FQZNIDRNNOGNHU-UHFFFAOYSA-N 1 0 420.509 4.298 50 0 HIAARO COC1CCN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CC1 ZINC000015076393 558716533 /nfs/dbraw/zinc/71/65/33/558716533.db2.gz JSWVQZPQXGMVAB-UHFFFAOYSA-N 1 0 422.997 4.480 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000015078272 558717719 /nfs/dbraw/zinc/71/77/19/558717719.db2.gz BSQYTMYLKVSARX-UHFFFAOYSA-N 1 0 412.505 4.114 50 0 HIAARO Cc1cccc(OCC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000072304627 558757268 /nfs/dbraw/zinc/75/72/68/558757268.db2.gz YFNNSMIYHZKLCP-HXUWFJFHSA-N 1 0 420.475 4.287 50 0 HIAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1Cl ZINC000011094054 558759798 /nfs/dbraw/zinc/75/97/98/558759798.db2.gz PFMVTGZMBUMYRX-LHSJRXKWSA-N 1 0 418.921 4.434 50 0 HIAARO COC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453896 558792164 /nfs/dbraw/zinc/79/21/64/558792164.db2.gz KPNJWNKSQUDILC-NRFANRHFSA-N 1 0 411.502 4.271 50 0 HIAARO COc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000038836242 558817969 /nfs/dbraw/zinc/81/79/69/558817969.db2.gz RKWKVGOCTKRIRK-UHFFFAOYSA-N 1 0 407.558 4.034 50 0 HIAARO O=c1cc(-c2ccccc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000018219583 558834038 /nfs/dbraw/zinc/83/40/38/558834038.db2.gz WWZHOKGCFJKHMB-UHFFFAOYSA-N 1 0 422.532 4.349 50 0 HIAARO CC1(C)C[C@H](NC(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)CCO1 ZINC000019110845 558841790 /nfs/dbraw/zinc/84/17/90/558841790.db2.gz PMJHRLODIYYHBZ-LJQANCHMSA-N 1 0 400.563 4.160 50 0 HIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(C(C)=O)c4)C3)C2)c1OC ZINC000055099908 558872317 /nfs/dbraw/zinc/87/23/17/558872317.db2.gz CLJRQVBTJWFKTC-AREMUKBSSA-N 1 0 422.569 4.395 50 0 HIAARO CCOc1ccc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100069 558872392 /nfs/dbraw/zinc/87/23/92/558872392.db2.gz DLGBYQUVPKNUON-QHCPKHFHSA-N 1 0 422.613 4.413 50 0 HIAARO CC[NH+](CC)CCn1c(NC(=O)c2ccc(Br)s2)nc2ccccc21 ZINC000010653082 558875638 /nfs/dbraw/zinc/87/56/38/558875638.db2.gz OKAOYJOJGFAOGJ-UHFFFAOYSA-N 1 0 421.364 4.454 50 0 HIAARO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nncs1 ZINC000058008214 558894611 /nfs/dbraw/zinc/89/46/11/558894611.db2.gz JCIPQTKOXLNPQW-UHFFFAOYSA-N 1 0 402.351 4.221 50 0 HIAARO CCn1ccnc1CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000058245890 558914674 /nfs/dbraw/zinc/91/46/74/558914674.db2.gz ISOOIXAHUUEFIX-UHFFFAOYSA-N 1 0 413.591 4.024 50 0 HIAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000058292139 558916887 /nfs/dbraw/zinc/91/68/87/558916887.db2.gz HMAUDJBMDXAXTR-JTHBVZDNSA-N 1 0 413.537 4.067 50 0 HIAARO COc1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000058434992 558927179 /nfs/dbraw/zinc/92/71/79/558927179.db2.gz PLDMDBHJGXCTHW-YCRPNKLZSA-N 1 0 424.438 4.466 50 0 HIAARO Cc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 ZINC000019606882 558946640 /nfs/dbraw/zinc/94/66/40/558946640.db2.gz BMQMRVBRFHXKMC-QFIPXVFZSA-N 1 0 418.507 4.195 50 0 HIAARO C[N@H+](CCCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1ccccc1 ZINC000033059846 558954043 /nfs/dbraw/zinc/95/40/43/558954043.db2.gz ATGFDLKLJXQTGG-UHFFFAOYSA-N 1 0 404.539 4.339 50 0 HIAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065362860 558973722 /nfs/dbraw/zinc/97/37/22/558973722.db2.gz AHCUNLNIJPNVHF-UHFFFAOYSA-N 1 0 413.953 4.145 50 0 HIAARO CCn1ncc(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1C ZINC000072408762 558977437 /nfs/dbraw/zinc/97/74/37/558977437.db2.gz LWNOAYCOTSGDIR-UHFFFAOYSA-N 1 0 407.484 4.260 50 0 HIAARO CC(C)Nc1ncc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 ZINC000065463325 558977935 /nfs/dbraw/zinc/97/79/35/558977935.db2.gz FMMCAVCXCCTFFK-HXUWFJFHSA-N 1 0 417.513 4.077 50 0 HIAARO Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576167 558979582 /nfs/dbraw/zinc/97/95/82/558979582.db2.gz PNZHAWYWOLWYAC-LEWJYISDSA-N 1 0 405.542 4.111 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000072463792 558983361 /nfs/dbraw/zinc/98/33/61/558983361.db2.gz CYQIDQYKDHZTMC-GOSISDBHSA-N 1 0 406.526 4.432 50 0 HIAARO COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2C[N@@H+]2CCCOCC2)c1 ZINC000072480173 558983984 /nfs/dbraw/zinc/98/39/84/558983984.db2.gz ZQCBDDWKERLLLT-UHFFFAOYSA-N 1 0 408.498 4.150 50 0 HIAARO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000067613338 558989147 /nfs/dbraw/zinc/98/91/47/558989147.db2.gz AEZLNPKOXPXMOT-UHFFFAOYSA-N 1 0 418.541 4.224 50 0 HIAARO NC(=O)CCn1cc(C[NH2+]Cc2cc(-c3ccccc3Cl)no2)c2ccccc21 ZINC000067789931 558992945 /nfs/dbraw/zinc/99/29/45/558992945.db2.gz RYHXRJMQMRYTMO-UHFFFAOYSA-N 1 0 408.889 4.115 50 0 HIAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023211977 559059446 /nfs/dbraw/zinc/05/94/46/559059446.db2.gz SGYSURBJMPKZNW-WIYYLYMNSA-N 1 0 402.966 4.415 50 0 HIAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023211979 559059487 /nfs/dbraw/zinc/05/94/87/559059487.db2.gz SGYSURBJMPKZNW-GHTZIAJQSA-N 1 0 402.966 4.415 50 0 HIAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000023224613 559062510 /nfs/dbraw/zinc/06/25/10/559062510.db2.gz PHCCZFFVZJQBIK-QUENFVSXSA-N 1 0 409.014 4.444 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](CCc3ccccn3)C2)cc1Cl ZINC000095527802 559086203 /nfs/dbraw/zinc/08/62/03/559086203.db2.gz SYPFMRMEMWROQT-QGZVFWFLSA-N 1 0 401.938 4.417 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000011614684 559114567 /nfs/dbraw/zinc/11/45/67/559114567.db2.gz SSJPLKLEIAIENB-LJQANCHMSA-N 1 0 414.864 4.082 50 0 HIAARO CC(C)CN(C)C(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023320726 559125883 /nfs/dbraw/zinc/12/58/83/559125883.db2.gz WRRIZZAUBTYJPH-UHFFFAOYSA-N 1 0 416.569 4.285 50 0 HIAARO O=C(C[NH+](C1CCCC1)C1CCCC1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000095469703 559161508 /nfs/dbraw/zinc/16/15/08/559161508.db2.gz AZZWHPHOYQCCQB-UHFFFAOYSA-N 1 0 415.603 4.001 50 0 HIAARO CCOc1cc(C[NH2+]CCCOc2ccccn2)cc(Br)c1OCC ZINC000113397453 559180267 /nfs/dbraw/zinc/18/02/67/559180267.db2.gz FPORFSLPIHQKTI-UHFFFAOYSA-N 1 0 409.324 4.200 50 0 HIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004900274 559199272 /nfs/dbraw/zinc/19/92/72/559199272.db2.gz LMBOWJVWXGSASV-NRFANRHFSA-N 1 0 419.525 4.202 50 0 HIAARO CCn1c2ccccc2c2sc(C(=O)NCCC[NH+]3CCCCCC3)cc2c1=O ZINC000004939086 559211577 /nfs/dbraw/zinc/21/15/77/559211577.db2.gz SDHYCXKTRBCULZ-UHFFFAOYSA-N 1 0 411.571 4.232 50 0 HIAARO CC(C)(CNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)[NH+]1CCCCC1 ZINC000004959116 559216925 /nfs/dbraw/zinc/21/69/25/559216925.db2.gz SZOODJDITAJYTE-UHFFFAOYSA-N 1 0 404.510 4.454 50 0 HIAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005022597 559230601 /nfs/dbraw/zinc/23/06/01/559230601.db2.gz VPLGPTNWXVJMBQ-UHFFFAOYSA-N 1 0 402.539 4.293 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C ZINC000005057549 559237941 /nfs/dbraw/zinc/23/79/41/559237941.db2.gz IYMNYAHVBPYLNV-QGZVFWFLSA-N 1 0 419.616 4.206 50 0 HIAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(OC)c(OC)c3)sc2c1 ZINC000005115373 559247329 /nfs/dbraw/zinc/24/73/29/559247329.db2.gz BJSQVZVEWAJTOJ-UHFFFAOYSA-N 1 0 413.543 4.084 50 0 HIAARO CC(C)[N@H+](CCCNC(=O)Cn1cccc1C(=O)c1ccccc1)Cc1ccccc1 ZINC000005142580 559251900 /nfs/dbraw/zinc/25/19/00/559251900.db2.gz GLNFSLOSMISYOZ-UHFFFAOYSA-N 1 0 417.553 4.136 50 0 HIAARO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)CC2)c1 ZINC000061911960 560562562 /nfs/dbraw/zinc/56/25/62/560562562.db2.gz HWHLLITUISOPCT-HLMLHLEXSA-N 1 0 424.585 4.276 50 0 HIAARO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000017741203 560724596 /nfs/dbraw/zinc/72/45/96/560724596.db2.gz ZACIBBGLOBGOIC-IBGZPJMESA-N 1 0 410.539 4.118 50 0 HIAARO CC[NH+]1CCN(CCCN(Cc2cccs2)C(=S)Nc2ccccc2C)CC1 ZINC000101213920 560790034 /nfs/dbraw/zinc/79/00/34/560790034.db2.gz SKXPVIHZDKVFFT-UHFFFAOYSA-N 1 0 416.660 4.283 50 0 HIAARO Cc1cc2nc(N3CCC[N@H+](Cc4ccc5c(c4)OCCO5)CC3)nc(C)c2cc1C ZINC000012037787 560887172 /nfs/dbraw/zinc/88/71/72/560887172.db2.gz RENXPNPNISLTBY-UHFFFAOYSA-N 1 0 418.541 4.039 50 0 HIAARO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc2ccccc2oc1=O ZINC000012111446 560889277 /nfs/dbraw/zinc/88/92/77/560889277.db2.gz QCDHBNFKMRNJAW-HXUWFJFHSA-N 1 0 410.901 4.403 50 0 HIAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000108096265 560897919 /nfs/dbraw/zinc/89/79/19/560897919.db2.gz XVCGPRDEXSZEKB-OXJNMPFZSA-N 1 0 406.448 4.111 50 0 HIAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000010435711 568416350 /nfs/dbraw/zinc/41/63/50/568416350.db2.gz HRMFBRNWABHLLV-UHFFFAOYSA-N 1 0 404.721 4.324 50 0 HIAARO CCCc1nn2c(nc(C[N@@H+](Cc3ccc(Cl)cc3)CC(C)C)cc2=O)s1 ZINC000046032264 568424693 /nfs/dbraw/zinc/42/46/93/568424693.db2.gz XOQVIVBLMAGOGV-UHFFFAOYSA-N 1 0 404.967 4.415 50 0 HIAARO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000048237338 568433094 /nfs/dbraw/zinc/43/30/94/568433094.db2.gz FAIYCZNUXDXWTM-INIZCTEOSA-N 1 0 416.591 4.221 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000048324590 568438455 /nfs/dbraw/zinc/43/84/55/568438455.db2.gz BMJLKTSMWNUUPA-UHFFFAOYSA-N 1 0 421.589 4.196 50 0 HIAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000626973 568455982 /nfs/dbraw/zinc/45/59/82/568455982.db2.gz BEFRDBPWQPNWGZ-LJQANCHMSA-N 1 0 410.341 4.025 50 0 HIAARO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000022074808 568473935 /nfs/dbraw/zinc/47/39/35/568473935.db2.gz ZHZITHYDQFFLFH-HNNXBMFYSA-N 1 0 415.125 4.043 50 0 HIAARO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057256221 568490131 /nfs/dbraw/zinc/49/01/31/568490131.db2.gz OLTUZUCYQCCKEX-UHFFFAOYSA-N 1 0 415.537 4.335 50 0 HIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000095393366 568604194 /nfs/dbraw/zinc/60/41/94/568604194.db2.gz VRSLJJMQJJJELN-WOJBJXKFSA-N 1 0 405.380 4.323 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(F)cc1 ZINC000020436112 568607175 /nfs/dbraw/zinc/60/71/75/568607175.db2.gz QSTPBMRKWGELKY-UHFFFAOYSA-N 1 0 413.493 4.049 50 0 HIAARO COc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440521 568607603 /nfs/dbraw/zinc/60/76/03/568607603.db2.gz XXRNUFCYZXIVJM-RRPNLBNLSA-N 1 0 417.549 4.242 50 0 HIAARO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000095467069 568624681 /nfs/dbraw/zinc/62/46/81/568624681.db2.gz BIDAMNRREQSATP-AWEZNQCLSA-N 1 0 418.925 4.379 50 0 HIAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CC[NH+](C)CC3)cc(=O)oc2c1C ZINC000095472957 568628428 /nfs/dbraw/zinc/62/84/28/568628428.db2.gz QAUJYVXNUBRUIV-UHFFFAOYSA-N 1 0 417.509 4.274 50 0 HIAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4cccs4)ccc3n2C(C)C)CC1 ZINC000020608878 568636869 /nfs/dbraw/zinc/63/68/69/568636869.db2.gz LIXCTTRLCIBOAJ-UHFFFAOYSA-N 1 0 411.575 4.069 50 0 HIAARO COc1cc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)ccc1OCc1c(C)noc1C ZINC000095940886 568661833 /nfs/dbraw/zinc/66/18/33/568661833.db2.gz QRKDUDBBDFMNKT-UHFFFAOYSA-N 1 0 410.518 4.290 50 0 HIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cccc4c3SCCC4=O)CC2)c1 ZINC000021103050 568666553 /nfs/dbraw/zinc/66/65/53/568666553.db2.gz LXBVXNUTZRPXGM-UHFFFAOYSA-N 1 0 408.567 4.316 50 0 HIAARO CCN(c1ccc(C(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)cc1)C(C)C ZINC000095957807 568669546 /nfs/dbraw/zinc/66/95/46/568669546.db2.gz ACZZTPFXAOJOKU-UHFFFAOYSA-N 1 0 409.574 4.324 50 0 HIAARO Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)cc1Cl ZINC000021171869 568676520 /nfs/dbraw/zinc/67/65/20/568676520.db2.gz QHUKTFSYIZOSOY-QGZVFWFLSA-N 1 0 410.949 4.470 50 0 HIAARO CC(C)([C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096012771 568685137 /nfs/dbraw/zinc/68/51/37/568685137.db2.gz NAEHHSVVIPWUPM-NRFANRHFSA-N 1 0 423.454 4.387 50 0 HIAARO CSc1cccc(N2CC[NH+](CCCOc3ccc4ccc(=O)oc4c3)CC2)c1 ZINC000096028216 568687004 /nfs/dbraw/zinc/68/70/04/568687004.db2.gz STMPDALDGVAOMD-UHFFFAOYSA-N 1 0 410.539 4.106 50 0 HIAARO COc1ccc(-c2noc(NCC[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000021630644 568724925 /nfs/dbraw/zinc/72/49/25/568724925.db2.gz QJLFPYZYNVNVIQ-UHFFFAOYSA-N 1 0 422.529 4.120 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000096319765 568728352 /nfs/dbraw/zinc/72/83/52/568728352.db2.gz AICIZXQUXKBAEW-UHFFFAOYSA-N 1 0 416.500 4.497 50 0 HIAARO COc1ccc(CC[NH2+]Cc2nn(Cc3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000247935606 568746097 /nfs/dbraw/zinc/74/60/97/568746097.db2.gz UOBQTHVDCYLZJX-UHFFFAOYSA-N 1 0 416.500 4.473 50 0 HIAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21 ZINC000248164449 568748009 /nfs/dbraw/zinc/74/80/09/568748009.db2.gz NLKZLGHGTFAOQX-OAQYLSRUSA-N 1 0 404.558 4.188 50 0 HIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249682299 568748593 /nfs/dbraw/zinc/74/85/93/568748593.db2.gz CCKUIQRVVWNNKM-IBGZPJMESA-N 1 0 424.976 4.281 50 0 HIAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249689681 568748643 /nfs/dbraw/zinc/74/86/43/568748643.db2.gz JOSPMZKSBSKDJR-GOSISDBHSA-N 1 0 410.949 4.238 50 0 HIAARO CCOC(=O)Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000021718208 568750499 /nfs/dbraw/zinc/75/04/99/568750499.db2.gz XYWNAYPDYVBNCJ-RTBURBONSA-N 1 0 415.578 4.014 50 0 HIAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](C)CC2)o1 ZINC000000934794 568751625 /nfs/dbraw/zinc/75/16/25/568751625.db2.gz WTYFULIJGJITQY-QGZVFWFLSA-N 1 0 416.319 4.316 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000000934790 568751685 /nfs/dbraw/zinc/75/16/85/568751685.db2.gz YQZPUSXTOASAFJ-INIZCTEOSA-N 1 0 402.292 4.008 50 0 HIAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c2c1 ZINC000021934405 568762004 /nfs/dbraw/zinc/76/20/04/568762004.db2.gz LNDKKSRXRMOITD-UHFFFAOYSA-N 1 0 410.521 4.467 50 0 HIAARO COc1ccc(CN2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)cc1OC ZINC000096581389 568762485 /nfs/dbraw/zinc/76/24/85/568762485.db2.gz HHJOJYFNUWWBSQ-UHFFFAOYSA-N 1 0 406.526 4.183 50 0 HIAARO CC[NH+](CC)CCNCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000261492215 568820353 /nfs/dbraw/zinc/82/03/53/568820353.db2.gz VWRSOFJGQBLFQH-UHFFFAOYSA-N 1 0 415.944 4.217 50 0 HIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(OCc2ccncc2)cc1 ZINC000029754998 568828928 /nfs/dbraw/zinc/82/89/28/568828928.db2.gz IHJRUDHZHCWJSL-OAQYLSRUSA-N 1 0 407.539 4.289 50 0 HIAARO Cc1ccc([C@H]([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c2ccccc2)cc1 ZINC000057403294 568832577 /nfs/dbraw/zinc/83/25/77/568832577.db2.gz WSNJCYLIYBXHCN-NIYFSFCBSA-N 1 0 413.521 4.438 50 0 HIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Nc2ncccn2)c1 ZINC000012538284 568846503 /nfs/dbraw/zinc/84/65/03/568846503.db2.gz JKAHGWMREVVBOM-UHFFFAOYSA-N 1 0 401.514 4.136 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049143 568849831 /nfs/dbraw/zinc/84/98/31/568849831.db2.gz RNGNAUSXKRUDAO-LJQANCHMSA-N 1 0 411.571 4.319 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@@H](C)c2nc3cc(C)ccc3[nH]2)c1 ZINC000299755870 568872607 /nfs/dbraw/zinc/87/26/07/568872607.db2.gz DTZVPNPOJCTEJM-PKOBYXMFSA-N 1 0 406.530 4.112 50 0 HIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@H](C)c2nc3cc(C)ccc3[nH]2)c1 ZINC000299755867 568872658 /nfs/dbraw/zinc/87/26/58/568872658.db2.gz DTZVPNPOJCTEJM-MJGOQNOKSA-N 1 0 406.530 4.112 50 0 HIAARO CC[NH+](CC)CCOc1cc(NC(=O)CSc2ccccc2F)ccc1OC ZINC000058142504 568891998 /nfs/dbraw/zinc/89/19/98/568891998.db2.gz WJFGSKRBVNGGMB-UHFFFAOYSA-N 1 0 406.523 4.286 50 0 HIAARO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000058160047 568894142 /nfs/dbraw/zinc/89/41/42/568894142.db2.gz JCCTXNGHHQZKPL-OALUTQOASA-N 1 0 416.521 4.403 50 0 HIAARO CC1CC[NH+]([C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000012737889 568925332 /nfs/dbraw/zinc/92/53/32/568925332.db2.gz NZNDYWZDKGDCGQ-JOCHJYFZSA-N 1 0 422.598 4.456 50 0 HIAARO O=C(NCc1coc(-c2cccs2)n1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000012751696 568940925 /nfs/dbraw/zinc/94/09/25/568940925.db2.gz PYZVGKLDWRGGLV-UHFFFAOYSA-N 1 0 410.543 4.388 50 0 HIAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012759960 568944056 /nfs/dbraw/zinc/94/40/56/568944056.db2.gz SPCMYIQJQNQRHL-MRXNPFEDSA-N 1 0 413.880 4.447 50 0 HIAARO O=C(COc1ccc(Cl)c(Cl)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000084528900 568950321 /nfs/dbraw/zinc/95/03/21/568950321.db2.gz KZWDQJALFSXOKB-UHFFFAOYSA-N 1 0 407.341 4.196 50 0 HIAARO CCOC(=O)c1ccc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)cc1 ZINC000004193135 568950550 /nfs/dbraw/zinc/95/05/50/568950550.db2.gz GFMPGTCADSXCAL-UHFFFAOYSA-N 1 0 415.559 4.141 50 0 HIAARO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000084556852 568950880 /nfs/dbraw/zinc/95/08/80/568950880.db2.gz XEXLTDRJNXSICR-UHFFFAOYSA-N 1 0 407.436 4.370 50 0 HIAARO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)CNC(=O)CC(C)(C)C ZINC000084740401 568957929 /nfs/dbraw/zinc/95/79/29/568957929.db2.gz BEJSHKRVKRKVNR-VCSGRIEYSA-N 1 0 407.643 4.209 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3nccc3C)cc2)[NH+]2CCCCC2)cc1 ZINC000008156546 568978065 /nfs/dbraw/zinc/97/80/65/568978065.db2.gz NRAQSDSQGRFDBW-DEOSSOPVSA-N 1 0 418.541 4.146 50 0 HIAARO CCOC(=O)c1c(C)oc2nc(C)nc(NC3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000015727417 568978314 /nfs/dbraw/zinc/97/83/14/568978314.db2.gz JTFNUWGHVQARBS-UHFFFAOYSA-N 1 0 408.502 4.093 50 0 HIAARO CCOc1c(Cl)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000012821267 569004743 /nfs/dbraw/zinc/00/47/43/569004743.db2.gz NMHULFDRUFCIFL-UHFFFAOYSA-N 1 0 402.922 4.142 50 0 HIAARO C[C@@H](c1nccs1)[N@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000019939272 569008002 /nfs/dbraw/zinc/00/80/02/569008002.db2.gz OMPLDYHNBNZCLJ-ZFWWWQNUSA-N 1 0 421.950 4.099 50 0 HIAARO Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000015840213 569013760 /nfs/dbraw/zinc/01/37/60/569013760.db2.gz ZWGUKSOLBMKIIG-UHFFFAOYSA-N 1 0 412.584 4.113 50 0 HIAARO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000240471694 569054634 /nfs/dbraw/zinc/05/46/34/569054634.db2.gz GDWYPEYBDHHGGV-MXKNLSCSSA-N 1 0 401.576 4.068 50 0 HIAARO CC(C)[N@H+](Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1)C[C@H]1CCCCO1 ZINC000241837543 569054858 /nfs/dbraw/zinc/05/48/58/569054858.db2.gz SKYWECYRVLCIIV-DENIHFKCSA-N 1 0 419.610 4.385 50 0 HIAARO CC(=O)N(c1nc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000242263305 569055053 /nfs/dbraw/zinc/05/50/53/569055053.db2.gz XXWDKQGCKHEQTP-PKTZIBPZSA-N 1 0 424.614 4.287 50 0 HIAARO CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871493 569064091 /nfs/dbraw/zinc/06/40/91/569064091.db2.gz MXXYEPYUERUDMJ-PAXLWEDBSA-N 1 0 423.523 4.226 50 0 HIAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095823 569090040 /nfs/dbraw/zinc/09/00/40/569090040.db2.gz INDFLJYLRAFLOD-APWZRJJASA-N 1 0 407.938 4.398 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)cc1OC ZINC000036096007 569090052 /nfs/dbraw/zinc/09/00/52/569090052.db2.gz RLNAVOMFYCYAKV-HSZRJFAPSA-N 1 0 409.501 4.449 50 0 HIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036097277 569090242 /nfs/dbraw/zinc/09/02/42/569090242.db2.gz AWDYQYSRDZHKHL-JOCHJYFZSA-N 1 0 401.547 4.130 50 0 HIAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102563 569092154 /nfs/dbraw/zinc/09/21/54/569092154.db2.gz PLRGXONPWBMMOV-QHCPKHFHSA-N 1 0 423.484 4.134 50 0 HIAARO CC(C)CC(=O)N(CC[NH+]1CCCC1)Cc1csc(COc2ccccc2)n1 ZINC000036114389 569093966 /nfs/dbraw/zinc/09/39/66/569093966.db2.gz ZVPIBPVEAFUAJO-UHFFFAOYSA-N 1 0 401.576 4.193 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000169681302 569127393 /nfs/dbraw/zinc/12/73/93/569127393.db2.gz VUELXODBIVAGIH-ZEQRLZLVSA-N 1 0 410.558 4.386 50 0 HIAARO CC(C)C(=O)N(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000036312836 569133117 /nfs/dbraw/zinc/13/31/17/569133117.db2.gz UPXSXHDTKXGABJ-LJQANCHMSA-N 1 0 412.578 4.267 50 0 HIAARO COc1ccc(Cc2nc3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3o2)cc1 ZINC000064968451 569138046 /nfs/dbraw/zinc/13/80/46/569138046.db2.gz ZMLQIIPOKQUMAC-UHFFFAOYSA-N 1 0 407.514 4.033 50 0 HIAARO CC[C@H](C)[N@H+](CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817723 569138692 /nfs/dbraw/zinc/13/86/92/569138692.db2.gz AJDYIALKZCPRRB-INIZCTEOSA-N 1 0 424.570 4.316 50 0 HIAARO COc1ccccc1[C@H]1CC(c2cccc(C)c2)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036345324 569143239 /nfs/dbraw/zinc/14/32/39/569143239.db2.gz UNQSCHGGHFMLDL-HSZRJFAPSA-N 1 0 405.542 4.413 50 0 HIAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025548 569156316 /nfs/dbraw/zinc/15/63/16/569156316.db2.gz WKFPMYYBUDPHSK-UHFFFAOYSA-N 1 0 407.562 4.104 50 0 HIAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895575 569175371 /nfs/dbraw/zinc/17/53/71/569175371.db2.gz XSMBXBMIXDGQBO-HHHXNRCGSA-N 1 0 410.967 4.093 50 0 HIAARO COc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000006905984 569178192 /nfs/dbraw/zinc/17/81/92/569178192.db2.gz LNBYAMKFITZUSX-NRFANRHFSA-N 1 0 416.949 4.459 50 0 HIAARO CCCn1c(-c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)nc2cccnc21 ZINC000065172871 569189979 /nfs/dbraw/zinc/18/99/79/569189979.db2.gz LEIDBPSRJUICIQ-UHFFFAOYSA-N 1 0 405.546 4.114 50 0 HIAARO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000036610982 569208813 /nfs/dbraw/zinc/20/88/13/569208813.db2.gz KOLTUJVOJRVSCR-UHFFFAOYSA-N 1 0 423.384 4.341 50 0 HIAARO CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccnn3C(C)C)sc2c1 ZINC000036701786 569223358 /nfs/dbraw/zinc/22/33/58/569223358.db2.gz WBOFTQTYBIHBCO-UHFFFAOYSA-N 1 0 415.563 4.071 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000007263620 569230780 /nfs/dbraw/zinc/23/07/80/569230780.db2.gz FLZOJMCUJPJFAY-OAQYLSRUSA-N 1 0 408.473 4.128 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000007263657 569230831 /nfs/dbraw/zinc/23/08/31/569230831.db2.gz FLZOJMCUJPJFAY-NRFANRHFSA-N 1 0 408.473 4.128 50 0 HIAARO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(C)cc1C ZINC000089614253 569261214 /nfs/dbraw/zinc/26/12/14/569261214.db2.gz JXTFXJWWCNBFAI-JOCHJYFZSA-N 1 0 418.541 4.273 50 0 HIAARO COC[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000252536374 569292842 /nfs/dbraw/zinc/29/28/42/569292842.db2.gz IHRBAUWKEGMRHW-UTKZUKDTSA-N 1 0 420.475 4.487 50 0 HIAARO COC(=O)c1sc2nc(C)nc(NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2c1C ZINC000007814915 569312656 /nfs/dbraw/zinc/31/26/56/569312656.db2.gz QMOCSTKBCUVOKS-HNNXBMFYSA-N 1 0 414.531 4.327 50 0 HIAARO O=C(COc1ccc(Cl)cc1Cl)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000253393992 569365116 /nfs/dbraw/zinc/36/51/16/569365116.db2.gz AXXVBWLQWQUEDB-UHFFFAOYSA-N 1 0 417.402 4.096 50 0 HIAARO COc1ccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC000253398422 569365427 /nfs/dbraw/zinc/36/54/27/569365427.db2.gz CDPDJSWPHRTENH-AVJFOWIRSA-N 1 0 424.585 4.058 50 0 HIAARO O=C(CC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1 ZINC000253427891 569368487 /nfs/dbraw/zinc/36/84/87/569368487.db2.gz HCYNKYSRQPYSND-OAQYLSRUSA-N 1 0 408.933 4.328 50 0 HIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000012880832 569404473 /nfs/dbraw/zinc/40/44/73/569404473.db2.gz HDAJZIPHBMYKGQ-MWXBQQNOSA-N 1 0 421.581 4.290 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369568 569412609 /nfs/dbraw/zinc/41/26/09/569412609.db2.gz DHARCPCFKPYXJX-OAQYLSRUSA-N 1 0 404.558 4.474 50 0 HIAARO C[N@H+](CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21)C1CCCCC1 ZINC000013369592 569412710 /nfs/dbraw/zinc/41/27/10/569412710.db2.gz QTIIFEHKJYSPMP-UHFFFAOYSA-N 1 0 404.558 4.474 50 0 HIAARO NC(=O)c1cccnc1N1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000078989950 569423019 /nfs/dbraw/zinc/42/30/19/569423019.db2.gz HCNZKLZJJIQDFC-UHFFFAOYSA-N 1 0 424.545 4.054 50 0 HIAARO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000019804904 569430457 /nfs/dbraw/zinc/43/04/57/569430457.db2.gz WTZUJLFJNJUKSX-QHCPKHFHSA-N 1 0 424.541 4.119 50 0 HIAARO Cc1ccccc1C1(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000089689215 571047791 /nfs/dbraw/zinc/04/77/91/571047791.db2.gz SCYBOAMVUQGKCM-VWNXMTODSA-N 1 0 420.597 4.460 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccsc1 ZINC000040103939 571164739 /nfs/dbraw/zinc/16/47/39/571164739.db2.gz BJDXKSZCRCPMIT-IBGZPJMESA-N 1 0 400.548 4.080 50 0 HIAARO O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000040134873 571187992 /nfs/dbraw/zinc/18/79/92/571187992.db2.gz WIZCBEJAVWKRPU-UHFFFAOYSA-N 1 0 404.514 4.200 50 0 HIAARO COc1cccc(N2CCN(C3CC[NH+](Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000244933203 571210457 /nfs/dbraw/zinc/21/04/57/571210457.db2.gz CHDNJZIQNCELLU-UHFFFAOYSA-N 1 0 405.542 4.228 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000245258123 571221406 /nfs/dbraw/zinc/22/14/06/571221406.db2.gz KDFAJTJSIKTAOD-LADGPHEKSA-N 1 0 419.569 4.029 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(F)c1)N(CC[NH+](C)C)C3=O ZINC000009328228 571248339 /nfs/dbraw/zinc/24/83/39/571248339.db2.gz ZCUIWNLTPXYDQL-LJQANCHMSA-N 1 0 414.864 4.001 50 0 HIAARO COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000069920159 571249891 /nfs/dbraw/zinc/24/98/91/571249891.db2.gz GSOFZCWUOYGFMI-HXUWFJFHSA-N 1 0 423.395 4.079 50 0 HIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009549062 571268016 /nfs/dbraw/zinc/26/80/16/571268016.db2.gz JDAMYOSLTWLZTG-QHCPKHFHSA-N 1 0 421.541 4.378 50 0 HIAARO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1NC(=O)c1ccco1 ZINC000009577347 571269915 /nfs/dbraw/zinc/26/99/15/571269915.db2.gz QQTQNLALPPEXFS-LJQANCHMSA-N 1 0 407.470 4.000 50 0 HIAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000010312776 571300118 /nfs/dbraw/zinc/30/01/18/571300118.db2.gz CGNONDUIXSHQQS-UHFFFAOYSA-N 1 0 401.510 4.287 50 0 HIAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1C[NH2+]Cc1ccccc1 ZINC000002940827 845009321 /nfs/dbraw/zinc/00/93/21/845009321.db2.gz XSUUZUDUNDLVQZ-UHFFFAOYSA-N 1 0 417.303 4.113 50 0 HIAARO CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C1CC[NH+](C)CC1 ZINC000003368017 845014235 /nfs/dbraw/zinc/01/42/35/845014235.db2.gz IWQLGKPMDYNAPG-ZHACJKMWSA-N 1 0 406.555 4.167 50 0 HIAARO COC(=O)c1ccc(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000011816747 845836342 /nfs/dbraw/zinc/83/63/42/845836342.db2.gz HVFNVJZZGNNYGW-UHFFFAOYSA-N 1 0 421.459 4.309 50 0 HIAARO CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011843863 845837774 /nfs/dbraw/zinc/83/77/74/845837774.db2.gz GWMHITXUWTZADL-HSZRJFAPSA-N 1 0 423.601 4.179 50 0 HIAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)ccc1F ZINC000012030651 845848391 /nfs/dbraw/zinc/84/83/91/845848391.db2.gz MPSCURSRGIJPGQ-SFHVURJKSA-N 1 0 415.509 4.165 50 0 HIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc4ccccc4o3)[N@@H+]3CCC[C@@]23C1=O ZINC000012027136 845848622 /nfs/dbraw/zinc/84/86/22/845848622.db2.gz QYTRBHPJDRZGRD-RLSLOFABSA-N 1 0 402.494 4.379 50 0 HIAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)ccc1F ZINC000012030647 845848672 /nfs/dbraw/zinc/84/86/72/845848672.db2.gz MPSCURSRGIJPGQ-GOSISDBHSA-N 1 0 415.509 4.165 50 0 HIAARO Fc1ccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1F ZINC000012184255 845857836 /nfs/dbraw/zinc/85/78/36/845857836.db2.gz XUXKWXMWRCHLLR-GOSISDBHSA-N 1 0 418.557 4.322 50 0 HIAARO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc(C)c1O ZINC000012432276 845869958 /nfs/dbraw/zinc/86/99/58/845869958.db2.gz FDCCUXRXFWKTEJ-FQEVSTJZSA-N 1 0 404.514 4.250 50 0 HIAARO CSc1nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cs1 ZINC000012470030 845873412 /nfs/dbraw/zinc/87/34/12/845873412.db2.gz ALCQSWQDSJAAJK-OAQYLSRUSA-N 1 0 401.601 4.036 50 0 HIAARO CSc1nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cs1 ZINC000012470035 845873492 /nfs/dbraw/zinc/87/34/92/845873492.db2.gz ALCQSWQDSJAAJK-NRFANRHFSA-N 1 0 401.601 4.036 50 0 HIAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012586339 845877590 /nfs/dbraw/zinc/87/75/90/845877590.db2.gz PYGLRWYZQFYKCV-QHCPKHFHSA-N 1 0 400.632 4.465 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccsc3)C2)c(OC)c1 ZINC000014957655 845994539 /nfs/dbraw/zinc/99/45/39/845994539.db2.gz YNNONQLKRIWTNE-KRWDZBQOSA-N 1 0 402.560 4.074 50 0 HIAARO Cc1cc2nc(N3CCC([NH2+][C@H](Cn4ccnc4)C(C)(C)C)CC3)nc(C)c2cc1C ZINC000014995458 845998055 /nfs/dbraw/zinc/99/80/55/845998055.db2.gz XIZPOCQVVLZTAK-HSZRJFAPSA-N 1 0 420.605 4.425 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000020877988 846392264 /nfs/dbraw/zinc/39/22/64/846392264.db2.gz OGIGOJWYYLQWLX-YZDHWTPESA-N 1 0 409.618 4.106 50 0 HIAARO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccc(OC(F)F)cc1)[NH+]1CCCC1 ZINC000096577978 852550596 /nfs/dbraw/zinc/55/05/96/852550596.db2.gz WPOMYRSCDUALNZ-KTZABMDBSA-N 1 0 416.468 4.263 50 0 HIAARO Cc1nnc([C@H]2CC3(CN2Cc2cccnc2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257190665 854234985 /nfs/dbraw/zinc/23/49/85/854234985.db2.gz NHSDPFOXBPBPDW-JOCHJYFZSA-N 1 0 403.530 4.002 50 0 HIAARO c1cn2c(n1)[C@H](C1CC[NH+](Cc3cccnc3)CC1)N(CCc1ccccc1)CCC2 ZINC000257193360 854235091 /nfs/dbraw/zinc/23/50/91/854235091.db2.gz YDKNAJPPOXWEEM-VWLOTQADSA-N 1 0 415.585 4.180 50 0 HIAARO COc1ccc(C[NH2+]C2CCN(c3nc(C)c4cc(C)c(F)cc4n3)CC2)cc1OC ZINC000299762872 854280638 /nfs/dbraw/zinc/28/06/38/854280638.db2.gz CTBZRTUNRSKPHE-UHFFFAOYSA-N 1 0 424.520 4.162 50 0 HIAARO FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4cc[nH]n4)s3)C2)nc1 ZINC000011819578 132351170 /nfs/dbraw/zinc/35/11/70/132351170.db2.gz JIUJFPDCGVDETM-AWEZNQCLSA-N 1 0 407.465 4.311 50 0 HIAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3ccco3)CC2)cc1 ZINC000012243737 132357721 /nfs/dbraw/zinc/35/77/21/132357721.db2.gz MMRCAZIBOAMOAK-UHFFFAOYSA-N 1 0 405.498 4.056 50 0 HIAARO CC(C)Oc1c(Br)cc(C[NH2+]C[C@H]2CCCO2)cc1Br ZINC000040730493 519777478 /nfs/dbraw/zinc/77/74/78/519777478.db2.gz PQEWPKZPVOBXBG-GFCCVEGCSA-N 1 0 407.146 4.267 50 0 HIAARO CC1(C)C[C@@H]([C@@H](CC[NH2+]CCN2CCOCC2)Cc2ccccc2Cl)CCO1 ZINC000020590605 520529087 /nfs/dbraw/zinc/52/90/87/520529087.db2.gz PIILXQVIYUAKMK-FPOVZHCZSA-N 1 0 409.014 4.016 50 0 HIAARO CCOc1cc(CNCCC[NH2+]C)cc(Br)c1OCc1cccc(C)c1 ZINC000040720438 520712001 /nfs/dbraw/zinc/71/20/01/520712001.db2.gz DFGNRDUWIXQDGG-UHFFFAOYSA-N 1 0 421.379 4.434 50 0 HIAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000040720439 520713730 /nfs/dbraw/zinc/71/37/30/520713730.db2.gz NVGJXUZDJWZLDB-UHFFFAOYSA-N 1 0 421.379 4.386 50 0 HIAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1C ZINC000040744049 520720257 /nfs/dbraw/zinc/72/02/57/520720257.db2.gz WHLRZTGENZGHGZ-OAHLLOKOSA-N 1 0 408.336 4.206 50 0 HIAARO CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)no2)cc1 ZINC000032622504 520804582 /nfs/dbraw/zinc/80/45/82/520804582.db2.gz SIYRDTQKCRKTPG-FQEVSTJZSA-N 1 0 413.905 4.426 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccsc1 ZINC000031984407 520867004 /nfs/dbraw/zinc/86/70/04/520867004.db2.gz XHGUWKCKYLFESD-LJQANCHMSA-N 1 0 419.978 4.341 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720692 521658156 /nfs/dbraw/zinc/65/81/56/521658156.db2.gz CWQRKZGZASEJAH-NRFANRHFSA-N 1 0 415.965 4.240 50 0 HIAARO CN(C)CC[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040720408 521790061 /nfs/dbraw/zinc/79/00/61/521790061.db2.gz PISRYEREAFBMML-UHFFFAOYSA-N 1 0 415.734 4.472 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)no2)cc1 ZINC000032593964 523097687 /nfs/dbraw/zinc/09/76/87/523097687.db2.gz SOSCYUIVQUJNHF-JOCHJYFZSA-N 1 0 405.498 4.226 50 0 HIAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc3ncsc3c2)CC1 ZINC000030254558 523925905 /nfs/dbraw/zinc/92/59/05/523925905.db2.gz IRSBIATWHDHYFO-UHFFFAOYSA-N 1 0 420.460 4.319 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2csc(Br)c2)[NH+]2CCCC2)c1 ZINC000032779792 524161857 /nfs/dbraw/zinc/16/18/57/524161857.db2.gz XNJIWSQIJUSCCI-INIZCTEOSA-N 1 0 409.349 4.086 50 0 HIAARO Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762309 525117075 /nfs/dbraw/zinc/11/70/75/525117075.db2.gz QZXJVARMKRURGK-OAHLLOKOSA-N 1 0 403.573 4.033 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)[NH+](C)C)cc1 ZINC000032203906 525186959 /nfs/dbraw/zinc/18/69/59/525186959.db2.gz XUSUFJVFCHKNQL-HSZRJFAPSA-N 1 0 418.541 4.099 50 0 HIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000032811498 525412569 /nfs/dbraw/zinc/41/25/69/525412569.db2.gz NVVHZVQRRSRCAV-HXUWFJFHSA-N 1 0 404.457 4.092 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cs1 ZINC000032931180 526912212 /nfs/dbraw/zinc/91/22/12/526912212.db2.gz OOEJNYNVWMHCTE-MRXNPFEDSA-N 1 0 403.617 4.376 50 0 HIAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]CCCN1CCOCC1 ZINC000040719879 526978639 /nfs/dbraw/zinc/97/86/39/526978639.db2.gz JICXRMUHWVFHQI-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040739748 527555327 /nfs/dbraw/zinc/55/53/27/527555327.db2.gz MOGLLZFNUWKUJB-UHFFFAOYSA-N 1 0 405.119 4.417 50 0 HIAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000032843156 527658333 /nfs/dbraw/zinc/65/83/33/527658333.db2.gz BQWNDSDANVLCTC-DVECYGJZSA-N 1 0 423.534 4.002 50 0 HIAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000002358724 535507423 /nfs/dbraw/zinc/50/74/23/535507423.db2.gz PENOOFOTIRHLGL-OQKWZONESA-N 1 0 405.542 4.153 50 0 HIAARO COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc2c1 ZINC000008026348 537039234 /nfs/dbraw/zinc/03/92/34/537039234.db2.gz FEMFHLOBMAPVRX-GOSISDBHSA-N 1 0 403.526 4.342 50 0 HIAARO COc1ccccc1-n1cc(-c2ccccc2)[n+]2c1SC[C@]2(O)c1ccccc1 ZINC000000643795 557034060 /nfs/dbraw/zinc/03/40/60/557034060.db2.gz FELIYDBISUONKY-DEOSSOPVSA-N 1 0 401.511 4.240 50 0 HIAARO C[C@@H]1CCCN(c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)C1 ZINC000022636043 557308049 /nfs/dbraw/zinc/30/80/49/557308049.db2.gz MHNOAWVWPPNNEH-UXHICEINSA-N 1 0 408.590 4.465 50 0 HIAARO Fc1ccc(C[NH+]2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)c2ncccc12 ZINC000071890598 557317924 /nfs/dbraw/zinc/31/79/24/557317924.db2.gz UISIRGRGLNSNDE-LJQANCHMSA-N 1 0 405.521 4.462 50 0 HIAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681907 557383931 /nfs/dbraw/zinc/38/39/31/557383931.db2.gz FDESIWWUAGSCCV-UHFFFAOYSA-N 1 0 422.479 4.324 50 0 HIAARO C[NH+]1CCC(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000002867596 557412976 /nfs/dbraw/zinc/41/29/76/557412976.db2.gz CEQMJJYZMKMQLX-UHFFFAOYSA-N 1 0 424.342 4.488 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)c3n2CCC3)cc1 ZINC000004070307 557509356 /nfs/dbraw/zinc/50/93/56/557509356.db2.gz OCSYXDGHNWBLSC-JMUQELJHSA-N 1 0 411.566 4.401 50 0 HIAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004462349 557556175 /nfs/dbraw/zinc/55/61/75/557556175.db2.gz MCYOYFNDUAPHQY-HSZRJFAPSA-N 1 0 416.562 4.247 50 0 HIAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000004657436 557576871 /nfs/dbraw/zinc/57/68/71/557576871.db2.gz JPZGSTVSKVPQLX-UHFFFAOYSA-N 1 0 415.372 4.029 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)ccc1OCc1ccccc1 ZINC000004745273 557591598 /nfs/dbraw/zinc/59/15/98/557591598.db2.gz VCXVLGREISECBB-HSZRJFAPSA-N 1 0 422.569 4.499 50 0 HIAARO COc1ccc(CN2C(=O)C[C@@H]([NH+]3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000004776348 557596934 /nfs/dbraw/zinc/59/69/34/557596934.db2.gz UYDBJHUPNWSABI-XMMPIXPASA-N 1 0 420.553 4.058 50 0 HIAARO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000002785845 557759011 /nfs/dbraw/zinc/75/90/11/557759011.db2.gz XLLRXJJWTMYBJH-INIZCTEOSA-N 1 0 419.363 4.488 50 0 HIAARO Cc1cccnc1CNC(=O)CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019742397 558262673 /nfs/dbraw/zinc/26/26/73/558262673.db2.gz NNFBZWZEPYFADL-DEOSSOPVSA-N 1 0 419.500 4.171 50 0 HIAARO CN(C(=O)c1ccccc1-n1cccn1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011661415 558265373 /nfs/dbraw/zinc/26/53/73/558265373.db2.gz ONMKUISXPNHYGQ-QFIPXVFZSA-N 1 0 402.542 4.042 50 0 HIAARO COc1ccc2cc(-c3n[nH]cc3CN3CCC([NH+]4CCSCC4)CC3)ccc2c1 ZINC000011663390 558266967 /nfs/dbraw/zinc/26/69/67/558266967.db2.gz XQAPQLPCHGJMOO-UHFFFAOYSA-N 1 0 422.598 4.252 50 0 HIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 ZINC000011702009 558270422 /nfs/dbraw/zinc/27/04/22/558270422.db2.gz BBXOBQQAVYZQAY-LJQANCHMSA-N 1 0 413.562 4.356 50 0 HIAARO Cc1nc[nH]c1C[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000011753375 558272334 /nfs/dbraw/zinc/27/23/34/558272334.db2.gz UQSZRWSYIWDRGJ-UHFFFAOYSA-N 1 0 413.913 4.049 50 0 HIAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1 ZINC000011788225 558276726 /nfs/dbraw/zinc/27/67/26/558276726.db2.gz UTPVINSVUHNUEY-NRFANRHFSA-N 1 0 416.924 4.423 50 0 HIAARO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CCCc1ccccc1 ZINC000011789370 558277231 /nfs/dbraw/zinc/27/72/31/558277231.db2.gz GEIHTWDWWPEAEA-UGKGYDQZSA-N 1 0 422.598 4.255 50 0 HIAARO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1 ZINC000011814032 558278268 /nfs/dbraw/zinc/27/82/68/558278268.db2.gz SCIAFHDMHLUBPL-UHFFFAOYSA-N 1 0 408.477 4.202 50 0 HIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCC(F)(F)F ZINC000011817711 558281019 /nfs/dbraw/zinc/28/10/19/558281019.db2.gz AHSOYHPVSVFVCM-SFHVURJKSA-N 1 0 400.485 4.141 50 0 HIAARO COc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1Br ZINC000019781726 558281092 /nfs/dbraw/zinc/28/10/92/558281092.db2.gz AWXNIAKXARMRMQ-UHFFFAOYSA-N 1 0 414.347 4.257 50 0 HIAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000019790583 558282441 /nfs/dbraw/zinc/28/24/41/558282441.db2.gz RJQUHFUCZUEJTL-UHFFFAOYSA-N 1 0 403.501 4.171 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000011819607 558282741 /nfs/dbraw/zinc/28/27/41/558282741.db2.gz XVFQIGKLJRSEDI-UHFFFAOYSA-N 1 0 410.465 4.153 50 0 HIAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(C)cc4C)CC3)O2)cs1 ZINC000011872075 558290416 /nfs/dbraw/zinc/29/04/16/558290416.db2.gz OBEBYTIRYSGTSJ-HXUWFJFHSA-N 1 0 413.587 4.012 50 0 HIAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000011874103 558291709 /nfs/dbraw/zinc/29/17/09/558291709.db2.gz WUKRYZMBYAODBS-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO CC(C)/C=C/C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011878715 558293123 /nfs/dbraw/zinc/29/31/23/558293123.db2.gz TZLYNNCOGQLVJF-CZQLGGELSA-N 1 0 402.554 4.258 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1Cc1ccccc1OC(F)(F)F ZINC000011910614 558296683 /nfs/dbraw/zinc/29/66/83/558296683.db2.gz KSGKNGXGRCETKH-KRWDZBQOSA-N 1 0 410.411 4.395 50 0 HIAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCN1CCOCC1 ZINC000019871700 558299735 /nfs/dbraw/zinc/29/97/35/558299735.db2.gz HGOMOZRSFODBBA-UHFFFAOYSA-N 1 0 408.517 4.370 50 0 HIAARO O=C(CCN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)CCC2 ZINC000019900050 558304694 /nfs/dbraw/zinc/30/46/94/558304694.db2.gz AEOYHWGMVVXPSS-UHFFFAOYSA-N 1 0 413.565 4.475 50 0 HIAARO COc1cc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000012023996 558309708 /nfs/dbraw/zinc/30/97/08/558309708.db2.gz YOPDCTKUJFWHAF-UHFFFAOYSA-N 1 0 413.558 4.310 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](CCCn2cccn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012023016 558309781 /nfs/dbraw/zinc/30/97/81/558309781.db2.gz SNJDUKVAYJXDMG-QGZVFWFLSA-N 1 0 408.468 4.423 50 0 HIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccc(OC(F)(F)F)c2)c1 ZINC000012036021 558311823 /nfs/dbraw/zinc/31/18/23/558311823.db2.gz IXFKIXQADUDCPG-GOSISDBHSA-N 1 0 422.447 4.265 50 0 HIAARO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019940119 558314009 /nfs/dbraw/zinc/31/40/09/558314009.db2.gz RWRFCOMBTMHJRV-HXUWFJFHSA-N 1 0 403.448 4.351 50 0 HIAARO O=C(c1ccc(Cl)cc1OC1CC[NH+]([C@H]2CCSC2)CC1)N1CCCCC1 ZINC000012073858 558318701 /nfs/dbraw/zinc/31/87/01/558318701.db2.gz KUGSQGTWFOSETQ-KRWDZBQOSA-N 1 0 408.995 4.315 50 0 HIAARO C[N@@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@@H]1COCCO1 ZINC000012075427 558319619 /nfs/dbraw/zinc/31/96/19/558319619.db2.gz IEEPGKYRSWFKMV-LJQANCHMSA-N 1 0 415.896 4.179 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(C)s3)C2)c(OC)c1 ZINC000012075822 558319650 /nfs/dbraw/zinc/31/96/50/558319650.db2.gz SOJOPWMDDILMFU-GOSISDBHSA-N 1 0 416.587 4.382 50 0 HIAARO O=C(c1cccc(F)c1F)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012091173 558324175 /nfs/dbraw/zinc/32/41/75/558324175.db2.gz ULASNRFLOCGOID-IBGZPJMESA-N 1 0 406.517 4.241 50 0 HIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012091037 558324263 /nfs/dbraw/zinc/32/42/63/558324263.db2.gz LJDGQIYOBWLODK-GOSISDBHSA-N 1 0 407.432 4.171 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)Cc1cccc(F)c1 ZINC000012093137 558324805 /nfs/dbraw/zinc/32/48/05/558324805.db2.gz ZVOVKIHPIVTDNN-UHFFFAOYSA-N 1 0 402.941 4.435 50 0 HIAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000020059510 558329086 /nfs/dbraw/zinc/32/90/86/558329086.db2.gz JIWLKQFUADLPCW-QHCPKHFHSA-N 1 0 417.597 4.007 50 0 HIAARO CCN(Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000020109611 558334784 /nfs/dbraw/zinc/33/47/84/558334784.db2.gz MOPGLZPKCNHXAF-QFIPXVFZSA-N 1 0 420.601 4.359 50 0 HIAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(C)c2)CC1 ZINC000020109768 558335077 /nfs/dbraw/zinc/33/50/77/558335077.db2.gz YQFAAAIRIMYJDZ-SFHVURJKSA-N 1 0 409.357 4.172 50 0 HIAARO c1ccc(OCCOCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020118523 558336816 /nfs/dbraw/zinc/33/68/16/558336816.db2.gz XGYJQKQULCSLIR-UHFFFAOYSA-N 1 0 416.565 4.489 50 0 HIAARO CCN(Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020211460 558347504 /nfs/dbraw/zinc/34/75/04/558347504.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 1 0 408.565 4.489 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020211789 558347894 /nfs/dbraw/zinc/34/78/94/558347894.db2.gz PIOYIDIPPJVFGP-FQEVSTJZSA-N 1 0 408.571 4.496 50 0 HIAARO CC(C)[NH2+][C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000012244623 558361163 /nfs/dbraw/zinc/36/11/63/558361163.db2.gz LPNANJKKTOLLJS-OAHLLOKOSA-N 1 0 421.488 4.380 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000020453740 558367791 /nfs/dbraw/zinc/36/77/91/558367791.db2.gz CVCYPUKNJZMMPV-OAQYLSRUSA-N 1 0 411.615 4.204 50 0 HIAARO Cc1ccc2[nH]nc(C(=O)N(C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000012299798 558369693 /nfs/dbraw/zinc/36/96/93/558369693.db2.gz DSZHEDUBDDVCOB-OAQYLSRUSA-N 1 0 424.589 4.147 50 0 HIAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)no1 ZINC000012308126 558376360 /nfs/dbraw/zinc/37/63/60/558376360.db2.gz FRRNLYQDUFKBDU-UHFFFAOYSA-N 1 0 418.541 4.241 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2cccc(OCCO)c2)cc1 ZINC000012314419 558377750 /nfs/dbraw/zinc/37/77/50/558377750.db2.gz GDCHLBZCALNXJG-HSZRJFAPSA-N 1 0 421.541 4.055 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cn(C)c4ccccc34)C2)cc1 ZINC000012315325 558378585 /nfs/dbraw/zinc/37/85/85/558378585.db2.gz YIKWIGJCJUJCOU-NRFANRHFSA-N 1 0 419.569 4.214 50 0 HIAARO Clc1ccc(-n2cccc2C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)nc1 ZINC000012318882 558381805 /nfs/dbraw/zinc/38/18/05/558381805.db2.gz HGMOLFDSNSGELY-IBGZPJMESA-N 1 0 404.905 4.274 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c(OC)c1 ZINC000012386992 558395937 /nfs/dbraw/zinc/39/59/37/558395937.db2.gz VQUQISCMPDPTLF-GOSISDBHSA-N 1 0 414.521 4.152 50 0 HIAARO CCN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012429327 558404249 /nfs/dbraw/zinc/40/42/49/558404249.db2.gz MWXMOILSPYXCIO-NRFANRHFSA-N 1 0 406.574 4.348 50 0 HIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+]([C@@H](C)Cc2cc(C)ccn2)CC1 ZINC000012440345 558411436 /nfs/dbraw/zinc/41/14/36/558411436.db2.gz WXLWHVGSVLGJNR-FQEVSTJZSA-N 1 0 410.558 4.218 50 0 HIAARO CC1(C)C[C@@]1(C[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1 ZINC000020906496 558421176 /nfs/dbraw/zinc/42/11/76/558421176.db2.gz YMDBHMFDEBQMQM-HSZRJFAPSA-N 1 0 408.571 4.089 50 0 HIAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cccc(OC)c2)C[C@@]1(C)CO ZINC000020909935 558422029 /nfs/dbraw/zinc/42/20/29/558422029.db2.gz MLZITIBRVMCTCQ-OIBXWCBGSA-N 1 0 402.966 4.272 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cc(C)c(C)o3)C2)c(OC)c1 ZINC000012577651 558431527 /nfs/dbraw/zinc/43/15/27/558431527.db2.gz GELCWNDADJTUIZ-IBGZPJMESA-N 1 0 414.546 4.222 50 0 HIAARO C[NH+](C)C1(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CCCCCC1 ZINC000021200989 558433807 /nfs/dbraw/zinc/43/38/07/558433807.db2.gz MIQBIWBIOWAALO-UHFFFAOYSA-N 1 0 420.557 4.298 50 0 HIAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3sccc3C)C2)c(OC)c1 ZINC000012585490 558433835 /nfs/dbraw/zinc/43/38/35/558433835.db2.gz YJMKHWZIMREROX-GOSISDBHSA-N 1 0 416.587 4.382 50 0 HIAARO Cc1nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793709 558449162 /nfs/dbraw/zinc/44/91/62/558449162.db2.gz RHPINQXYWMZSIC-UHFFFAOYSA-N 1 0 421.589 4.035 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CSc1ccccc1 ZINC000012706564 558450228 /nfs/dbraw/zinc/45/02/28/558450228.db2.gz AZDAYWWHIOOYKB-UHFFFAOYSA-N 1 0 400.563 4.331 50 0 HIAARO C[NH+](C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(cc(F)cc2F)s1 ZINC000004359419 558451555 /nfs/dbraw/zinc/45/15/55/558451555.db2.gz OIZNDBOUMDHCKA-UHFFFAOYSA-N 1 0 401.891 4.498 50 0 HIAARO CCc1nn2c(nc(C[N@H+](CCc3ccccc3)Cc3ccc(C)s3)cc2=O)s1 ZINC000021842899 558451911 /nfs/dbraw/zinc/45/19/11/558451911.db2.gz LNQCMKARGYOWOZ-UHFFFAOYSA-N 1 0 424.595 4.328 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710551 558452163 /nfs/dbraw/zinc/45/21/63/558452163.db2.gz WGHOSQXTGHOJQQ-NRFANRHFSA-N 1 0 412.574 4.099 50 0 HIAARO C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000005239649 558452287 /nfs/dbraw/zinc/45/22/87/558452287.db2.gz FTYTZBLNKWPCHI-UHFFFAOYSA-N 1 0 407.511 4.261 50 0 HIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cnn(-c4ccccc4F)c3)c2C)cc1 ZINC000012715193 558454615 /nfs/dbraw/zinc/45/46/15/558454615.db2.gz YAZGMLPZUXSXJP-MRXNPFEDSA-N 1 0 405.477 4.365 50 0 HIAARO CC(C)n1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cn1 ZINC000012718908 558456138 /nfs/dbraw/zinc/45/61/38/558456138.db2.gz XTUYZCBFMHMNAW-UHFFFAOYSA-N 1 0 402.970 4.144 50 0 HIAARO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1C ZINC000012746323 558458063 /nfs/dbraw/zinc/45/80/63/558458063.db2.gz LBZZCVRIHQEBFL-FQEVSTJZSA-N 1 0 410.558 4.039 50 0 HIAARO COc1ccc(OCC[N@H+](C)Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012803263 558472538 /nfs/dbraw/zinc/47/25/38/558472538.db2.gz FNTJYWPHQROLSA-UHFFFAOYSA-N 1 0 418.287 4.075 50 0 HIAARO CCOC(=O)c1nc(NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)ncc1Cl ZINC000012974299 558490337 /nfs/dbraw/zinc/49/03/37/558490337.db2.gz OZXFMNCTOCIUEB-INIZCTEOSA-N 1 0 411.333 4.455 50 0 HIAARO c1ccc(C(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000022586698 558499909 /nfs/dbraw/zinc/49/99/09/558499909.db2.gz HXRWRNXFFRZWMV-UHFFFAOYSA-N 1 0 400.522 4.365 50 0 HIAARO CC[NH+](CC)[C@H](CNc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000013069616 558510944 /nfs/dbraw/zinc/51/09/44/558510944.db2.gz HVPGRZHOFKDHDT-OAQYLSRUSA-N 1 0 410.949 4.440 50 0 HIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cnc(N(C)C)s4)C3)ccc2c1 ZINC000023128565 558536288 /nfs/dbraw/zinc/53/62/88/558536288.db2.gz QKVATIMXBGVBKW-LJQANCHMSA-N 1 0 409.555 4.466 50 0 HIAARO Cn1cc(C[NH+]2CCC([C@@H](O)CCc3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000013594853 558546914 /nfs/dbraw/zinc/54/69/14/558546914.db2.gz MZXIYEJYRZQJPV-DEOSSOPVSA-N 1 0 407.533 4.432 50 0 HIAARO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000023312231 558548632 /nfs/dbraw/zinc/54/86/32/558548632.db2.gz AYTYRNPIIVLVAT-UHFFFAOYSA-N 1 0 404.510 4.296 50 0 HIAARO CN(Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000023337605 558550076 /nfs/dbraw/zinc/55/00/76/558550076.db2.gz GUSMWQOTDZYVPT-FQEVSTJZSA-N 1 0 412.578 4.459 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1cccs1 ZINC000023563031 558562395 /nfs/dbraw/zinc/56/23/95/558562395.db2.gz RWDMVKBSFJLQFS-HXUWFJFHSA-N 1 0 420.538 4.008 50 0 HIAARO COc1cc(C[NH2+]Cc2ccccc2Cl)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717618 558580188 /nfs/dbraw/zinc/58/01/88/558580188.db2.gz XPLBWNOVARKFJB-UHFFFAOYSA-N 1 0 421.888 4.406 50 0 HIAARO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000013721155 558581899 /nfs/dbraw/zinc/58/18/99/558581899.db2.gz ZTKCMAWHBASTTL-UHFFFAOYSA-N 1 0 418.965 4.365 50 0 HIAARO COCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000013722361 558582735 /nfs/dbraw/zinc/58/27/35/558582735.db2.gz NYTIZDSFCCIDFP-UHFFFAOYSA-N 1 0 412.299 4.302 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1ccccc1F ZINC000013727656 558585271 /nfs/dbraw/zinc/58/52/71/558585271.db2.gz MUWYKLADOBSRHJ-UHFFFAOYSA-N 1 0 420.912 4.169 50 0 HIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000024445228 558597819 /nfs/dbraw/zinc/59/78/19/558597819.db2.gz NKZQSOFKINNGDI-UHFFFAOYSA-N 1 0 416.493 4.172 50 0 HIAARO COc1cccc([C@@H](CNC(=O)Cc2c(C)[nH]c3ccc(F)cc32)[NH+]2CCCC2)c1 ZINC000024537692 558600603 /nfs/dbraw/zinc/60/06/03/558600603.db2.gz HFBPUZDLKSCIDV-HSZRJFAPSA-N 1 0 409.505 4.120 50 0 HIAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014140246 558624876 /nfs/dbraw/zinc/62/48/76/558624876.db2.gz YXWUMPZDSKXGCS-NRFANRHFSA-N 1 0 422.960 4.206 50 0 HIAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000024989374 558625722 /nfs/dbraw/zinc/62/57/22/558625722.db2.gz BBTLERZNXNYITM-KRWDZBQOSA-N 1 0 420.962 4.059 50 0 HIAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000014184616 558629973 /nfs/dbraw/zinc/62/99/73/558629973.db2.gz HPOPJWZXWDUHEE-UHFFFAOYSA-N 1 0 414.525 4.113 50 0 HIAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014200937 558636583 /nfs/dbraw/zinc/63/65/83/558636583.db2.gz OAKOVNVYZPJBSD-WWNPGLIZSA-N 1 0 409.526 4.050 50 0 HIAARO CC(C)(CNC(=O)c1cc(Br)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000025464437 558641846 /nfs/dbraw/zinc/64/18/46/558641846.db2.gz WDWXQCRBTFXBBZ-UHFFFAOYSA-N 1 0 405.311 4.155 50 0 HIAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCC(C)C ZINC000014532630 558656702 /nfs/dbraw/zinc/65/67/02/558656702.db2.gz RZQMDXHMVQIGTI-IBGZPJMESA-N 1 0 415.578 4.139 50 0 HIAARO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCCC2 ZINC000026299823 558658614 /nfs/dbraw/zinc/65/86/14/558658614.db2.gz DPLKYXYRQXYXQW-OALUTQOASA-N 1 0 417.557 4.016 50 0 HIAARO CCc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027582949 558675959 /nfs/dbraw/zinc/67/59/59/558675959.db2.gz WIVYOBVIIMQKOV-XMMPIXPASA-N 1 0 410.558 4.370 50 0 HIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](C2CSCCSC2)CC1 ZINC000014964091 558685191 /nfs/dbraw/zinc/68/51/91/558685191.db2.gz WOGRDZMSOIKJMU-UHFFFAOYSA-N 1 0 419.641 4.309 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1)N1CCOCC1 ZINC000014966940 558686102 /nfs/dbraw/zinc/68/61/02/558686102.db2.gz PEWJVYJISOFRLG-QFIPXVFZSA-N 1 0 422.569 4.117 50 0 HIAARO COc1cc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc(Cl)c1O ZINC000014966715 558686129 /nfs/dbraw/zinc/68/61/29/558686129.db2.gz OCZWIAKCACZUMW-CQSZACIVSA-N 1 0 403.935 4.423 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1)N1CCOCC1 ZINC000014966944 558686168 /nfs/dbraw/zinc/68/61/68/558686168.db2.gz PEWJVYJISOFRLG-JOCHJYFZSA-N 1 0 422.569 4.117 50 0 HIAARO CCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000014971349 558687411 /nfs/dbraw/zinc/68/74/11/558687411.db2.gz NHQQJDALRVCDPO-HXUWFJFHSA-N 1 0 402.542 4.212 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000027990337 558688116 /nfs/dbraw/zinc/68/81/16/558688116.db2.gz UCMJZFJBSKYJOI-YKSBVNFPSA-N 1 0 410.558 4.423 50 0 HIAARO Cc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1 ZINC000014977009 558689689 /nfs/dbraw/zinc/68/96/89/558689689.db2.gz WNKGAYFKFXPPMX-UHFFFAOYSA-N 1 0 404.489 4.442 50 0 HIAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)c(C)o2)cc1 ZINC000014980735 558691114 /nfs/dbraw/zinc/69/11/14/558691114.db2.gz WSQQSOQXVGPWHW-HXUWFJFHSA-N 1 0 408.502 4.078 50 0 HIAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCN2CCOCC2)cc1 ZINC000028427661 558700640 /nfs/dbraw/zinc/70/06/40/558700640.db2.gz ROELMDQKLBLUTE-UHFFFAOYSA-N 1 0 409.357 4.303 50 0 HIAARO O=C(C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCC2)NCCc1ccc(F)cc1 ZINC000028658902 558703163 /nfs/dbraw/zinc/70/31/63/558703163.db2.gz LNHPWWZOUUDHDW-XMMPIXPASA-N 1 0 408.542 4.414 50 0 HIAARO Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015063882 558706359 /nfs/dbraw/zinc/70/63/59/558706359.db2.gz ILJDAMXHMCULGG-FQEVSTJZSA-N 1 0 412.965 4.467 50 0 HIAARO C[C@H](Cc1ccccn1)[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000015065511 558708391 /nfs/dbraw/zinc/70/83/91/558708391.db2.gz VLCWFWDHUCJPKU-HXUWFJFHSA-N 1 0 407.558 4.182 50 0 HIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCc1ccccc1 ZINC000015066863 558709922 /nfs/dbraw/zinc/70/99/22/558709922.db2.gz PGKNRVJBTYOQBV-UHFFFAOYSA-N 1 0 412.549 4.146 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)cc1CO ZINC000015075283 558715766 /nfs/dbraw/zinc/71/57/66/558715766.db2.gz JRBDLCTVCPPVCR-QGZVFWFLSA-N 1 0 417.933 4.335 50 0 HIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000015080181 558718786 /nfs/dbraw/zinc/71/87/86/558718786.db2.gz WPRFCXGUCIRKHE-SIKLNZKXSA-N 1 0 418.566 4.173 50 0 HIAARO CCC[NH+]1CCN(CCCNc2nc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000022937864 558726042 /nfs/dbraw/zinc/72/60/42/558726042.db2.gz CGOHCWJXPXFTKV-UHFFFAOYSA-N 1 0 419.573 4.135 50 0 HIAARO CC[NH+]1CCN(CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000022937871 558726086 /nfs/dbraw/zinc/72/60/86/558726086.db2.gz UZJZRJZFGLGAHZ-UHFFFAOYSA-N 1 0 409.965 4.390 50 0 HIAARO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000033087228 558760505 /nfs/dbraw/zinc/76/05/05/558760505.db2.gz TYZVUHCQOHOJPD-OAQYLSRUSA-N 1 0 412.530 4.075 50 0 HIAARO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004580655 558766726 /nfs/dbraw/zinc/76/67/26/558766726.db2.gz DXKPGAVUKLTUGB-UHFFFAOYSA-N 1 0 416.631 4.259 50 0 HIAARO COc1cc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC ZINC000002128295 558776359 /nfs/dbraw/zinc/77/63/59/558776359.db2.gz RFBJIEKVFJMQBE-UHFFFAOYSA-N 1 0 413.514 4.085 50 0 HIAARO CN(Cc1cc[nH]n1)C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000039447433 558821476 /nfs/dbraw/zinc/82/14/76/558821476.db2.gz FGLJELMGJJAHSP-UHFFFAOYSA-N 1 0 416.953 4.121 50 0 HIAARO C[NH+]1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 ZINC000068205235 558862759 /nfs/dbraw/zinc/86/27/59/558862759.db2.gz MHXGEROHKGDZGO-UHFFFAOYSA-N 1 0 405.424 4.049 50 0 in-man HIAARO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1CCCc1ccccc1 ZINC000019301076 558866564 /nfs/dbraw/zinc/86/65/64/558866564.db2.gz KAGRLDWQDPNAME-QHCPKHFHSA-N 1 0 421.610 4.312 50 0 HIAARO CSc1ncc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000055255301 558877764 /nfs/dbraw/zinc/87/77/64/558877764.db2.gz HQYOSGNFNOBBFF-UHFFFAOYSA-N 1 0 411.619 4.250 50 0 HIAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(C)cc4)c(C)c32)CC1 ZINC000033048432 558885871 /nfs/dbraw/zinc/88/58/71/558885871.db2.gz TURKUIZNHKZLNE-UHFFFAOYSA-N 1 0 409.559 4.092 50 0 HIAARO O=C(Cc1ccccc1)Nc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000057993783 558893285 /nfs/dbraw/zinc/89/32/85/558893285.db2.gz YUTPAQYPCTYDPZ-FQEVSTJZSA-N 1 0 424.520 4.099 50 0 HIAARO CCCN(C(=O)NCc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058186142 558910454 /nfs/dbraw/zinc/91/04/54/558910454.db2.gz KBCHONFEMMZWFT-NRFANRHFSA-N 1 0 409.530 4.002 50 0 HIAARO O=C(CSc1ccc2ccccc2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004707609 558913873 /nfs/dbraw/zinc/91/38/73/558913873.db2.gz MRQQVVPHEAWHFJ-UHFFFAOYSA-N 1 0 421.610 4.440 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(F)cc1Br ZINC000058249142 558914934 /nfs/dbraw/zinc/91/49/34/558914934.db2.gz PKNBELAWONWKJK-AWEZNQCLSA-N 1 0 400.336 4.042 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000058393447 558923668 /nfs/dbraw/zinc/92/36/68/558923668.db2.gz LQCQJEGWKJNJNL-UHFFFAOYSA-N 1 0 410.411 4.161 50 0 HIAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC000072117458 558927289 /nfs/dbraw/zinc/92/72/89/558927289.db2.gz ULWWBQZGGPVJJT-UHFFFAOYSA-N 1 0 404.518 4.162 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261057 558927656 /nfs/dbraw/zinc/92/76/56/558927656.db2.gz CVDCGZAKUHEVAU-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO Cc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065363809 558974931 /nfs/dbraw/zinc/97/49/31/558974931.db2.gz ZBWNHAFIPFEWCP-UHFFFAOYSA-N 1 0 413.953 4.145 50 0 HIAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000065365678 558976556 /nfs/dbraw/zinc/97/65/56/558976556.db2.gz QRQDEUNQRIRTHF-LJQANCHMSA-N 1 0 402.922 4.330 50 0 HIAARO COc1ccc(-n2cc(CN3CC[C@H]([NH+](C)C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072424674 558978946 /nfs/dbraw/zinc/97/89/46/558978946.db2.gz BOFBVHZQVDJIRZ-IBGZPJMESA-N 1 0 410.949 4.337 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H](CO)C2)cc1OC ZINC000072463791 558983383 /nfs/dbraw/zinc/98/33/83/558983383.db2.gz CYQIDQYKDHZTMC-SFHVURJKSA-N 1 0 406.526 4.432 50 0 HIAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000067542000 558987161 /nfs/dbraw/zinc/98/71/61/558987161.db2.gz LAAYOIOHAJQOOA-FQEVSTJZSA-N 1 0 405.542 4.211 50 0 HIAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000067542007 558987190 /nfs/dbraw/zinc/98/71/90/558987190.db2.gz LAAYOIOHAJQOOA-HXUWFJFHSA-N 1 0 405.542 4.211 50 0 HIAARO COc1ccc(-c2nc(C)c(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)s2)cc1OC ZINC000011422882 559075678 /nfs/dbraw/zinc/07/56/78/559075678.db2.gz RGBWPTMYSCFJIW-UHFFFAOYSA-N 1 0 417.575 4.175 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccc[nH]2)CC1 ZINC000095503283 559082692 /nfs/dbraw/zinc/08/26/92/559082692.db2.gz DDPUOKIPOJRNTF-UHFFFAOYSA-N 1 0 402.542 4.273 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000023305776 559102145 /nfs/dbraw/zinc/10/21/45/559102145.db2.gz WMJNIQBANWAULA-UHFFFAOYSA-N 1 0 406.530 4.214 50 0 HIAARO N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000004817100 559115239 /nfs/dbraw/zinc/11/52/39/559115239.db2.gz DMLJGAWKRFYLFK-FQEVSTJZSA-N 1 0 419.356 4.058 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000004909576 559201492 /nfs/dbraw/zinc/20/14/92/559201492.db2.gz ZBFZRHMNASCPJB-UHFFFAOYSA-N 1 0 422.529 4.067 50 0 HIAARO Oc1c2c(-c3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccccc1Cl ZINC000100735061 559260763 /nfs/dbraw/zinc/26/07/63/559260763.db2.gz AMUMQYGPZWXRAT-CTNGQTDRSA-N 1 0 401.853 4.123 50 0 HIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)o1 ZINC000011950256 559268919 /nfs/dbraw/zinc/26/89/19/559268919.db2.gz PBFJBJZIKJOTPG-KRWDZBQOSA-N 1 0 407.518 4.263 50 0 HIAARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)CC1 ZINC000061992890 560568813 /nfs/dbraw/zinc/56/88/13/560568813.db2.gz WPMSKGJSKVLMAS-RFRNZTGYSA-N 1 0 424.585 4.276 50 0 HIAARO Cc1cc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2ccco2)ccc1Cl ZINC000101214554 560790009 /nfs/dbraw/zinc/79/00/09/560790009.db2.gz YEOGEQBUEZXOEU-UHFFFAOYSA-N 1 0 421.010 4.078 50 0 HIAARO CCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697446 568415468 /nfs/dbraw/zinc/41/54/68/568415468.db2.gz RWPNGLFOUGEQOZ-VWLOTQADSA-N 1 0 417.553 4.321 50 0 HIAARO COc1ccc(CNCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1OC ZINC000047778183 568431216 /nfs/dbraw/zinc/43/12/16/568431216.db2.gz ZXLRCTJXPOCDSK-KDURUIRLSA-N 1 0 412.574 4.480 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)no1 ZINC000048237099 568433058 /nfs/dbraw/zinc/43/30/58/568433058.db2.gz OYKOQNQRDUWILC-INIZCTEOSA-N 1 0 402.564 4.055 50 0 HIAARO CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000049421019 568450409 /nfs/dbraw/zinc/45/04/09/568450409.db2.gz YQBLYEZDDAEWGS-JOCHJYFZSA-N 1 0 416.525 4.101 50 0 HIAARO CCCCOc1c(Cl)cc(C(=O)N2CCOC23CC[NH+](C)CC3)cc1Cl ZINC000012322732 568471123 /nfs/dbraw/zinc/47/11/23/568471123.db2.gz QKOAJRVENVALLM-UHFFFAOYSA-N 1 0 401.334 4.067 50 0 HIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(Cl)(Cl)Cl ZINC000055531409 568489063 /nfs/dbraw/zinc/48/90/63/568489063.db2.gz NSRXKTVIHNDMJX-UHFFFAOYSA-N 1 0 412.748 4.318 50 0 HIAARO c1ccc(Cc2nnc3n2CC[N@@H+](Cc2ccc4c(c2)Cc2ccccc2-4)CC3)cc1 ZINC000014980371 568580605 /nfs/dbraw/zinc/58/06/05/568580605.db2.gz OMLXQNNMEJWZQS-UHFFFAOYSA-N 1 0 406.533 4.498 50 0 HIAARO O[C@H](CSc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385166 568603010 /nfs/dbraw/zinc/60/30/10/568603010.db2.gz YYILJCASTDQTHM-INIZCTEOSA-N 1 0 415.361 4.408 50 0 HIAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000095393364 568604224 /nfs/dbraw/zinc/60/42/24/568604224.db2.gz VRSLJJMQJJJELN-UXHICEINSA-N 1 0 405.380 4.323 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446460 568612025 /nfs/dbraw/zinc/61/20/25/568612025.db2.gz UGZJUICQOFVDAB-RTWAWAEBSA-N 1 0 407.002 4.449 50 0 HIAARO CC(C)[N@H+](Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1)C[C@@H]1CCCCO1 ZINC000095460781 568620397 /nfs/dbraw/zinc/62/03/97/568620397.db2.gz SKYWECYRVLCIIV-UGKGYDQZSA-N 1 0 419.610 4.385 50 0 HIAARO CC1=C(C(=O)Nc2cc(Cl)ccc2C)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000020531711 568627369 /nfs/dbraw/zinc/62/73/69/568627369.db2.gz XITIJUOIRWXRPV-UHFFFAOYSA-N 1 0 424.928 4.495 50 0 HIAARO CCCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2CC ZINC000020678096 568639932 /nfs/dbraw/zinc/63/99/32/568639932.db2.gz NXZAPEXKIJGYHD-UHFFFAOYSA-N 1 0 419.573 4.113 50 0 HIAARO CCCC[N@H+](CC)CCNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000020933740 568652141 /nfs/dbraw/zinc/65/21/41/568652141.db2.gz MDFVCSGBTGCAMO-UHFFFAOYSA-N 1 0 407.562 4.132 50 0 HIAARO N=c1n(CC[NH+]2CCCC2)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000858798 568713365 /nfs/dbraw/zinc/71/33/65/568713365.db2.gz UOHZNIMAYVBTQV-UHFFFAOYSA-N 1 0 417.340 4.208 50 0 HIAARO Fc1cccc(Cl)c1Cn1nc(C[NH2+]C[C@H]2CCCO2)c(-c2ccccc2)n1 ZINC000247510456 568745413 /nfs/dbraw/zinc/74/54/13/568745413.db2.gz IFEIXZQRDWHBHT-MRXNPFEDSA-N 1 0 400.885 4.055 50 0 HIAARO Cc1ccc(Cn2nc(C[NH2+]CCCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492453 568820350 /nfs/dbraw/zinc/82/03/50/568820350.db2.gz XULRCRJZCNPGOW-UHFFFAOYSA-N 1 0 413.525 4.256 50 0 HIAARO CC1(C)CC(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC(C)(C)[NH2+]1 ZINC000012520422 568841168 /nfs/dbraw/zinc/84/11/68/568841168.db2.gz OYMKSKUOHOOVOJ-UHFFFAOYSA-N 1 0 420.557 4.041 50 0 HIAARO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)oc12 ZINC000057585939 568854503 /nfs/dbraw/zinc/85/45/03/568854503.db2.gz RPRHNNOSXAOCON-LJQANCHMSA-N 1 0 407.466 4.305 50 0 HIAARO COc1ccc([N+]2=C3CCc4ccccc4N3C[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000003185594 568860384 /nfs/dbraw/zinc/86/03/84/568860384.db2.gz PXBZVFCIGOYDFW-VWLOTQADSA-N 1 0 401.486 4.058 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(OC(F)F)cc3)cc2C)CC1 ZINC000057861549 568864219 /nfs/dbraw/zinc/86/42/19/568864219.db2.gz GGCQJZPRIVLPRG-UHFFFAOYSA-N 1 0 418.488 4.060 50 0 HIAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)N(C)C)cc1 ZINC000030545142 568870235 /nfs/dbraw/zinc/87/02/35/568870235.db2.gz ZALHEHZIFIPABH-QHCPKHFHSA-N 1 0 421.541 4.070 50 0 HIAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000299784230 568875312 /nfs/dbraw/zinc/87/53/12/568875312.db2.gz IEYWIRPJMVIANU-CYBMUJFWSA-N 1 0 405.880 4.430 50 0 HIAARO COc1ccc(C[NH+]2CCC(NC(=O)C[C@H](c3ccsc3)n3cccc3)CC2)cc1 ZINC000263588328 568883689 /nfs/dbraw/zinc/88/36/89/568883689.db2.gz RXDOJCHBLAFJJT-HSZRJFAPSA-N 1 0 423.582 4.319 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1)c1ccccc1F ZINC000052827964 568907923 /nfs/dbraw/zinc/90/79/23/568907923.db2.gz XJRLQTJZEJQBTI-UHFFFAOYSA-N 1 0 410.411 4.161 50 0 HIAARO COc1ccc([C@H](CNC(=O)c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000003534475 568913380 /nfs/dbraw/zinc/91/33/80/568913380.db2.gz PLEAOWQHDZYLCN-HNNXBMFYSA-N 1 0 409.349 4.086 50 0 HIAARO COc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)cc1 ZINC000004086872 568940459 /nfs/dbraw/zinc/94/04/59/568940459.db2.gz PAXVIUPJWNHSMX-OAQYLSRUSA-N 1 0 416.339 4.108 50 0 HIAARO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000084575160 568951079 /nfs/dbraw/zinc/95/10/79/568951079.db2.gz OGEIETAHRBHVJW-HNNXBMFYSA-N 1 0 422.978 4.231 50 0 HIAARO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1 ZINC000012777022 568955310 /nfs/dbraw/zinc/95/53/10/568955310.db2.gz SUEHXOJMSCJQQE-GFCCVEGCSA-N 1 0 423.826 4.229 50 0 HIAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000084796792 568959915 /nfs/dbraw/zinc/95/99/15/568959915.db2.gz KDMFTCWVQOPSIK-MRXNPFEDSA-N 1 0 411.329 4.216 50 0 HIAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1F)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004275299 568962402 /nfs/dbraw/zinc/96/24/02/568962402.db2.gz LBAOBQIXRPYYPR-UHFFFAOYSA-N 1 0 404.507 4.476 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681521 568968089 /nfs/dbraw/zinc/96/80/89/568968089.db2.gz UEFAFVLTFOGOSS-HXUWFJFHSA-N 1 0 423.536 4.187 50 0 HIAARO O=C(Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)c1ccco1 ZINC000008012608 568968418 /nfs/dbraw/zinc/96/84/18/568968418.db2.gz WOXRMMOZQIYCRH-UHFFFAOYSA-N 1 0 403.482 4.058 50 0 HIAARO O=C(Nc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1)c1cccs1 ZINC000008040172 568970471 /nfs/dbraw/zinc/97/04/71/568970471.db2.gz GFKWEQGPGWYPAU-GOSISDBHSA-N 1 0 409.511 4.160 50 0 HIAARO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000008188068 568980713 /nfs/dbraw/zinc/98/07/13/568980713.db2.gz IDVCDIOODFOVGB-QHCPKHFHSA-N 1 0 419.521 4.404 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000008373798 568995751 /nfs/dbraw/zinc/99/57/51/568995751.db2.gz SHMVUPNTJPRUSU-LJQANCHMSA-N 1 0 414.864 4.082 50 0 HIAARO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCC(O)CC2)cc1OC ZINC000008395464 568999421 /nfs/dbraw/zinc/99/94/21/568999421.db2.gz DKNHDWXGJIBDRJ-UHFFFAOYSA-N 1 0 421.541 4.009 50 0 HIAARO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012821603 569005820 /nfs/dbraw/zinc/00/58/20/569005820.db2.gz KBKCUGBSLGEOAL-QFIPXVFZSA-N 1 0 404.510 4.041 50 0 HIAARO C[C@H](c1nccs1)[N@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000019939270 569008005 /nfs/dbraw/zinc/00/80/05/569008005.db2.gz OMPLDYHNBNZCLJ-HIFRSBDPSA-N 1 0 421.950 4.099 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccccc1)=N2 ZINC000035372778 569033806 /nfs/dbraw/zinc/03/38/06/569033806.db2.gz FEPOCDAIGMUTMQ-UHFFFAOYSA-N 1 0 424.545 4.211 50 0 HIAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)cc1C ZINC000035372576 569033872 /nfs/dbraw/zinc/03/38/72/569033872.db2.gz KDXPRUAWQFVPDJ-UHFFFAOYSA-N 1 0 420.582 4.298 50 0 HIAARO Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(F)cc1 ZINC000035372495 569033882 /nfs/dbraw/zinc/03/38/82/569033882.db2.gz LSVADVCHYSCZHG-UHFFFAOYSA-N 1 0 424.545 4.129 50 0 HIAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000035372508 569033916 /nfs/dbraw/zinc/03/39/16/569033916.db2.gz KRWNZYPRCUSIFW-UHFFFAOYSA-N 1 0 420.582 4.298 50 0 HIAARO Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000035447463 569037378 /nfs/dbraw/zinc/03/73/78/569037378.db2.gz PZDZDVCXDKALOA-HSZRJFAPSA-N 1 0 419.569 4.472 50 0 HIAARO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000229901311 569040696 /nfs/dbraw/zinc/04/06/96/569040696.db2.gz SUTCPEASIKLNNV-YADARESESA-N 1 0 407.558 4.203 50 0 HIAARO O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000013003220 569049273 /nfs/dbraw/zinc/04/92/73/569049273.db2.gz CMZJVVGEKGXBPC-NRFANRHFSA-N 1 0 407.489 4.367 50 0 HIAARO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@H](C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000245256829 569055526 /nfs/dbraw/zinc/05/55/26/569055526.db2.gz UATZSLNVTLOJRD-DNZIZEQUSA-N 1 0 422.528 4.471 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000248080449 569057571 /nfs/dbraw/zinc/05/75/71/569057571.db2.gz PIVDIKKSTPKCDY-SJLPKXTDSA-N 1 0 406.555 4.252 50 0 HIAARO CCc1nc(C)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1ccc(C)cc1 ZINC000035769218 569058003 /nfs/dbraw/zinc/05/80/03/569058003.db2.gz IHPXRLZBYZRJBG-UHFFFAOYSA-N 1 0 420.582 4.271 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000064472986 569063720 /nfs/dbraw/zinc/06/37/20/569063720.db2.gz GEWKUFZTAYLDNS-UHFFFAOYSA-N 1 0 407.493 4.098 50 0 HIAARO O[C@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1F ZINC000006587261 569067845 /nfs/dbraw/zinc/06/78/45/569067845.db2.gz IRKNYYFMXHQFLF-CTNGQTDRSA-N 1 0 404.485 4.468 50 0 HIAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC[NH+](C)C)occ3-c1ccccc1 ZINC000006623854 569075327 /nfs/dbraw/zinc/07/53/27/569075327.db2.gz BNAKVKWYUPZUKP-UHFFFAOYSA-N 1 0 418.493 4.125 50 0 biogenic HIAARO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)N[C@H](C)c3ccccc3)CC1)cn2C ZINC000064669659 569078916 /nfs/dbraw/zinc/07/89/16/569078916.db2.gz CXZBDJOOLJZHRL-GOSISDBHSA-N 1 0 405.542 4.276 50 0 HIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1 ZINC000036031689 569081128 /nfs/dbraw/zinc/08/11/28/569081128.db2.gz JQKMAGVQKHMHHG-HSZRJFAPSA-N 1 0 419.521 4.474 50 0 HIAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccc(Cl)cc2)c1OC ZINC000036097085 569090198 /nfs/dbraw/zinc/09/01/98/569090198.db2.gz DMGAYWFIYWYLHN-LJQANCHMSA-N 1 0 407.938 4.255 50 0 HIAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102561 569092163 /nfs/dbraw/zinc/09/21/63/569092163.db2.gz PLRGXONPWBMMOV-HSZRJFAPSA-N 1 0 423.484 4.134 50 0 HIAARO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)C1 ZINC000036145790 569098421 /nfs/dbraw/zinc/09/84/21/569098421.db2.gz HVICNLVSWQTVTE-VXKWHMMOSA-N 1 0 410.558 4.166 50 0 HIAARO COc1ccc(-c2cc3ccc(OCC[NH+]4CCCCC4)cc3oc2=O)cc1OC ZINC000006759890 569113325 /nfs/dbraw/zinc/11/33/25/569113325.db2.gz HBIPYHYHBJHLCM-UHFFFAOYSA-N 1 0 409.482 4.342 50 0 HIAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169681692 569127781 /nfs/dbraw/zinc/12/77/81/569127781.db2.gz INDFLJYLRAFLOD-VQIMIIECSA-N 1 0 407.938 4.398 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806253 569131024 /nfs/dbraw/zinc/13/10/24/569131024.db2.gz AUNXTAQLWGQECH-KRWDZBQOSA-N 1 0 400.592 4.281 50 0 HIAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccco1 ZINC000036312650 569132863 /nfs/dbraw/zinc/13/28/63/569132863.db2.gz HATBXLOOHMOSBD-UHFFFAOYSA-N 1 0 422.529 4.129 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036341307 569141771 /nfs/dbraw/zinc/14/17/71/569141771.db2.gz NSGXJPKMGLXRMG-QHCPKHFHSA-N 1 0 409.505 4.244 50 0 HIAARO Cc1ccc2onc(CNC(=O)NCCC[N@H+](Cc3ccco3)C3CCCC3)c2c1 ZINC000006866270 569159142 /nfs/dbraw/zinc/15/91/42/569159142.db2.gz UASDOJSAIPFEAA-UHFFFAOYSA-N 1 0 410.518 4.363 50 0 HIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C(=O)c1cccn1Cc1ccccc1 ZINC000065084225 569173871 /nfs/dbraw/zinc/17/38/71/569173871.db2.gz YQPGVXOXAZYTMR-UHFFFAOYSA-N 1 0 401.510 4.344 50 0 HIAARO CCCn1ccc2sc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1=O ZINC000065230168 569200656 /nfs/dbraw/zinc/20/06/56/569200656.db2.gz NMYWYUHKXZIGAS-UHFFFAOYSA-N 1 0 423.582 4.176 50 0 HIAARO Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 ZINC000065256969 569208495 /nfs/dbraw/zinc/20/84/95/569208495.db2.gz ABXJDKOPZRUSGL-JOCHJYFZSA-N 1 0 404.489 4.150 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccc(OC)cc1)N2 ZINC000065298550 569219389 /nfs/dbraw/zinc/21/93/89/569219389.db2.gz LWJJPQPHSXMDHD-HXUWFJFHSA-N 1 0 413.949 4.390 50 0 HIAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1OC(F)F ZINC000089977224 569270479 /nfs/dbraw/zinc/27/04/79/569270479.db2.gz NGAKBUJBRNDUCK-IBGZPJMESA-N 1 0 418.484 4.049 50 0 HIAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCCCC2)cc1 ZINC000017041134 569272231 /nfs/dbraw/zinc/27/22/31/569272231.db2.gz XTITWAMKPNUDPX-DEOSSOPVSA-N 1 0 403.526 4.189 50 0 HIAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCCCC2)cc1 ZINC000017041117 569272272 /nfs/dbraw/zinc/27/22/72/569272272.db2.gz VSSNFSSMJUEYSV-XMMPIXPASA-N 1 0 403.526 4.189 50 0 HIAARO COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000252444209 569286048 /nfs/dbraw/zinc/28/60/48/569286048.db2.gz ROQBXNNDLPFNFX-XFQAVAEZSA-N 1 0 400.494 4.246 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000002254981 569326198 /nfs/dbraw/zinc/32/61/98/569326198.db2.gz GGAYEZTVSYHTDS-UHFFFAOYSA-N 1 0 421.541 4.381 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)CCCNC(=O)c1ccsc1)c1ccccc1Cl ZINC000027579032 569375345 /nfs/dbraw/zinc/37/53/45/569375345.db2.gz SZGAPSRNPVKZMZ-LJQANCHMSA-N 1 0 421.994 4.111 50 0 HIAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SC[C@@H]1CCCOC1)C(C)C ZINC000079109731 569427977 /nfs/dbraw/zinc/42/79/77/569427977.db2.gz IKOWDDBINQMWIN-GOSISDBHSA-N 1 0 403.592 4.034 50 0 HIAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCC(C)CC2)n3C)cc1 ZINC000008624264 571096726 /nfs/dbraw/zinc/09/67/26/571096726.db2.gz CWAOFVPMZVLPDA-UHFFFAOYSA-N 1 0 420.557 4.174 50 0 HIAARO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040121141 571177234 /nfs/dbraw/zinc/17/72/34/571177234.db2.gz AZBREDONCAPHHH-HXUWFJFHSA-N 1 0 406.461 4.409 50 0 HIAARO Cc1nc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)ccc2n1-c1ccccc1 ZINC000009378367 571253271 /nfs/dbraw/zinc/25/32/71/571253271.db2.gz OMYGRHPEFNCMNZ-HSZRJFAPSA-N 1 0 414.509 4.494 50 0 HIAARO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000010207787 571296536 /nfs/dbraw/zinc/29/65/36/571296536.db2.gz BLPADOOLSHGIEF-UHFFFAOYSA-N 1 0 423.601 4.012 50 0 HIAARO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000034725834 571316375 /nfs/dbraw/zinc/31/63/75/571316375.db2.gz PNVVCAMWUUSNIZ-UHFFFAOYSA-N 1 0 414.553 4.403 50 0 HIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)o1 ZINC000011719232 845828955 /nfs/dbraw/zinc/82/89/55/845828955.db2.gz GZSJREHDUDABJT-QGZVFWFLSA-N 1 0 411.527 4.400 50 0 HIAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1C)CC2 ZINC000011813257 845836108 /nfs/dbraw/zinc/83/61/08/845836108.db2.gz CPGJEYVELALSCD-HSZRJFAPSA-N 1 0 406.570 4.273 50 0 HIAARO Cc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1C ZINC000011841426 845838173 /nfs/dbraw/zinc/83/81/73/845838173.db2.gz RLZCOEORTJMDIJ-HSZRJFAPSA-N 1 0 411.571 4.088 50 0 HIAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H]([NH2+]CCC1=CCCCC1)CC3 ZINC000011980983 845845493 /nfs/dbraw/zinc/84/54/93/845845493.db2.gz AFYSAGJTUVURNN-SFHVURJKSA-N 1 0 420.582 4.239 50 0 HIAARO O=C(c1ccsc1)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000012207685 845859934 /nfs/dbraw/zinc/85/99/34/845859934.db2.gz ZJQZMQKRSSOWIH-UHFFFAOYSA-N 1 0 404.535 4.341 50 0 HIAARO NC(=O)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012387596 845869240 /nfs/dbraw/zinc/86/92/40/845869240.db2.gz BFRNIDNIZVEICU-UHFFFAOYSA-N 1 0 414.509 4.042 50 0 HIAARO Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)oc1C ZINC000012431827 845869997 /nfs/dbraw/zinc/86/99/97/845869997.db2.gz VUBQILGVBXLZGK-XMMPIXPASA-N 1 0 423.601 4.233 50 0 HIAARO CCC1(CC)C[C@H]1C(=O)N(CCOC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012580527 845876984 /nfs/dbraw/zinc/87/69/84/845876984.db2.gz GXAVJDQMMUANMU-NRFANRHFSA-N 1 0 404.570 4.339 50 0 HIAARO Cc1c(C(=O)N[C@@H](C)c2ccccc2Cl)sc2ncnc(NCC[NH+](C)C)c12 ZINC000014958930 845994699 /nfs/dbraw/zinc/99/46/99/845994699.db2.gz VSDIDGYSSAJHHS-ZDUSSCGKSA-N 1 0 417.966 4.118 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000015003327 845999042 /nfs/dbraw/zinc/99/90/42/845999042.db2.gz LZICRJOZWCBDRV-GOSISDBHSA-N 1 0 421.463 4.088 50 0 HIAARO O=C(Nc1cccc(N2CCC([NH2+]CCn3ccc4ccccc43)CC2)c1)C1CC1 ZINC000015067032 846005534 /nfs/dbraw/zinc/00/55/34/846005534.db2.gz NQZUMXSILJXSEE-UHFFFAOYSA-N 1 0 402.542 4.248 50 0 HIAARO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020255020 846381867 /nfs/dbraw/zinc/38/18/67/846381867.db2.gz AZOCSDFLSHTEPP-FQEVSTJZSA-N 1 0 406.505 4.046 50 0 HIAARO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020255016 846382540 /nfs/dbraw/zinc/38/25/40/846382540.db2.gz AZOCSDFLSHTEPP-HXUWFJFHSA-N 1 0 406.505 4.046 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](O)CCc3ccccc3)CC2)c(F)c1 ZINC000023339826 846686391 /nfs/dbraw/zinc/68/63/91/846686391.db2.gz HQWRGPGUEZPOJY-XMMPIXPASA-N 1 0 423.532 4.430 50 0 HIAARO CCN(Cc1cnc(SC)nc1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000055199195 849985918 /nfs/dbraw/zinc/98/59/18/849985918.db2.gz UVPAGHIBXDSTGC-IBGZPJMESA-N 1 0 402.583 4.114 50 0 HIAARO O=C(Cc1ccsc1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776752 853663602 /nfs/dbraw/zinc/66/36/02/853663602.db2.gz MKWXUSGPQJPASB-HSZRJFAPSA-N 1 0 424.610 4.495 50 0 HIAARO O=C(Cc1cccnc1)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000169786987 853664547 /nfs/dbraw/zinc/66/45/47/853664547.db2.gz QJCFNHZDJKUFSN-DEOSSOPVSA-N 1 0 404.558 4.018 50 0 HIAARO COc1ccc(C(=O)N2CCC([N@@H+]3CC4(CCCC4)[C@@H]3c3ccccc3)CC2)cn1 ZINC000169791403 853664677 /nfs/dbraw/zinc/66/46/77/853664677.db2.gz GKXMTCSMLHRNHF-QHCPKHFHSA-N 1 0 405.542 4.312 50 0 HIAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C[C@H]1C ZINC000252672271 854205037 /nfs/dbraw/zinc/20/50/37/854205037.db2.gz PTPCKBINVHXRKO-OVPJMRJESA-N 1 0 413.587 4.331 50 0 HIAARO c1cn2c(n1)[C@@H](C1CC[NH+](Cc3ccccc3)CC1)N(Cc1cccnc1)CCC2 ZINC000257177276 854232848 /nfs/dbraw/zinc/23/28/48/854232848.db2.gz WHTCFTUZRVRDPC-XMMPIXPASA-N 1 0 401.558 4.137 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575547941 948676848 /nfs/dbraw/zinc/67/68/48/948676848.db2.gz AQCZNZUJYDZMTN-NRFANRHFSA-N 1 0 420.557 4.363 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000003553022 132266817 /nfs/dbraw/zinc/26/68/17/132266817.db2.gz LXOKADSIRGSMDG-UHFFFAOYSA-N 1 0 408.727 4.107 50 0 HIAARO Cc1cccc(N2CCN(c3c4ccccc4oc(=O)c3C[NH+]3CCCC3)CC2)c1C ZINC000007504106 132324838 /nfs/dbraw/zinc/32/48/38/132324838.db2.gz RRNGWDBPIPZAJE-UHFFFAOYSA-N 1 0 417.553 4.332 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3cccs3)cc2)CC1 ZINC000008723508 132332494 /nfs/dbraw/zinc/33/24/94/132332494.db2.gz BTRPCIXTRPEXRJ-UHFFFAOYSA-N 1 0 419.550 4.373 50 0 HIAARO Cc1nonc1C[NH2+]C1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000011786550 132350548 /nfs/dbraw/zinc/35/05/48/132350548.db2.gz NBUVDJSEAUYQDM-UHFFFAOYSA-N 1 0 419.529 4.006 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCSc3ccc(F)c(F)c3)cc2)CC1 ZINC000011950824 132352575 /nfs/dbraw/zinc/35/25/75/132352575.db2.gz ZSVXQKOFJMZGQA-UHFFFAOYSA-N 1 0 405.514 4.228 50 0 HIAARO C[C@H](Cc1cncs1)[NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000011982848 132352796 /nfs/dbraw/zinc/35/27/96/132352796.db2.gz WRXYAIDBZGETFO-QGZVFWFLSA-N 1 0 412.603 4.461 50 0 HIAARO COc1cccc(C[NH2+]C2CCN(c3nc(C)c4cc5c(cc4n3)CCC5)CC2)c1 ZINC000012192966 132356358 /nfs/dbraw/zinc/35/63/58/132356358.db2.gz XZHNHIPDQCYSPX-UHFFFAOYSA-N 1 0 402.542 4.194 50 0 HIAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000012298195 132358176 /nfs/dbraw/zinc/35/81/76/132358176.db2.gz LYTVLXQXRIKCPF-HSZRJFAPSA-N 1 0 420.601 4.039 50 0 HIAARO CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000040729973 519777539 /nfs/dbraw/zinc/77/75/39/519777539.db2.gz YCNGDGMBNZKAND-CYBMUJFWSA-N 1 0 407.146 4.267 50 0 HIAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000040721918 519782126 /nfs/dbraw/zinc/78/21/26/519782126.db2.gz DMQRHVWFWKOHHS-UHFFFAOYSA-N 1 0 419.554 4.485 50 0 HIAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000022877096 519857643 /nfs/dbraw/zinc/85/76/43/519857643.db2.gz DHUJQRUWHSGQKB-UHFFFAOYSA-N 1 0 408.571 4.238 50 0 HIAARO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000040744891 520711444 /nfs/dbraw/zinc/71/14/44/520711444.db2.gz SQRNFQMRUNLZAN-UHFFFAOYSA-N 1 0 412.299 4.038 50 0 HIAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1C ZINC000040720849 520714436 /nfs/dbraw/zinc/71/44/36/520714436.db2.gz XKXFPYRCPKWFBM-UHFFFAOYSA-N 1 0 418.965 4.048 50 0 HIAARO CCc1cc2c(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2cc1O ZINC000032759544 523845303 /nfs/dbraw/zinc/84/53/03/523845303.db2.gz LHXXAYYJVVEAFD-DEOSSOPVSA-N 1 0 409.482 4.319 50 0 HIAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)CCc3ccc(Cl)cc3)CC2)c1 ZINC000032915296 524555426 /nfs/dbraw/zinc/55/54/26/524555426.db2.gz FRUAIWFIXBBKOD-UHFFFAOYSA-N 1 0 413.993 4.300 50 0 HIAARO C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1=O ZINC000032894180 525067083 /nfs/dbraw/zinc/06/70/83/525067083.db2.gz VOUOYLZZRYSLEI-GOSISDBHSA-N 1 0 421.541 4.204 50 0 HIAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000044507322 525141128 /nfs/dbraw/zinc/14/11/28/525141128.db2.gz LQGKVPRGZKLKMH-UHFFFAOYSA-N 1 0 415.537 4.317 50 0 HIAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)N2CCCC2)cc1 ZINC000025357956 525186791 /nfs/dbraw/zinc/18/67/91/525186791.db2.gz OJNFZHHASJBBPG-HXUWFJFHSA-N 1 0 419.363 4.393 50 0 HIAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000032899646 525476405 /nfs/dbraw/zinc/47/64/05/525476405.db2.gz UMGKXKDMRMOBMO-UYAOXDASSA-N 1 0 421.493 4.341 50 0 HIAARO COc1cccc(-c2nc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)c1 ZINC000032095731 525723298 /nfs/dbraw/zinc/72/32/98/525723298.db2.gz RDMGSGULCRNJGD-UHFFFAOYSA-N 1 0 421.566 4.142 50 0 HIAARO COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCc1c(F)cccc1Cl ZINC000040722483 526013022 /nfs/dbraw/zinc/01/30/22/526013022.db2.gz FLCPOELYQLYSTA-UHFFFAOYSA-N 1 0 420.912 4.169 50 0 HIAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734663 526023013 /nfs/dbraw/zinc/02/30/13/526023013.db2.gz HLMFJGSWMCFYER-UHFFFAOYSA-N 1 0 408.473 4.450 50 0 HIAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCN2CCOCC2)c(Cl)c1 ZINC000040720893 526343114 /nfs/dbraw/zinc/34/31/14/526343114.db2.gz HFZROWQTJDEETO-UHFFFAOYSA-N 1 0 413.320 4.133 50 0 HIAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000020599544 526413233 /nfs/dbraw/zinc/41/32/33/526413233.db2.gz QXFHZAWDESGMHL-QFIPXVFZSA-N 1 0 419.548 4.002 50 0 HIAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1cccc2ccccc21 ZINC000043953944 527213443 /nfs/dbraw/zinc/21/34/43/527213443.db2.gz KFACCKHRUNDGCE-UHFFFAOYSA-N 1 0 400.569 4.092 50 0 HIAARO OCCOCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735762 527556218 /nfs/dbraw/zinc/55/62/18/527556218.db2.gz OUHVSLPKDKSOKX-UHFFFAOYSA-N 1 0 403.881 4.310 50 0 HIAARO O[C@@H](COc1ccc(C2CCCCC2)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019901461 527659872 /nfs/dbraw/zinc/65/98/72/527659872.db2.gz QUJTVWWBSIAEKN-XMMPIXPASA-N 1 0 412.549 4.435 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908320 535566543 /nfs/dbraw/zinc/56/65/43/535566543.db2.gz HUWFSKQRTGZECK-OAQYLSRUSA-N 1 0 409.599 4.321 50 0 HIAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3Cl)cc2C)CC1 ZINC000012520727 535748067 /nfs/dbraw/zinc/74/80/67/535748067.db2.gz RUEAUTZSAPGZHY-MRXNPFEDSA-N 1 0 418.944 4.369 50 0 HIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000012383629 536495680 /nfs/dbraw/zinc/49/56/80/536495680.db2.gz FOKVRSQIASQCIA-MRXNPFEDSA-N 1 0 408.464 4.476 50 0 HIAARO COCC[NH2+]C1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1 ZINC000012040611 536893019 /nfs/dbraw/zinc/89/30/19/536893019.db2.gz OHSPVNTXFQNZAK-UHFFFAOYSA-N 1 0 409.574 4.243 50 0 HIAARO CCCC(=O)N1CCN(C[C@@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000022625492 557075348 /nfs/dbraw/zinc/07/53/48/557075348.db2.gz FAQKCYNRGYTWNS-XMMPIXPASA-N 1 0 410.558 4.206 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000002344733 557338769 /nfs/dbraw/zinc/33/87/69/557338769.db2.gz PNQPGXREAUNIAX-JOCHJYFZSA-N 1 0 404.510 4.379 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000002344730 557338831 /nfs/dbraw/zinc/33/88/31/557338831.db2.gz PNQPGXREAUNIAX-QFIPXVFZSA-N 1 0 404.510 4.379 50 0 HIAARO O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515246 557354004 /nfs/dbraw/zinc/35/40/04/557354004.db2.gz CMPCKKNIZOKHEW-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO CCc1nc2c3cc4c(nc3sc2c(OCC[NH+](CC)CC)n1)CC(C)(C)OC4 ZINC000002884367 557421285 /nfs/dbraw/zinc/42/12/85/557421285.db2.gz YAUQXFRLGJYCNG-UHFFFAOYSA-N 1 0 414.575 4.374 50 0 HIAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2ccco2)CC1 ZINC000034726028 557442699 /nfs/dbraw/zinc/44/26/99/557442699.db2.gz QXBUKEPWHISVQK-UHFFFAOYSA-N 1 0 419.525 4.301 50 0 HIAARO [NH3+]CCCCCC(=O)N(CCc1nc(-c2cccc(Cl)c2)no1)Cc1ccco1 ZINC000034904985 557473055 /nfs/dbraw/zinc/47/30/55/557473055.db2.gz KOCCYVCVIZHINW-UHFFFAOYSA-N 1 0 416.909 4.073 50 0 HIAARO CCc1ccc([C@@H]2CCc3nc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cn3C2)cc1 ZINC000034899377 557480956 /nfs/dbraw/zinc/48/09/56/557480956.db2.gz QTBRRCUHDBOEQI-DENIHFKCSA-N 1 0 410.606 4.416 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)c3n2CCC3)cc1 ZINC000004070308 557509344 /nfs/dbraw/zinc/50/93/44/557509344.db2.gz OCSYXDGHNWBLSC-QTGUNEKASA-N 1 0 411.566 4.401 50 0 HIAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]C5CCCC5)C4=O)cc3)sc2c1 ZINC000004649074 557575374 /nfs/dbraw/zinc/57/53/74/557575374.db2.gz DOWUFSWXDXXYON-LJQANCHMSA-N 1 0 405.523 4.436 50 0 HIAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1I ZINC000004664850 557578418 /nfs/dbraw/zinc/57/84/18/557578418.db2.gz GFRXZFCEZIIFSF-MGPQQGTHSA-N 1 0 401.288 4.099 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCCC1 ZINC000022680667 557767449 /nfs/dbraw/zinc/76/74/49/557767449.db2.gz RTNIDHRLRPIIIC-SFHVURJKSA-N 1 0 421.310 4.164 50 0 HIAARO O=C(NCc1cccs1)[C@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011788087 558276681 /nfs/dbraw/zinc/27/66/81/558276681.db2.gz FUYAUAADASYHGD-HXUWFJFHSA-N 1 0 406.555 4.057 50 0 HIAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1 ZINC000011813478 558278321 /nfs/dbraw/zinc/27/83/21/558278321.db2.gz UVJLWLIENYOCLF-UHFFFAOYSA-N 1 0 404.514 4.290 50 0 HIAARO O=C(c1cnn(-c2ccccc2)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011815400 558279266 /nfs/dbraw/zinc/27/92/66/558279266.db2.gz NCDBJRCABRETPB-VWLOTQADSA-N 1 0 418.516 4.140 50 0 HIAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000011818967 558282093 /nfs/dbraw/zinc/28/20/93/558282093.db2.gz KKMJTFJMNONCSE-JOCHJYFZSA-N 1 0 402.542 4.464 50 0 HIAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cnc(C)nc3)CC2)c1 ZINC000011874498 558292245 /nfs/dbraw/zinc/29/22/45/558292245.db2.gz JCPSLNRRELTXPL-UHFFFAOYSA-N 1 0 416.525 4.311 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000011874872 558292511 /nfs/dbraw/zinc/29/25/11/558292511.db2.gz ZFRBJSOZNAUWRD-UHFFFAOYSA-N 1 0 420.532 4.038 50 0 HIAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)cc1C ZINC000011878986 558293465 /nfs/dbraw/zinc/29/34/65/558293465.db2.gz RVLAYBDZRUWONE-HXUWFJFHSA-N 1 0 411.546 4.334 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cccc3nonc32)CC1)NCc1cccc(Cl)c1 ZINC000011879434 558293985 /nfs/dbraw/zinc/29/39/85/558293985.db2.gz QDYKQCZPGKAHOM-UHFFFAOYSA-N 1 0 412.921 4.185 50 0 HIAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)n1 ZINC000011937887 558301335 /nfs/dbraw/zinc/30/13/35/558301335.db2.gz OPPUXCXFNFFKPI-UHFFFAOYSA-N 1 0 402.498 4.428 50 0 HIAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019908831 558306111 /nfs/dbraw/zinc/30/61/11/558306111.db2.gz WRLVDXBXRIAYFB-DEOSSOPVSA-N 1 0 406.501 4.055 50 0 HIAARO Cc1cc(C)c(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1 ZINC000019908933 558306221 /nfs/dbraw/zinc/30/62/21/558306221.db2.gz YMFFTWYIYYNZQX-DEOSSOPVSA-N 1 0 404.554 4.327 50 0 HIAARO COc1cccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000011997883 558307471 /nfs/dbraw/zinc/30/74/71/558307471.db2.gz KTUZAOLQHZBKLI-FQEVSTJZSA-N 1 0 420.475 4.427 50 0 HIAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012056375 558315890 /nfs/dbraw/zinc/31/58/90/558315890.db2.gz QFOPGACATALYJV-IBGZPJMESA-N 1 0 405.542 4.203 50 0 HIAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000020059512 558329194 /nfs/dbraw/zinc/32/91/94/558329194.db2.gz JIWLKQFUADLPCW-HSZRJFAPSA-N 1 0 417.597 4.007 50 0 HIAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000020109666 558334654 /nfs/dbraw/zinc/33/46/54/558334654.db2.gz KLOZWIJBVANOSY-OAQYLSRUSA-N 1 0 402.966 4.334 50 0 HIAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCc1ccc(F)cc1 ZINC000012150405 558338892 /nfs/dbraw/zinc/33/88/92/558338892.db2.gz MPDSPSWRDJUSLS-UHFFFAOYSA-N 1 0 406.501 4.292 50 0 HIAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc(C)c(OC)cc3C)C2)CC1 ZINC000020233314 558350396 /nfs/dbraw/zinc/35/03/96/558350396.db2.gz RSMBRCQRAMTPBN-QHCPKHFHSA-N 1 0 423.601 4.107 50 0 HIAARO COc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012199113 558350801 /nfs/dbraw/zinc/35/08/01/558350801.db2.gz IAOQHNCNYQKJFZ-UHFFFAOYSA-N 1 0 410.514 4.097 50 0 HIAARO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3csc4nc(-c5ccccc5F)cn34)C2)C1 ZINC000012200841 558351254 /nfs/dbraw/zinc/35/12/54/558351254.db2.gz WOZJTQSBCQCZLL-QFIPXVFZSA-N 1 0 412.534 4.150 50 0 HIAARO O=C(c1cc2ccccc2oc1=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000012201923 558351807 /nfs/dbraw/zinc/35/18/07/558351807.db2.gz YUUDKYJNOCABQY-VWLOTQADSA-N 1 0 420.484 4.060 50 0 HIAARO CCCn1ncc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000012203102 558351935 /nfs/dbraw/zinc/35/19/35/558351935.db2.gz JELCPWYOQCRRGM-HARLFGEKSA-N 1 0 412.965 4.193 50 0 HIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)c1 ZINC000012206886 558353036 /nfs/dbraw/zinc/35/30/36/558353036.db2.gz BPFZJKQSGWDIEV-QFIPXVFZSA-N 1 0 416.525 4.234 50 0 HIAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccccc2SC)cc1 ZINC000012209087 558353519 /nfs/dbraw/zinc/35/35/19/558353519.db2.gz GYXIBSJHPJTKBX-UHFFFAOYSA-N 1 0 412.599 4.444 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1Cc1ccc(C(F)(F)F)cc1F ZINC000012279049 558364906 /nfs/dbraw/zinc/36/49/06/558364906.db2.gz DJRPIDXHDYJXJH-GOSISDBHSA-N 1 0 424.438 4.394 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCc3ccccc3)CC2)c(OC)c1 ZINC000012298026 558368014 /nfs/dbraw/zinc/36/80/14/558368014.db2.gz RAPHMLSJDISRAR-UHFFFAOYSA-N 1 0 407.514 4.275 50 0 HIAARO Cc1ccc2[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@H+](CCc4ccccc4F)C3)c2c1 ZINC000012302984 558372639 /nfs/dbraw/zinc/37/26/39/558372639.db2.gz IMNQLHGYYNPMKO-SFHVURJKSA-N 1 0 408.521 4.037 50 0 HIAARO C[N@@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012307550 558376226 /nfs/dbraw/zinc/37/62/26/558376226.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 1 0 407.533 4.466 50 0 HIAARO Clc1ccc(-n2cccc2C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)nc1 ZINC000012318880 558381655 /nfs/dbraw/zinc/38/16/55/558381655.db2.gz HGMOLFDSNSGELY-LJQANCHMSA-N 1 0 404.905 4.274 50 0 HIAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000012362947 558387473 /nfs/dbraw/zinc/38/74/73/558387473.db2.gz GFRXZFCEZIIFSF-MJBXVCDLSA-N 1 0 401.288 4.099 50 0 HIAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cc(C)c(O)c(C)c4)CC3)on2)c1 ZINC000012387479 558396539 /nfs/dbraw/zinc/39/65/39/558396539.db2.gz CNBPXSPHLJCDRW-UHFFFAOYSA-N 1 0 422.525 4.242 50 0 HIAARO CC(C)c1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000012434026 558407770 /nfs/dbraw/zinc/40/77/70/558407770.db2.gz XBEYZWIJPXJOPR-UHFFFAOYSA-N 1 0 409.578 4.225 50 0 HIAARO CCOc1cccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c1 ZINC000012439456 558410926 /nfs/dbraw/zinc/41/09/26/558410926.db2.gz NXPVMSPGZDIHNY-UHFFFAOYSA-N 1 0 408.542 4.365 50 0 HIAARO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1CC1CCCCC1 ZINC000020907548 558421321 /nfs/dbraw/zinc/42/13/21/558421321.db2.gz WUJRPENQKYFDGH-JOCHJYFZSA-N 1 0 404.982 4.065 50 0 HIAARO C[C@@H](COc1ccccc1)[NH+]1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000012571861 558429370 /nfs/dbraw/zinc/42/93/70/558429370.db2.gz GZANDXCCWDKMAF-IBGZPJMESA-N 1 0 424.541 4.356 50 0 HIAARO CC(C)c1nc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cs1 ZINC000012572551 558429733 /nfs/dbraw/zinc/42/97/33/558429733.db2.gz MGADDQLAJALKOO-QGZVFWFLSA-N 1 0 403.567 4.432 50 0 HIAARO O=C(c1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012579464 558432044 /nfs/dbraw/zinc/43/20/44/558432044.db2.gz WVSDRELQRIGMFM-NRFANRHFSA-N 1 0 409.574 4.444 50 0 HIAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(OC)cc3F)C2)c1 ZINC000012588932 558435026 /nfs/dbraw/zinc/43/50/26/558435026.db2.gz LOFDCCKPAWZEAR-SFHVURJKSA-N 1 0 414.521 4.152 50 0 HIAARO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCCO1 ZINC000012589316 558435156 /nfs/dbraw/zinc/43/51/56/558435156.db2.gz RKYODAQITQCKCD-NRFANRHFSA-N 1 0 405.498 4.269 50 0 HIAARO COC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012612474 558438954 /nfs/dbraw/zinc/43/89/54/558438954.db2.gz STTGWNAQDZKDBQ-SFHVURJKSA-N 1 0 405.498 4.126 50 0 HIAARO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000021702684 558445949 /nfs/dbraw/zinc/44/59/49/558445949.db2.gz HYWBGLHMOCPVLO-VQTJNVASSA-N 1 0 409.574 4.149 50 0 HIAARO Cc1ccc(-n2cc(C[NH2+]CCN3CCCCC3=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000012702045 558448090 /nfs/dbraw/zinc/44/80/90/558448090.db2.gz SPPCGVOQAAYPPO-UHFFFAOYSA-N 1 0 406.505 4.089 50 0 HIAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3nc4ccccc4s3)sc2c1 ZINC000004359129 558448412 /nfs/dbraw/zinc/44/84/12/558448412.db2.gz MIZJQVDCTUCPFO-UHFFFAOYSA-N 1 0 412.540 4.123 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790499 558448918 /nfs/dbraw/zinc/44/89/18/558448918.db2.gz SBBXLKGUWKSHDI-UHFFFAOYSA-N 1 0 409.843 4.129 50 0 HIAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn32)CC1 ZINC000021799214 558449855 /nfs/dbraw/zinc/44/98/55/558449855.db2.gz YHSITYIOPDWISN-UHFFFAOYSA-N 1 0 407.415 4.005 50 0 HIAARO COc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)cc1OC ZINC000004359311 558450708 /nfs/dbraw/zinc/45/07/08/558450708.db2.gz RLDVXRFQYPGNTL-UHFFFAOYSA-N 1 0 419.934 4.175 50 0 HIAARO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)c(OC)c1OC ZINC000021841294 558451660 /nfs/dbraw/zinc/45/16/60/558451660.db2.gz WILIMXPPGYUFJO-SFHVURJKSA-N 1 0 404.576 4.337 50 0 HIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012712099 558453274 /nfs/dbraw/zinc/45/32/74/558453274.db2.gz KEZBBIXDDVKHRC-JOCHJYFZSA-N 1 0 415.533 4.404 50 0 HIAARO COc1ccc(C(=O)NCc2ccc(C)s2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012761654 558461174 /nfs/dbraw/zinc/46/11/74/558461174.db2.gz SBGFKPOEYHZFQV-UHFFFAOYSA-N 1 0 402.560 4.247 50 0 HIAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022776791 558509553 /nfs/dbraw/zinc/50/95/53/558509553.db2.gz SDTWNFSDAIVKGQ-FQEVSTJZSA-N 1 0 424.548 4.391 50 0 HIAARO C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022912705 558519982 /nfs/dbraw/zinc/51/99/82/558519982.db2.gz MRJJBUDMZWFBIA-QGZVFWFLSA-N 1 0 419.541 4.189 50 0 HIAARO Cc1ccc(Cl)c(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c1Cl ZINC000022914474 558521184 /nfs/dbraw/zinc/52/11/84/558521184.db2.gz SMCDLNIBELTJQH-UHFFFAOYSA-N 1 0 406.357 4.101 50 0 HIAARO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022915990 558521314 /nfs/dbraw/zinc/52/13/14/558521314.db2.gz WGUBNMSRTVVRRM-INIZCTEOSA-N 1 0 406.357 4.181 50 0 HIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000013282093 558528877 /nfs/dbraw/zinc/52/88/77/558528877.db2.gz XXULBLUIXKHKKE-HXUWFJFHSA-N 1 0 411.494 4.047 50 0 HIAARO S=c1n(C2CC2)cnn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023254059 558546153 /nfs/dbraw/zinc/54/61/53/558546153.db2.gz SXGPNNJXKBXJLJ-UHFFFAOYSA-N 1 0 405.571 4.114 50 0 HIAARO CN(Cc1cccn1-c1nccs1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000023337607 558549922 /nfs/dbraw/zinc/54/99/22/558549922.db2.gz GUSMWQOTDZYVPT-HXUWFJFHSA-N 1 0 412.578 4.459 50 0 HIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCc2cn[nH]c2)c(F)c1 ZINC000023340307 558550643 /nfs/dbraw/zinc/55/06/43/558550643.db2.gz PWMRMMYSIUVGMF-UHFFFAOYSA-N 1 0 405.477 4.085 50 0 HIAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375162 558554616 /nfs/dbraw/zinc/55/46/16/558554616.db2.gz PRZSXUPHVPNYCK-HXUWFJFHSA-N 1 0 406.549 4.402 50 0 HIAARO C[NH+]1CCC(NC(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)CC1 ZINC000013641186 558555548 /nfs/dbraw/zinc/55/55/48/558555548.db2.gz GXELDKYIROSVQJ-UHFFFAOYSA-N 1 0 418.522 4.442 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@H](CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)C1 ZINC000023673289 558566726 /nfs/dbraw/zinc/56/67/26/558566726.db2.gz HAWAYNLAKCFLMC-INIZCTEOSA-N 1 0 409.983 4.080 50 0 HIAARO c1nc2ccccc2n1-c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000023908827 558581326 /nfs/dbraw/zinc/58/13/26/558581326.db2.gz HABSEDLBDJHLNA-DEOSSOPVSA-N 1 0 412.537 4.016 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCc1cccc(Cl)c1 ZINC000013727811 558585162 /nfs/dbraw/zinc/58/51/62/558585162.db2.gz IAOCXONRNKOZRY-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO COc1cc(Cl)cc(C[NH2+]CCCN2CCCC2=O)c1OCc1ccccc1 ZINC000013728047 558585370 /nfs/dbraw/zinc/58/53/70/558585370.db2.gz ROVDYLPUOUHDDQ-UHFFFAOYSA-N 1 0 402.922 4.030 50 0 HIAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731436 558586749 /nfs/dbraw/zinc/58/67/49/558586749.db2.gz DLFSXJRSEOENRH-UHFFFAOYSA-N 1 0 408.473 4.450 50 0 HIAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000014531745 558656461 /nfs/dbraw/zinc/65/64/61/558656461.db2.gz OJMNKQYPGJJNSQ-UHFFFAOYSA-N 1 0 421.532 4.266 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccc(F)c1 ZINC000014880575 558675867 /nfs/dbraw/zinc/67/58/67/558675867.db2.gz MSOWIBRZDWEQLQ-SFHVURJKSA-N 1 0 414.521 4.265 50 0 HIAARO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc(OC)c1OC ZINC000027662535 558678423 /nfs/dbraw/zinc/67/84/23/558678423.db2.gz DQXBDAVGCFFOMF-KRWDZBQOSA-N 1 0 418.559 4.121 50 0 HIAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc2c1OCO2 ZINC000014952876 558681477 /nfs/dbraw/zinc/68/14/77/558681477.db2.gz AWWKMFJXOOSZCZ-GFCCVEGCSA-N 1 0 401.413 4.047 50 0 HIAARO O=C(c1ccccc1-n1cccn1)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014963368 558684807 /nfs/dbraw/zinc/68/48/07/558684807.db2.gz KMKMVZQNJWLLCT-VWNXMTODSA-N 1 0 414.553 4.042 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687463 /nfs/dbraw/zinc/68/74/63/558687463.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 1 0 412.574 4.099 50 0 HIAARO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014990284 558694119 /nfs/dbraw/zinc/69/41/19/558694119.db2.gz OHYRPAMMOVFDQN-OAQYLSRUSA-N 1 0 410.558 4.067 50 0 HIAARO Cc1ccc(F)cc1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014998115 558696808 /nfs/dbraw/zinc/69/68/08/558696808.db2.gz UIEGXHSOCTVUIA-GOSISDBHSA-N 1 0 418.896 4.187 50 0 HIAARO CCc1c(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000015069603 558711914 /nfs/dbraw/zinc/71/19/14/558711914.db2.gz HZZHRSSGQIXXFY-JOCHJYFZSA-N 1 0 421.585 4.012 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCCc1ccccc1 ZINC000015070267 558712242 /nfs/dbraw/zinc/71/22/42/558712242.db2.gz HUDISAJDDNCJBL-IBGZPJMESA-N 1 0 414.933 4.172 50 0 HIAARO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000072283997 558714652 /nfs/dbraw/zinc/71/46/52/558714652.db2.gz VFPWFGYVUJUAOY-HXUWFJFHSA-N 1 0 424.463 4.422 50 0 HIAARO Cc1noc(C)c1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015075135 558715558 /nfs/dbraw/zinc/71/55/58/558715558.db2.gz YVTHDYYZPYTTGI-NRFANRHFSA-N 1 0 410.562 4.374 50 0 HIAARO Cc1ccccc1[C@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)NC(N)=O ZINC000029880231 558723041 /nfs/dbraw/zinc/72/30/41/558723041.db2.gz OWPYPKVIKWTTMY-QHCPKHFHSA-N 1 0 422.573 4.498 50 0 HIAARO COc1cc(Br)c(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000015185392 558727168 /nfs/dbraw/zinc/72/71/68/558727168.db2.gz VOQPQWZQBJTWEL-UHFFFAOYSA-N 1 0 419.363 4.352 50 0 HIAARO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000015590088 558745365 /nfs/dbraw/zinc/74/53/65/558745365.db2.gz BIEPNGHBWYBORL-HXUWFJFHSA-N 1 0 417.557 4.419 50 0 HIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015947400 558763762 /nfs/dbraw/zinc/76/37/62/558763762.db2.gz BEACJNWQYUWGBV-MRXNPFEDSA-N 1 0 422.348 4.326 50 0 HIAARO O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2C[NH+]3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000033295958 558765453 /nfs/dbraw/zinc/76/54/53/558765453.db2.gz MOVBBVMDHIRCTG-LJQANCHMSA-N 1 0 419.916 4.231 50 0 in-vivo HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000016110082 558772137 /nfs/dbraw/zinc/77/21/37/558772137.db2.gz HPODAFRBFMZULL-UHFFFAOYSA-N 1 0 409.555 4.494 50 0 HIAARO Cc1ccc2c(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000016199619 558778104 /nfs/dbraw/zinc/77/81/04/558778104.db2.gz OLJBWYZYWZPVGC-UHFFFAOYSA-N 1 0 418.537 4.123 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC000016694769 558800659 /nfs/dbraw/zinc/80/06/59/558800659.db2.gz XDKKJOVSQQHPNL-HXUWFJFHSA-N 1 0 407.514 4.238 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2ccccc2OCCO)cc1 ZINC000039442469 558821292 /nfs/dbraw/zinc/82/12/92/558821292.db2.gz GELAGDUHGNLDJG-QFIPXVFZSA-N 1 0 421.541 4.055 50 0 HIAARO CC1(C)C[C@@H](NC(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)CCO1 ZINC000019110842 558841526 /nfs/dbraw/zinc/84/15/26/558841526.db2.gz PMJHRLODIYYHBZ-IBGZPJMESA-N 1 0 400.563 4.160 50 0 HIAARO COc1ccc(Br)cc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019371313 558879228 /nfs/dbraw/zinc/87/92/28/558879228.db2.gz WGFVZPRDMQWKPL-UHFFFAOYSA-N 1 0 419.407 4.400 50 0 HIAARO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000058158701 558904040 /nfs/dbraw/zinc/90/40/40/558904040.db2.gz PIVGVKNFBWVSKN-INIZCTEOSA-N 1 0 421.472 4.376 50 0 HIAARO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)c1 ZINC000058168398 558907680 /nfs/dbraw/zinc/90/76/80/558907680.db2.gz OPZPAJXXZKXHGH-UHFFFAOYSA-N 1 0 408.329 4.159 50 0 HIAARO C[C@@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)[NH+]1CCC(C)CC1 ZINC000058209352 558911917 /nfs/dbraw/zinc/91/19/17/558911917.db2.gz HNEWPUWMBHUGTG-FQEVSTJZSA-N 1 0 404.558 4.195 50 0 HIAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c3cccnc23)[NH+]2CCCC2)o1 ZINC000058218156 558912819 /nfs/dbraw/zinc/91/28/19/558912819.db2.gz WVCDKZWXJVMYRN-GOSISDBHSA-N 1 0 413.905 4.122 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC000033222760 558913088 /nfs/dbraw/zinc/91/30/88/558913088.db2.gz MZWYSBVIBLKPAT-UHFFFAOYSA-N 1 0 406.530 4.218 50 0 HIAARO O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374038 558941968 /nfs/dbraw/zinc/94/19/68/558941968.db2.gz AKFWBXJNHKHQAK-SFHVURJKSA-N 1 0 418.463 4.079 50 0 HIAARO CC(=O)N[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000072431566 558979420 /nfs/dbraw/zinc/97/94/20/558979420.db2.gz AROHIQCDHNCJLG-GOSISDBHSA-N 1 0 412.534 4.067 50 0 HIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCC4)c1 ZINC000072473213 558983593 /nfs/dbraw/zinc/98/35/93/558983593.db2.gz DZAQWJKPRBEXFU-SZPZYZBQSA-N 1 0 411.505 4.244 50 0 HIAARO C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031396 558985441 /nfs/dbraw/zinc/98/54/41/558985441.db2.gz XKMHUPMHVSUKQK-UZLBHIALSA-N 1 0 402.995 4.004 50 0 HIAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](C1CCN(c3ccccc3)CC1)C2 ZINC000067841937 558993694 /nfs/dbraw/zinc/99/36/94/558993694.db2.gz TUXQRVJYIBNZGF-UHFFFAOYSA-N 1 0 401.510 4.318 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@H]2CC23CC3)CC1 ZINC000095518767 559084982 /nfs/dbraw/zinc/08/49/82/559084982.db2.gz KHUKTMWZYIKXGW-XMMPIXPASA-N 1 0 403.570 4.431 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](CCc3ccccn3)C2)cc1Cl ZINC000095527801 559086312 /nfs/dbraw/zinc/08/63/12/559086312.db2.gz SYPFMRMEMWROQT-KRWDZBQOSA-N 1 0 401.938 4.417 50 0 HIAARO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000096766508 559112266 /nfs/dbraw/zinc/11/22/66/559112266.db2.gz IXAAUMUIBBPGPZ-UHFFFAOYSA-N 1 0 415.516 4.474 50 0 HIAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000011614672 559114599 /nfs/dbraw/zinc/11/45/99/559114599.db2.gz PELMNQDQRYVEAL-GOSISDBHSA-N 1 0 417.292 4.207 50 0 HIAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccccc3F)nc21 ZINC000005256909 559162451 /nfs/dbraw/zinc/16/24/51/559162451.db2.gz AXFRAUXVYOJKAQ-UHFFFAOYSA-N 1 0 407.898 4.306 50 0 HIAARO CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000072328664 559176833 /nfs/dbraw/zinc/17/68/33/559176833.db2.gz BGVXCTQTNPGRMR-UHFFFAOYSA-N 1 0 410.562 4.346 50 0 HIAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023737729 559179531 /nfs/dbraw/zinc/17/95/31/559179531.db2.gz OTHAQESBWNKBOP-FQEVSTJZSA-N 1 0 408.933 4.401 50 0 HIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004905704 559201667 /nfs/dbraw/zinc/20/16/67/559201667.db2.gz ZNCTUOFDDJHXKX-FQEVSTJZSA-N 1 0 405.498 4.159 50 0 HIAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]CCCOC(C)C ZINC000004992311 559224895 /nfs/dbraw/zinc/22/48/95/559224895.db2.gz VFXKFIACFQZVQR-FGZHOGPDSA-N 1 0 416.949 4.216 50 0 HIAARO Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCCC[NH+]1CCCC1 ZINC000005057424 559237958 /nfs/dbraw/zinc/23/79/58/559237958.db2.gz WVSJLUNQFVRKFH-UHFFFAOYSA-N 1 0 407.967 4.139 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005093745 559244391 /nfs/dbraw/zinc/24/43/91/559244391.db2.gz KANUWOBNLCKHGV-QFIPXVFZSA-N 1 0 421.541 4.449 50 0 HIAARO C[NH+](C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2cc3c(cc2s1)OCO3 ZINC000005121460 559248543 /nfs/dbraw/zinc/24/85/43/559248543.db2.gz ZUFNUHOSUYRCMA-UHFFFAOYSA-N 1 0 419.506 4.387 50 0 HIAARO CC(C)Cc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000011812701 559260260 /nfs/dbraw/zinc/26/02/60/559260260.db2.gz UXPFKNIRSLWXQB-QFIPXVFZSA-N 1 0 410.558 4.422 50 0 HIAARO Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C[NH+]4CCSCC4)cc3)C2)cc1 ZINC000011982513 559269965 /nfs/dbraw/zinc/26/99/65/559269965.db2.gz LHUZHERFISLALF-JOCHJYFZSA-N 1 0 424.610 4.475 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccc(F)cc3)nc21 ZINC000005239629 560548942 /nfs/dbraw/zinc/54/89/42/560548942.db2.gz HGDLOKUARVSDNX-UHFFFAOYSA-N 1 0 419.547 4.131 50 0 HIAARO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)CC1 ZINC000061992889 560568827 /nfs/dbraw/zinc/56/88/27/560568827.db2.gz WPMSKGJSKVLMAS-QBIGFDGOSA-N 1 0 424.585 4.276 50 0 HIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000061997008 560568886 /nfs/dbraw/zinc/56/88/86/560568886.db2.gz HVWGZKYGLNJPGC-AFFJLAOCSA-N 1 0 412.549 4.406 50 0 HIAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005345174 560569805 /nfs/dbraw/zinc/56/98/05/560569805.db2.gz XFTZSCCGCCBGFH-FQEVSTJZSA-N 1 0 424.932 4.349 50 0 HIAARO C[NH+](C)[C@H](CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000101499871 560796483 /nfs/dbraw/zinc/79/64/83/560796483.db2.gz IZZZFFONUIQULV-YVJFHRMNSA-N 1 0 411.505 4.107 50 0 HIAARO CC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982688 560858679 /nfs/dbraw/zinc/85/86/79/560858679.db2.gz KHJGYKRMQBHRFS-PZJWPPBQSA-N 1 0 402.922 4.115 50 0 HIAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000107497316 560896480 /nfs/dbraw/zinc/89/64/80/560896480.db2.gz VBHYESBBZOKLMW-FHLIZLRMSA-N 1 0 402.926 4.316 50 0 HIAARO O=C(c1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)N1CCCC[C@H]1CCO ZINC000108157412 560898141 /nfs/dbraw/zinc/89/81/41/560898141.db2.gz OHEWWTSYTUCAFM-RPBOFIJWSA-N 1 0 421.585 4.140 50 0 HIAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@H+]2CCCC[C@H]2C)no1 ZINC000048237101 568433077 /nfs/dbraw/zinc/43/30/77/568433077.db2.gz OYKOQNQRDUWILC-MRXNPFEDSA-N 1 0 402.564 4.055 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000048354665 568441196 /nfs/dbraw/zinc/44/11/96/568441196.db2.gz WTOQISDEDMRGGC-IRXDYDNUSA-N 1 0 417.644 4.479 50 0 HIAARO CCc1ccccc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1cccs1 ZINC000101215273 568442566 /nfs/dbraw/zinc/44/25/66/568442566.db2.gz HESZYPUBXPONIS-UHFFFAOYSA-N 1 0 416.660 4.147 50 0 HIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)o1 ZINC000049590280 568453066 /nfs/dbraw/zinc/45/30/66/568453066.db2.gz NVMHIFGYRYPCDY-SFHVURJKSA-N 1 0 400.548 4.222 50 0 HIAARO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874782 568460624 /nfs/dbraw/zinc/46/06/24/568460624.db2.gz QDAHNQMCUOUROQ-UHFFFAOYSA-N 1 0 408.336 4.471 50 0 HIAARO CSc1ccccc1N1CC[NH+](CCCOc2ccc3ccc(=O)oc3c2)CC1 ZINC000034205945 568533346 /nfs/dbraw/zinc/53/33/46/568533346.db2.gz ONMTTWGQKMYXNB-UHFFFAOYSA-N 1 0 410.539 4.106 50 0 HIAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2c(C)cccc2C)CC1 ZINC000020107862 568588364 /nfs/dbraw/zinc/58/83/64/568588364.db2.gz ORJJDZKHNDHLAV-UHFFFAOYSA-N 1 0 414.619 4.123 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCCC[C@H]4C)ccc3n2)CC1 ZINC000020153506 568590843 /nfs/dbraw/zinc/59/08/43/568590843.db2.gz JQIDGATUMQFYFX-GOSISDBHSA-N 1 0 411.619 4.256 50 0 HIAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccccc1F ZINC000020436125 568607252 /nfs/dbraw/zinc/60/72/52/568607252.db2.gz ITOVQTJXXDLODF-UHFFFAOYSA-N 1 0 413.493 4.049 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccncc1 ZINC000095462614 568621546 /nfs/dbraw/zinc/62/15/46/568621546.db2.gz BSMDTOCIKMVARC-PGRDOPGGSA-N 1 0 408.527 4.401 50 0 HIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000225412912 568635522 /nfs/dbraw/zinc/63/55/22/568635522.db2.gz VBBZYELUODTLKI-FZKQIMNGSA-N 1 0 407.345 4.378 50 0 HIAARO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](c3cccnc3)C3CC3)[C@@H](c3ccco3)C2)cc1 ZINC000096012833 568685156 /nfs/dbraw/zinc/68/51/56/568685156.db2.gz PJUBRVCJUUJDIC-RCZVLFRGSA-N 1 0 414.509 4.402 50 0 HIAARO CCSc1ccccc1N1CC[NH+](CC[C@@H](O)c2ccc(OC)c(OC)c2)CC1 ZINC000096026830 568686590 /nfs/dbraw/zinc/68/65/90/568686590.db2.gz HTSCLWIPBMDHLH-HXUWFJFHSA-N 1 0 416.587 4.062 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc21 ZINC000096114081 568693569 /nfs/dbraw/zinc/69/35/69/568693569.db2.gz SSUGIRRWLQPGAW-KRWDZBQOSA-N 1 0 406.482 4.387 50 0 HIAARO CCC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000229746828 568715212 /nfs/dbraw/zinc/71/52/12/568715212.db2.gz SVAXMYVZZXPGMK-NHCUHLMSSA-N 1 0 404.551 4.092 50 0 HIAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccccc3OC)c[nH]c21 ZINC000096276620 568715412 /nfs/dbraw/zinc/71/54/12/568715412.db2.gz KXNRTXOXCCPGEI-JOCHJYFZSA-N 1 0 419.569 4.473 50 0 HIAARO O=C(NCc1ccco1)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096280605 568718072 /nfs/dbraw/zinc/71/80/72/568718072.db2.gz WPAQUAMZCDTCMK-UHFFFAOYSA-N 1 0 409.917 4.185 50 0 HIAARO Cc1ccc(CN2c3ccccc3OC[C@H]2CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000096323074 568731364 /nfs/dbraw/zinc/73/13/64/568731364.db2.gz YICLHKMFRLPSGU-HSZRJFAPSA-N 1 0 421.585 4.145 50 0 HIAARO OCCCCC[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000247794561 568745616 /nfs/dbraw/zinc/74/56/16/568745616.db2.gz QLGADIOQZLALOJ-UHFFFAOYSA-N 1 0 402.901 4.038 50 0 HIAARO COCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000247906549 568746114 /nfs/dbraw/zinc/74/61/14/568746114.db2.gz XGBGQZFTDQYJBA-UHFFFAOYSA-N 1 0 405.329 4.426 50 0 HIAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000249694863 568748634 /nfs/dbraw/zinc/74/86/34/568748634.db2.gz PRBRLEODCXRSCB-SFHVURJKSA-N 1 0 410.949 4.238 50 0 HIAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2c1 ZINC000021934426 568761953 /nfs/dbraw/zinc/76/19/53/568761953.db2.gz GQCGBLJFNZHTIU-LJQANCHMSA-N 1 0 402.542 4.457 50 0 HIAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2c1 ZINC000021934796 568761959 /nfs/dbraw/zinc/76/19/59/568761959.db2.gz DFGQRYISOAQXRK-LJQANCHMSA-N 1 0 402.542 4.457 50 0 HIAARO Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002890321 568815055 /nfs/dbraw/zinc/81/50/55/568815055.db2.gz WMGBHQRLJYYYMU-FQEVSTJZSA-N 1 0 410.901 4.252 50 0 HIAARO Cc1cccc(Cn2nc(C[NH2+]CCCOc3ccccn3)c(-c3ccccc3)n2)c1 ZINC000261492625 568820567 /nfs/dbraw/zinc/82/05/67/568820567.db2.gz VMIUBGRHUNAWBS-UHFFFAOYSA-N 1 0 413.525 4.256 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000012516676 568840669 /nfs/dbraw/zinc/84/06/69/568840669.db2.gz KDIUGTWZWPKFNJ-RUZDIDTESA-N 1 0 423.557 4.374 50 0 HIAARO Cc1c(O)ccc2c(C[N@H+](C)CCOc3ccc(Br)cc3)cc(=O)oc12 ZINC000057554327 568853562 /nfs/dbraw/zinc/85/35/62/568853562.db2.gz WLPPXEDAVAMBKG-UHFFFAOYSA-N 1 0 418.287 4.080 50 0 HIAARO CC[C@H](C)CCCC[N+]1=C2SCCCN2[C@@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000003227410 568864315 /nfs/dbraw/zinc/86/43/15/568864315.db2.gz BSNNKOCTOAMLPY-KKSFZXQISA-N 1 0 413.554 4.471 50 0 HIAARO C[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000003301823 568876814 /nfs/dbraw/zinc/87/68/14/568876814.db2.gz SMZOFLCLZJHWJL-UHFFFAOYSA-N 1 0 424.342 4.442 50 0 HIAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccco4)CC3)c(C)o2)cc1 ZINC000004035762 568879322 /nfs/dbraw/zinc/87/93/22/568879322.db2.gz GWXTYDAXOOZBFZ-UHFFFAOYSA-N 1 0 407.514 4.334 50 0 HIAARO Cn1c2ccc(C(=O)OC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2nc1C(F)(F)F ZINC000084311095 568946047 /nfs/dbraw/zinc/94/60/47/568946047.db2.gz OPMKDTCFGDEJOX-MRXNPFEDSA-N 1 0 417.431 4.271 50 0 HIAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)cc1OC ZINC000015669113 568960792 /nfs/dbraw/zinc/96/07/92/568960792.db2.gz YMHZJOYILIBJEY-UHFFFAOYSA-N 1 0 422.529 4.075 50 0 HIAARO CCOc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015726917 568978324 /nfs/dbraw/zinc/97/83/24/568978324.db2.gz CBRZXQUYCOJQIY-UHFFFAOYSA-N 1 0 404.514 4.299 50 0 HIAARO O=C(NCc1cccc(Cl)c1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727039 568978408 /nfs/dbraw/zinc/97/84/08/568978408.db2.gz GKRPRTHGCGEZGK-UHFFFAOYSA-N 1 0 412.896 4.062 50 0 HIAARO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000008200002 568982363 /nfs/dbraw/zinc/98/23/63/568982363.db2.gz FBLJQRRQYDRCHU-GFCCVEGCSA-N 1 0 402.741 4.227 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000015786025 569006787 /nfs/dbraw/zinc/00/67/87/569006787.db2.gz XQRHLTBMTVXMBD-UHFFFAOYSA-N 1 0 416.550 4.481 50 0 HIAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000583652742 569009363 /nfs/dbraw/zinc/00/93/63/569009363.db2.gz MDEUSTZAXWTZGX-QPPBQGQZSA-N 1 0 411.590 4.230 50 0 HIAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccccc1N1CCCC1=O ZINC000012878374 569014040 /nfs/dbraw/zinc/01/40/40/569014040.db2.gz GISFBJQSOQNPHP-UHFFFAOYSA-N 1 0 416.525 4.113 50 0 HIAARO O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCC[NH+]1CCCCC1 ZINC000015863491 569016205 /nfs/dbraw/zinc/01/62/05/569016205.db2.gz OBPSVXUDZCMFLH-UHFFFAOYSA-N 1 0 418.563 4.068 50 0 HIAARO CCc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012916912 569022408 /nfs/dbraw/zinc/02/24/08/569022408.db2.gz GVDXTJJCTPGKMM-QKKBWIMNSA-N 1 0 420.538 4.186 50 0 HIAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)cc1 ZINC000035372639 569033857 /nfs/dbraw/zinc/03/38/57/569033857.db2.gz RIBTYWRBGULQGJ-UHFFFAOYSA-N 1 0 420.582 4.244 50 0 HIAARO Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(C[NH+]5CCCC5)c4)c3c2)o1 ZINC000035462155 569038046 /nfs/dbraw/zinc/03/80/46/569038046.db2.gz VLTUTGICGFLSJN-UHFFFAOYSA-N 1 0 415.497 4.234 50 0 HIAARO O=C(NCCC[NH+]1CCCC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000035514324 569043295 /nfs/dbraw/zinc/04/32/95/569043295.db2.gz DBHPGYKROIOKNQ-UHFFFAOYSA-N 1 0 419.504 4.242 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000013012459 569050635 /nfs/dbraw/zinc/05/06/35/569050635.db2.gz SWIYCIBSZDCDBS-HSZRJFAPSA-N 1 0 422.573 4.130 50 0 HIAARO CC(C)n1c2ccccc2nc1[C@H](C)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000241846610 569054899 /nfs/dbraw/zinc/05/48/99/569054899.db2.gz SMEQSIAYBSXUKS-LNLFQRSKSA-N 1 0 406.530 4.296 50 0 HIAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000242263394 569055067 /nfs/dbraw/zinc/05/50/67/569055067.db2.gz XYRCZVNVNFDVGA-XXBNENTESA-N 1 0 419.569 4.268 50 0 HIAARO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(OC)c(OC2CCCC2)c1 ZINC000089420295 569060155 /nfs/dbraw/zinc/06/01/55/569060155.db2.gz ILXSKEQNAZSGMP-UHFFFAOYSA-N 1 0 401.503 4.298 50 0 HIAARO CN(C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421074 569061573 /nfs/dbraw/zinc/06/15/73/569061573.db2.gz WGRQJPWMBBJKPT-AREMUKBSSA-N 1 0 415.581 4.266 50 0 HIAARO COc1ccc(-c2nc3sc4cc(Cl)ccc4n3c2CN2CC[NH2+]CC2)cc1 ZINC000035828705 569061647 /nfs/dbraw/zinc/06/16/47/569061647.db2.gz RZZIPDRHHBUNLG-UHFFFAOYSA-N 1 0 412.946 4.283 50 0 HIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)C1CC1 ZINC000035840503 569062330 /nfs/dbraw/zinc/06/23/30/569062330.db2.gz PTETVIUBFVCMPW-XMMPIXPASA-N 1 0 408.517 4.388 50 0 HIAARO O=C(NC1CC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064593987 569069669 /nfs/dbraw/zinc/06/96/69/569069669.db2.gz NKAKAURJTQZCGE-UHFFFAOYSA-N 1 0 405.517 4.319 50 0 HIAARO COc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054377970 569073519 /nfs/dbraw/zinc/07/35/19/569073519.db2.gz XYLKOSZJZBDLKR-INIZCTEOSA-N 1 0 401.938 4.373 50 0 HIAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000064669623 569078919 /nfs/dbraw/zinc/07/89/19/569078919.db2.gz KKYXPNUWWSMXAQ-UHFFFAOYSA-N 1 0 405.542 4.198 50 0 HIAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036031232 569080922 /nfs/dbraw/zinc/08/09/22/569080922.db2.gz WOWNIAOALOUPSJ-HSZRJFAPSA-N 1 0 419.521 4.474 50 0 HIAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)CC1 ZINC000064746072 569088253 /nfs/dbraw/zinc/08/82/53/569088253.db2.gz YXUNFEZXTMAGDS-UHFFFAOYSA-N 1 0 410.591 4.344 50 0 HIAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036102921 569092194 /nfs/dbraw/zinc/09/21/94/569092194.db2.gz JHYDPNREJBLWRS-DEOSSOPVSA-N 1 0 409.501 4.414 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000169681301 569127411 /nfs/dbraw/zinc/12/74/11/569127411.db2.gz VUELXODBIVAGIH-BJKOFHAPSA-N 1 0 410.558 4.386 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341644 569141924 /nfs/dbraw/zinc/14/19/24/569141924.db2.gz KGMIMGQKJRPBHE-MBSDFSHPSA-N 1 0 421.541 4.256 50 0 HIAARO CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344074 569142475 /nfs/dbraw/zinc/14/24/75/569142475.db2.gz CVHWVXIHKCHFGT-DEOSSOPVSA-N 1 0 405.542 4.495 50 0 HIAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344442 569142716 /nfs/dbraw/zinc/14/27/16/569142716.db2.gz DQERZHVNADZAEP-QFIPXVFZSA-N 1 0 419.525 4.133 50 0 HIAARO CCOC(=O)c1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000006877389 569164296 /nfs/dbraw/zinc/16/42/96/569164296.db2.gz WYKSEOCUVNJMSC-LJQANCHMSA-N 1 0 421.541 4.166 50 0 HIAARO COc1ccc(C(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000007015462 569200857 /nfs/dbraw/zinc/20/08/57/569200857.db2.gz LWBUFIVLKKMBJZ-QFIPXVFZSA-N 1 0 413.558 4.435 50 0 HIAARO O=c1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2ccc(Cl)cn12 ZINC000007014742 569201367 /nfs/dbraw/zinc/20/13/67/569201367.db2.gz MVPHMZKFVMEIHB-UHFFFAOYSA-N 1 0 410.930 4.337 50 0 HIAARO C[NH+](C)CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618327 569209888 /nfs/dbraw/zinc/20/98/88/569209888.db2.gz WOVCAWSZGDJRFS-UHFFFAOYSA-N 1 0 410.474 4.049 50 0 HIAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618536 569210100 /nfs/dbraw/zinc/21/01/00/569210100.db2.gz VOFLYBIUOADSBV-UHFFFAOYSA-N 1 0 418.472 4.377 50 0 HIAARO O=C(c1ccn2c(c1)nnc2-c1cccc(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065296741 569219040 /nfs/dbraw/zinc/21/90/40/569219040.db2.gz BGLFKDOIURYFLF-UHFFFAOYSA-N 1 0 423.948 4.140 50 0 HIAARO CC[NH+]1CCN(c2ccccc2NC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000036774008 569227882 /nfs/dbraw/zinc/22/78/82/569227882.db2.gz XZAJHQDHHCUZKU-UHFFFAOYSA-N 1 0 403.979 4.354 50 0 HIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc(Br)c2)c(OC)c1 ZINC000065592059 569236811 /nfs/dbraw/zinc/23/68/11/569236811.db2.gz CCVQNBZOXGCYBV-MOPGFXCFSA-N 1 0 406.320 4.337 50 0 HIAARO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170614578 569247172 /nfs/dbraw/zinc/24/71/72/569247172.db2.gz ZMFPORHBLOOTLD-OALUTQOASA-N 1 0 405.464 4.310 50 0 HIAARO O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2C[NH+]3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000003819930 569254829 /nfs/dbraw/zinc/25/48/29/569254829.db2.gz MOVBBVMDHIRCTG-IBGZPJMESA-N 1 0 419.916 4.231 50 0 HIAARO Cc1nc(-c2cccc(C(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)no1 ZINC000089718487 569263039 /nfs/dbraw/zinc/26/30/39/569263039.db2.gz AGCINDKGGXKNOT-FXAWDEMLSA-N 1 0 404.514 4.076 50 0 HIAARO O=C(CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1cccc(F)c1 ZINC000089775161 569263553 /nfs/dbraw/zinc/26/35/53/569263553.db2.gz GARVGHMLXVZLFX-MRXNPFEDSA-N 1 0 412.440 4.223 50 0 HIAARO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000089887967 569267709 /nfs/dbraw/zinc/26/77/09/569267709.db2.gz BRTRQCKQXGUAQK-DNVCBOLYSA-N 1 0 421.379 4.325 50 0 HIAARO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCCCC2)cc1 ZINC000016993887 569270802 /nfs/dbraw/zinc/27/08/02/569270802.db2.gz QXHDSRZFXWWRPF-QHCPKHFHSA-N 1 0 408.498 4.088 50 0 HIAARO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252517093 569292255 /nfs/dbraw/zinc/29/22/55/569292255.db2.gz ZMFPORHBLOOTLD-RTBURBONSA-N 1 0 405.464 4.310 50 0 HIAARO CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000252548778 569294054 /nfs/dbraw/zinc/29/40/54/569294054.db2.gz QKQJGCGHXVYPIF-IRXDYDNUSA-N 1 0 409.596 4.037 50 0 HIAARO Cc1cccc(Cn2c(C(=O)NCC[NH+](C)C)cc3scc(Br)c32)c1 ZINC000037543615 569305385 /nfs/dbraw/zinc/30/53/85/569305385.db2.gz QNKNMLVPCOGHEC-UHFFFAOYSA-N 1 0 420.376 4.113 50 0 HIAARO COc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000037560412 569306976 /nfs/dbraw/zinc/30/69/76/569306976.db2.gz LGEULKKQLQIEPD-UHFFFAOYSA-N 1 0 414.521 4.497 50 0 HIAARO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CC[C@H]3CCCc4cccc1c43)CC2 ZINC000136971548 569359250 /nfs/dbraw/zinc/35/92/50/569359250.db2.gz JLFMYEAXZNPWBK-OFNKIYASSA-N 1 0 401.554 4.370 50 0 HIAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000002334670 569375942 /nfs/dbraw/zinc/37/59/42/569375942.db2.gz CPPJVXHDAYFCTO-UHFFFAOYSA-N 1 0 413.319 4.184 50 0 HIAARO Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCCC[NH+](C)C)cc1 ZINC000012419256 569401112 /nfs/dbraw/zinc/40/11/12/569401112.db2.gz WNQLPWDVAHUMTH-UHFFFAOYSA-N 1 0 413.543 4.155 50 0 HIAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012431040 569401254 /nfs/dbraw/zinc/40/12/54/569401254.db2.gz OBXAQYFZXPBRKV-JOCHJYFZSA-N 1 0 420.553 4.017 50 0 HIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000007946564 569402795 /nfs/dbraw/zinc/40/27/95/569402795.db2.gz XLHRDPGRJPANPC-UHFFFAOYSA-N 1 0 413.949 4.239 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cc1OC ZINC000013363880 569412042 /nfs/dbraw/zinc/41/20/42/569412042.db2.gz WGJYBMMIRNODFF-UHFFFAOYSA-N 1 0 411.546 4.354 50 0 HIAARO CCO[C@H]1C[C@H](NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C12CCCCC2 ZINC000078954297 569422053 /nfs/dbraw/zinc/42/20/53/569422053.db2.gz JREPFTXWLVOGFN-VXKWHMMOSA-N 1 0 414.594 4.078 50 0 HIAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCC(C)CC2)n3C)c1 ZINC000008624267 571096845 /nfs/dbraw/zinc/09/68/45/571096845.db2.gz AOUGVBPZANLVRE-UHFFFAOYSA-N 1 0 420.557 4.174 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1ccc(Cl)cc1Cl ZINC000040103820 571164525 /nfs/dbraw/zinc/16/45/25/571164525.db2.gz FPYLWAFOBLUPRH-UHFFFAOYSA-N 1 0 421.372 4.418 50 0 HIAARO O=C(CCCOc1ccccc1Br)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040120014 571176104 /nfs/dbraw/zinc/17/61/04/571176104.db2.gz WDIVMWBXCUXOJH-KRWDZBQOSA-N 1 0 421.335 4.154 50 0 HIAARO C[NH+](C)CCN(C(=O)c1nc2ccccc2s1)c1nc2c(cc(F)cc2F)s1 ZINC000009151876 571230776 /nfs/dbraw/zinc/23/07/76/571230776.db2.gz OYTVQRACYAPPKT-UHFFFAOYSA-N 1 0 418.494 4.393 50 0 HIAARO CC[NH+](CC)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2)n1 ZINC000009573537 571269390 /nfs/dbraw/zinc/26/93/90/571269390.db2.gz GUIPDPBVUVYEJY-UHFFFAOYSA-N 1 0 401.518 4.313 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)c(C)c1 ZINC000011774286 845832791 /nfs/dbraw/zinc/83/27/91/845832791.db2.gz UTRJUOTZEVEMOT-LJQANCHMSA-N 1 0 424.541 4.406 50 0 HIAARO Cc1ccsc1C(=O)N(Cc1cccc(OCC[NH+](C)C)c1)Cc1ccccn1 ZINC000012191014 845858876 /nfs/dbraw/zinc/85/88/76/845858876.db2.gz CODZSGUIEIFYPK-UHFFFAOYSA-N 1 0 409.555 4.235 50 0 HIAARO COc1ccc(CC[NH2+][C@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)cc1 ZINC000012331501 845868121 /nfs/dbraw/zinc/86/81/21/845868121.db2.gz IKXXWWXVDJTMNL-FQEVSTJZSA-N 1 0 408.521 4.277 50 0 HIAARO Cc1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)oc1C ZINC000012441676 845871017 /nfs/dbraw/zinc/87/10/17/845871017.db2.gz MSKXNZROXZJWIM-UHFFFAOYSA-N 1 0 419.525 4.265 50 0 HIAARO Cc1c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cnn1-c1ccccn1 ZINC000012449151 845871591 /nfs/dbraw/zinc/87/15/91/845871591.db2.gz LPPLXRJXPGYZAE-GOSISDBHSA-N 1 0 403.530 4.053 50 0 HIAARO C[N@H+](Cc1cccc(OCCNC(=O)c2ccoc2)c1)Cc1cccc2cccnc21 ZINC000012449969 845872445 /nfs/dbraw/zinc/87/24/45/845872445.db2.gz ZXEZCGDQYPTUSW-UHFFFAOYSA-N 1 0 415.493 4.269 50 0 HIAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC000014878790 845989791 /nfs/dbraw/zinc/98/97/91/845989791.db2.gz KXMNLYGUFMTDFZ-DEOSSOPVSA-N 1 0 418.581 4.153 50 0 HIAARO COc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000014993974 845997877 /nfs/dbraw/zinc/99/78/77/845997877.db2.gz NLHDZETZYLBUEE-LJQANCHMSA-N 1 0 406.448 4.385 50 0 HIAARO CC1(C[NH2+]Cc2cc3ccc(Cl)cc3nc2OCCOc2ccccc2)COC1 ZINC000014999200 845998097 /nfs/dbraw/zinc/99/80/97/845998097.db2.gz FJZZJQCEDZHGPL-UHFFFAOYSA-N 1 0 412.917 4.472 50 0 HIAARO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@H]([NH+]1CCCCC1)CC3 ZINC000015003711 845998686 /nfs/dbraw/zinc/99/86/86/845998686.db2.gz BGKTYRCZIWOIPT-LJQANCHMSA-N 1 0 407.583 4.434 50 0 HIAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](C4CCSCC4)CC3)c2)s1 ZINC000019794883 846372608 /nfs/dbraw/zinc/37/26/08/846372608.db2.gz WNZKYZGPPYJEKE-UHFFFAOYSA-N 1 0 402.589 4.060 50 0 HIAARO CC(=O)Nc1ccc2nc(CN3CCC[C@H]([N@H+](C)CCc4ccccc4)C3)ccc2c1 ZINC000020449477 846384073 /nfs/dbraw/zinc/38/40/73/846384073.db2.gz CZVZVDJRGCGJMB-VWLOTQADSA-N 1 0 416.569 4.332 50 0 HIAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc4cccnc43)[N@@H+]3CCC[C@@]23C1=O ZINC000020780556 846388587 /nfs/dbraw/zinc/38/85/87/846388587.db2.gz PEMZBYVFWJESLC-YBXDKENTSA-N 1 0 413.521 4.181 50 0 HIAARO COc1ccc([C@](O)(C[NH2+]Cc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000022171389 846540606 /nfs/dbraw/zinc/54/06/06/846540606.db2.gz BPATZKQHLKJMRV-QFIPXVFZSA-N 1 0 412.327 4.483 50 0 HIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2c2nncc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000023214035 846671281 /nfs/dbraw/zinc/67/12/81/846671281.db2.gz LPPFCRMWWDYMOW-OAQYLSRUSA-N 1 0 417.513 4.061 50 0 HIAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338626 846686881 /nfs/dbraw/zinc/68/68/81/846686881.db2.gz SVPXEQJNYSYJGU-HSZRJFAPSA-N 1 0 418.585 4.267 50 0 HIAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000107497287 852772106 /nfs/dbraw/zinc/77/21/06/852772106.db2.gz APDSVPCODGPRAN-JEBQAFNWSA-N 1 0 422.451 4.292 50 0 HIAARO O=C(c1ccncc1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776703 853663477 /nfs/dbraw/zinc/66/34/77/853663477.db2.gz VBUKYXBFMNEGQP-HSZRJFAPSA-N 1 0 423.532 4.039 50 0 HIAARO Cc1cc(C)n(CC(=O)N2CCC([N@@H+]3CC4(CCCCC4)[C@@H]3c3ccccc3)CC2)n1 ZINC000169791399 853664624 /nfs/dbraw/zinc/66/46/24/853664624.db2.gz CJQXAHXNDCAIIH-VWLOTQADSA-N 1 0 420.601 4.498 50 0 HIAARO CCOc1cc(/C=C\C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000254344125 854210380 /nfs/dbraw/zinc/21/03/80/854210380.db2.gz UQBUKVULARJFLF-PISNEZEASA-N 1 0 414.933 4.276 50 0 HIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000257184186 854234081 /nfs/dbraw/zinc/23/40/81/854234081.db2.gz TYGLIVXRQUJDCD-QHCPKHFHSA-N 1 0 418.541 4.319 50 0 HIAARO COCC[NH+]1CCC2(CC1)CN(Cc1ccc(Cl)c(F)c1)Cc1ccccc1O2 ZINC000257183095 854234157 /nfs/dbraw/zinc/23/41/57/854234157.db2.gz HEFVHDZXRNXEOK-UHFFFAOYSA-N 1 0 418.940 4.355 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(CCOc4cccc(C)c4)no3)C2)c1 ZINC000257193293 854235198 /nfs/dbraw/zinc/23/51/98/854235198.db2.gz XXDCWAMGWIOIFW-FQEVSTJZSA-N 1 0 407.514 4.388 50 0 HIAARO COc1cccc(C[N@H+](Cc2ccc(CC3CCN(C(C)=O)CC3)cc2)C2CC2)n1 ZINC000575553037 948679290 /nfs/dbraw/zinc/67/92/90/948679290.db2.gz SFQAQCQSEXLPFA-UHFFFAOYSA-N 1 0 407.558 4.056 50 0 HIAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000720276 132232007 /nfs/dbraw/zinc/23/20/07/132232007.db2.gz BHWOJAMWFTUYLW-UHFFFAOYSA-N 1 0 409.864 4.005 50 0 HIAARO C[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000001447601 132246291 /nfs/dbraw/zinc/24/62/91/132246291.db2.gz KVWZOBQVSUSPJG-UHFFFAOYSA-N 1 0 403.917 4.493 50 0 HIAARO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000004574913 132278856 /nfs/dbraw/zinc/27/88/56/132278856.db2.gz YOIOQJLAVNTXKL-UHFFFAOYSA-N 1 0 407.436 4.044 50 0 HIAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@@H+]1CCCC[C@@H]1CC ZINC000004917825 132294214 /nfs/dbraw/zinc/29/42/14/132294214.db2.gz QWPJOAHBUSZMPJ-KRWDZBQOSA-N 1 0 412.530 4.126 50 0 HIAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]CCCn3cccn3)CC2)c1 ZINC000011785726 132350609 /nfs/dbraw/zinc/35/06/09/132350609.db2.gz JWLDEMKNESGLKN-UHFFFAOYSA-N 1 0 409.578 4.051 50 0 HIAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000011912662 132352144 /nfs/dbraw/zinc/35/21/44/132352144.db2.gz IDBUHVLKYLFCRQ-UHFFFAOYSA-N 1 0 405.464 4.166 50 0 HIAARO CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000032935343 519820492 /nfs/dbraw/zinc/82/04/92/519820492.db2.gz ZEWURKVDRPBLLG-NRFANRHFSA-N 1 0 413.587 4.373 50 0 HIAARO CCC[NH2+]Cc1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000040734403 519943247 /nfs/dbraw/zinc/94/32/47/519943247.db2.gz NWPQFFLIVNXOPU-UHFFFAOYSA-N 1 0 421.335 4.283 50 0 HIAARO CCOC(=O)CCCCCCC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000043211305 520625362 /nfs/dbraw/zinc/62/53/62/520625362.db2.gz YLZNCCUSJPRGNL-UHFFFAOYSA-N 1 0 417.546 4.112 50 0 HIAARO CC[NH+](CC)CCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000032974901 520670201 /nfs/dbraw/zinc/67/02/01/520670201.db2.gz UXIKHJMEARAVOF-UHFFFAOYSA-N 1 0 404.558 4.238 50 0 HIAARO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccccc1F ZINC000040744893 520711658 /nfs/dbraw/zinc/71/16/58/520711658.db2.gz ULUBKHPGZKDPCH-UHFFFAOYSA-N 1 0 412.299 4.038 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NC4CCCCC4)ccc3n2)CC1 ZINC000020104840 521696646 /nfs/dbraw/zinc/69/66/46/521696646.db2.gz WNMRQWRQLFQTSR-UHFFFAOYSA-N 1 0 411.619 4.304 50 0 HIAARO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1cccc(F)c1 ZINC000032730166 522071692 /nfs/dbraw/zinc/07/16/92/522071692.db2.gz ULDODRSCXMNNFB-LJQANCHMSA-N 1 0 417.431 4.111 50 0 HIAARO COc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000040744856 522447917 /nfs/dbraw/zinc/44/79/17/522447917.db2.gz SCVMBZSGVDNSCY-UHFFFAOYSA-N 1 0 414.727 4.162 50 0 HIAARO COc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000032930082 523923307 /nfs/dbraw/zinc/92/33/07/523923307.db2.gz AUPQHWITNLTYRR-LJQANCHMSA-N 1 0 410.558 4.185 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2cnn(-c3ccc(C)cc3)c2C)[NH+]2CCCC2)c1 ZINC000040052292 524097187 /nfs/dbraw/zinc/09/71/87/524097187.db2.gz QTHVZWYQTNLDQS-XMMPIXPASA-N 1 0 418.541 4.065 50 0 HIAARO Cc1cccc(-c2csc3c2nc(N2CC[NH+](Cc4ccccc4)CC2)[nH]c3=O)c1 ZINC000048985967 524114197 /nfs/dbraw/zinc/11/41/97/524114197.db2.gz GOOJICXKUWDJKU-UHFFFAOYSA-N 1 0 416.550 4.282 50 0 HIAARO Cc1cccc(-c2csc3c2nc(N2CC[NH+](C4CCCCC4)CC2)[nH]c3=O)c1 ZINC000048985962 524114708 /nfs/dbraw/zinc/11/47/08/524114708.db2.gz KWQGQZXGGYXSDG-UHFFFAOYSA-N 1 0 408.571 4.415 50 0 HIAARO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040149110 525525987 /nfs/dbraw/zinc/52/59/87/525525987.db2.gz VXEYUMCTHHHODN-KRWDZBQOSA-N 1 0 420.376 4.193 50 0 HIAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040734592 526016705 /nfs/dbraw/zinc/01/67/05/526016705.db2.gz OZCNBZLEBMBYSA-UHFFFAOYSA-N 1 0 404.510 4.353 50 0 HIAARO Cc1ncc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)s1 ZINC000020600036 527254079 /nfs/dbraw/zinc/25/40/79/527254079.db2.gz FMUXGXQMYZMMBK-UHFFFAOYSA-N 1 0 423.586 4.447 50 0 HIAARO OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040743796 527540897 /nfs/dbraw/zinc/54/08/97/527540897.db2.gz ZHVAHYPKUJMCHW-UHFFFAOYSA-N 1 0 402.691 4.293 50 0 HIAARO O=C(NCCC[NH+]1CCCCC1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025813 527664830 /nfs/dbraw/zinc/66/48/30/527664830.db2.gz ZRZCUALQVYJWSH-UHFFFAOYSA-N 1 0 421.589 4.494 50 0 HIAARO CCOc1ccccc1NC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000008595798 535532301 /nfs/dbraw/zinc/53/23/01/535532301.db2.gz IQMANGIELGSCHL-UHFFFAOYSA-N 1 0 419.529 4.338 50 0 HIAARO Clc1ccc(Cn2ncc3c2ncnc3NCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002295150 557335094 /nfs/dbraw/zinc/33/50/94/557335094.db2.gz RMWHLRVTMZCIEI-UHFFFAOYSA-N 1 0 405.333 4.079 50 0 HIAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1cccc(C(F)(F)F)c1 ZINC000002514745 557353737 /nfs/dbraw/zinc/35/37/37/557353737.db2.gz YGKIKKBNKLZFLM-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCC(=O)NCc1ccccc1 ZINC000002886164 557422042 /nfs/dbraw/zinc/42/20/42/557422042.db2.gz XJOOJNFELLUDOK-UHFFFAOYSA-N 1 0 404.510 4.070 50 0 HIAARO COc1ccc(CCN(C(=O)c2ccc(F)cc2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000004400005 557552038 /nfs/dbraw/zinc/55/20/38/557552038.db2.gz XQNYCULHMXKFNJ-RTWAWAEBSA-N 1 0 424.516 4.278 50 0 HIAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004462352 557556145 /nfs/dbraw/zinc/55/61/45/557556145.db2.gz MCYOYFNDUAPHQY-QHCPKHFHSA-N 1 0 416.562 4.247 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCC(=O)NC(C)(C)C ZINC000004670827 557579257 /nfs/dbraw/zinc/57/92/57/557579257.db2.gz UTDBCKFXPRHGLV-UHFFFAOYSA-N 1 0 404.938 4.322 50 0 HIAARO COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2cccc(C(F)(F)F)c2)cc1 ZINC000005720605 557670653 /nfs/dbraw/zinc/67/06/53/557670653.db2.gz ZZPNDNJCZIZKFC-NRFANRHFSA-N 1 0 405.440 4.364 50 0 HIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000008382778 557784682 /nfs/dbraw/zinc/78/46/82/557784682.db2.gz DOMOMRYASJJXGD-INIZCTEOSA-N 1 0 418.921 4.245 50 0 HIAARO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1 ZINC000010474449 558258017 /nfs/dbraw/zinc/25/80/17/558258017.db2.gz LEYNOHJYLOXCNZ-SFHVURJKSA-N 1 0 406.320 4.305 50 0 HIAARO COc1ccc(-n2cc(C[NH2+][C@@H](C)Cc3cnccn3)c(-c3cccc(F)c3)n2)cc1 ZINC000019743521 558264276 /nfs/dbraw/zinc/26/42/76/558264276.db2.gz MFMYOWFHYRRGHB-KRWDZBQOSA-N 1 0 417.488 4.198 50 0 HIAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)c1 ZINC000011661149 558264997 /nfs/dbraw/zinc/26/49/97/558264997.db2.gz PRMIRESXIUKQTI-GOSISDBHSA-N 1 0 408.571 4.397 50 0 HIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1OC ZINC000011664044 558267622 /nfs/dbraw/zinc/26/76/22/558267622.db2.gz JKPCJILJQHFNBK-GOSISDBHSA-N 1 0 423.488 4.328 50 0 HIAARO CN(C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)C(C1CC1)C1CC1 ZINC000011667023 558268845 /nfs/dbraw/zinc/26/88/45/558268845.db2.gz UDLFUHDLTNIJJG-UHFFFAOYSA-N 1 0 419.569 4.386 50 0 HIAARO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4F)C3)cn2)cc1 ZINC000011705538 558270855 /nfs/dbraw/zinc/27/08/55/558270855.db2.gz ICAZHNOXEVNGGG-VWLOTQADSA-N 1 0 421.516 4.109 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)CC1 ZINC000011813143 558278045 /nfs/dbraw/zinc/27/80/45/558278045.db2.gz VQQZKPIBLGZVFY-AREMUKBSSA-N 1 0 420.597 4.457 50 0 HIAARO COc1ccccc1-n1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccc2F)cn1 ZINC000011815390 558279308 /nfs/dbraw/zinc/27/93/08/558279308.db2.gz XDWKMYWDABDHBH-HXUWFJFHSA-N 1 0 417.488 4.373 50 0 HIAARO COCCNC(=O)c1cccc(OC2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC000011844127 558288898 /nfs/dbraw/zinc/28/88/98/558288898.db2.gz MBFLTURMHLROMS-GOSISDBHSA-N 1 0 414.546 4.001 50 0 HIAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccc(Cl)cc3)C2)c1 ZINC000011873218 558290887 /nfs/dbraw/zinc/29/08/87/558290887.db2.gz UAUXSBPBWJVMNK-OAQYLSRUSA-N 1 0 400.950 4.452 50 0 HIAARO C[N@H+](C1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000019837737 558293059 /nfs/dbraw/zinc/29/30/59/558293059.db2.gz ZLVLLOCBZQHYAD-AREMUKBSSA-N 1 0 406.618 4.075 50 0 HIAARO CCOc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000011878937 558293421 /nfs/dbraw/zinc/29/34/21/558293421.db2.gz IEQAODSWPHECBA-UHFFFAOYSA-N 1 0 408.542 4.365 50 0 HIAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019852015 558295828 /nfs/dbraw/zinc/29/58/28/558295828.db2.gz VWFKWGKJSFSIBW-QHCPKHFHSA-N 1 0 413.585 4.007 50 0 HIAARO O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000011935620 558299749 /nfs/dbraw/zinc/29/97/49/558299749.db2.gz JFKPMOMFTREORO-HNNXBMFYSA-N 1 0 420.460 4.002 50 0 HIAARO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC000011937770 558301317 /nfs/dbraw/zinc/30/13/17/558301317.db2.gz LMUHDZLSQPGASB-XMMPIXPASA-N 1 0 411.509 4.414 50 0 HIAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc(F)c(F)c3)CC2)s1 ZINC000011971947 558305113 /nfs/dbraw/zinc/30/51/13/558305113.db2.gz FLHCDZMZPLRBDJ-MRXNPFEDSA-N 1 0 419.497 4.226 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc(OCCO)cc2)CC1)Nc1ccccc1Cl ZINC000011997748 558307280 /nfs/dbraw/zinc/30/72/80/558307280.db2.gz HTKDMELZUSHRDZ-UHFFFAOYSA-N 1 0 416.949 4.342 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1F ZINC000012040727 558312785 /nfs/dbraw/zinc/31/27/85/558312785.db2.gz NDAFQJCALMFBHF-OAHLLOKOSA-N 1 0 422.859 4.018 50 0 HIAARO Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012057065 558316368 /nfs/dbraw/zinc/31/63/68/558316368.db2.gz RPRIOXHTTFCIAY-KRWDZBQOSA-N 1 0 410.562 4.005 50 0 HIAARO CCN(Cc1nc2ccccc2n1C)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000020109612 558334734 /nfs/dbraw/zinc/33/47/34/558334734.db2.gz MOPGLZPKCNHXAF-JOCHJYFZSA-N 1 0 420.601 4.359 50 0 HIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000020117757 558336556 /nfs/dbraw/zinc/33/65/56/558336556.db2.gz IKYKMHDZODQJHT-UVRKOZNKSA-N 1 0 405.586 4.385 50 0 HIAARO Cc1ccccc1-c1cccc(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)c1 ZINC000020136558 558337717 /nfs/dbraw/zinc/33/77/17/558337717.db2.gz ZZTRFSYIESYOPR-KAYWLYCHSA-N 1 0 415.581 4.167 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1ccc(F)cc1 ZINC000012150218 558338956 /nfs/dbraw/zinc/33/89/56/558338956.db2.gz HTEWKFHSCMSQRK-SFHVURJKSA-N 1 0 414.521 4.265 50 0 HIAARO Cc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020207357 558346933 /nfs/dbraw/zinc/34/69/33/558346933.db2.gz YQENGNNQUJNFNI-RUZDIDTESA-N 1 0 419.613 4.332 50 0 HIAARO O=c1c2c3c(sc2ncn1CCc1cccc(F)c1)C[C@H]([NH2+]C1CCCC1)CC3 ZINC000012218636 558354757 /nfs/dbraw/zinc/35/47/57/558354757.db2.gz XNYRGSVUIXYEBI-GOSISDBHSA-N 1 0 411.546 4.229 50 0 HIAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1OC ZINC000020452667 558366752 /nfs/dbraw/zinc/36/67/52/558366752.db2.gz MEQOYFMAOGYJMQ-QHCPKHFHSA-N 1 0 410.558 4.045 50 0 HIAARO Cc1noc(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012297676 558367581 /nfs/dbraw/zinc/36/75/81/558367581.db2.gz GMTPFRFMGIVVFJ-RUZDIDTESA-N 1 0 409.574 4.171 50 0 HIAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012299433 558369579 /nfs/dbraw/zinc/36/95/79/558369579.db2.gz VDCXHSVIHHZENE-HXUWFJFHSA-N 1 0 408.546 4.284 50 0 HIAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000012302263 558372029 /nfs/dbraw/zinc/37/20/29/558372029.db2.gz HWIKBYWXWMQJTF-HSZRJFAPSA-N 1 0 422.504 4.186 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3cc(C)cc(C)c3)CC2)c1 ZINC000012314155 558377890 /nfs/dbraw/zinc/37/78/90/558377890.db2.gz MAJFRVDOZWRFNS-UHFFFAOYSA-N 1 0 408.542 4.248 50 0 HIAARO O=C(CCc1ccco1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012314682 558377970 /nfs/dbraw/zinc/37/79/70/558377970.db2.gz XSBHDZGYQSTHCV-GOSISDBHSA-N 1 0 402.485 4.251 50 0 HIAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC(CO)(CCCc2ccccc2)CC1 ZINC000012373035 558390578 /nfs/dbraw/zinc/39/05/78/558390578.db2.gz VSCNMHNSUGKKAA-UHFFFAOYSA-N 1 0 413.558 4.310 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(OC)c(OCC)c2)CC1 ZINC000012385226 558394263 /nfs/dbraw/zinc/39/42/63/558394263.db2.gz ASEYZTWSCZOPQE-UHFFFAOYSA-N 1 0 411.542 4.482 50 0 HIAARO C[C@@H]1CN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CCN1C ZINC000012430348 558405164 /nfs/dbraw/zinc/40/51/64/558405164.db2.gz TYTBOWWQOASXJK-QGZVFWFLSA-N 1 0 422.013 4.005 50 0 HIAARO CC(C)(C)NC(=O)c1cc(Cl)ccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000012434885 558408662 /nfs/dbraw/zinc/40/86/62/558408662.db2.gz CFHZMGHVJLQRCX-UHFFFAOYSA-N 1 0 401.938 4.307 50 0 HIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000012439722 558411367 /nfs/dbraw/zinc/41/13/67/558411367.db2.gz GEWQWLISUQJRMD-UHFFFAOYSA-N 1 0 409.526 4.251 50 0 HIAARO CCCOc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1Cl ZINC000020925651 558423598 /nfs/dbraw/zinc/42/35/98/558423598.db2.gz OYKPVFFIZWHKRZ-UHFFFAOYSA-N 1 0 417.966 4.377 50 0 HIAARO CSc1nc(C)c(CCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(C)n1 ZINC000020931112 558424178 /nfs/dbraw/zinc/42/41/78/558424178.db2.gz UBOMTLKLSHNPGO-UHFFFAOYSA-N 1 0 404.624 4.053 50 0 HIAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CC1=CCCCC1 ZINC000012572577 558429772 /nfs/dbraw/zinc/42/97/72/558429772.db2.gz XZQMCNZXXBHWMW-QFIPXVFZSA-N 1 0 410.602 4.231 50 0 HIAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012581014 558432578 /nfs/dbraw/zinc/43/25/78/558432578.db2.gz ZMBRTCHVTKLOFF-VWLOTQADSA-N 1 0 424.541 4.042 50 0 HIAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1)C1CC1 ZINC000012582363 558432909 /nfs/dbraw/zinc/43/29/09/558432909.db2.gz PEGANDIOZAYHJL-UHFFFAOYSA-N 1 0 408.546 4.390 50 0 HIAARO CSc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012592962 558436458 /nfs/dbraw/zinc/43/64/58/558436458.db2.gz PLVRQAJPAYWZJB-OPHFCASCSA-N 1 0 404.579 4.314 50 0 HIAARO COCc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)o1 ZINC000012706245 558449990 /nfs/dbraw/zinc/44/99/90/558449990.db2.gz KKOFRZAOXCVHLQ-UHFFFAOYSA-N 1 0 404.938 4.106 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1 ZINC000021805371 558450374 /nfs/dbraw/zinc/45/03/74/558450374.db2.gz PHIMDEQBVLQINO-LJQANCHMSA-N 1 0 411.527 4.369 50 0 HIAARO Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012716765 558455471 /nfs/dbraw/zinc/45/54/71/558455471.db2.gz DSKMUGSIZQHJJH-JOCHJYFZSA-N 1 0 415.537 4.354 50 0 HIAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(C(C)=O)cc3)nc21 ZINC000004359738 558457012 /nfs/dbraw/zinc/45/70/12/558457012.db2.gz RUBZXXWRPAFGAN-UHFFFAOYSA-N 1 0 411.527 4.106 50 0 HIAARO Clc1ccc(COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)c(Cl)c1 ZINC000022074030 558462267 /nfs/dbraw/zinc/46/22/67/558462267.db2.gz ZXWFUGMKJKZVIQ-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000229949448 558463215 /nfs/dbraw/zinc/46/32/15/558463215.db2.gz XYHSURUPEXRGRV-RBPBXQJFSA-N 1 0 406.998 4.054 50 0 HIAARO Cc1c2ccccc2nc2c1CCC[C@H]2[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022926582 558523342 /nfs/dbraw/zinc/52/33/42/558523342.db2.gz AUIFBDDBZANXFR-HSZRJFAPSA-N 1 0 415.537 4.467 50 0 HIAARO Cn1cc(C[NH+]2CCC([C@H](O)CCc3ccccc3)CC2)c(-c2ccccc2F)n1 ZINC000013594855 558546898 /nfs/dbraw/zinc/54/68/98/558546898.db2.gz MZXIYEJYRZQJPV-XMMPIXPASA-N 1 0 407.533 4.432 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717728 558580209 /nfs/dbraw/zinc/58/02/09/558580209.db2.gz AIGYOYLVNUNWJF-UHFFFAOYSA-N 1 0 419.460 4.282 50 0 HIAARO O=C(c1cc2c(s1)n(-c1ccccc1)nc2C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000013961106 558608958 /nfs/dbraw/zinc/60/89/58/558608958.db2.gz XSTMCDHTGMLDOV-CQSZACIVSA-N 1 0 420.460 4.026 50 0 HIAARO Cc1cc(C)cc(OCCC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000013987978 558610821 /nfs/dbraw/zinc/61/08/21/558610821.db2.gz LEKJAVXJLFJROL-UHFFFAOYSA-N 1 0 410.514 4.152 50 0 HIAARO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c12 ZINC000025331759 558638584 /nfs/dbraw/zinc/63/85/84/558638584.db2.gz ILMRBUANCABAEJ-IBGZPJMESA-N 1 0 406.511 4.292 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014241350 558644156 /nfs/dbraw/zinc/64/41/56/558644156.db2.gz HSLPOPCJFSJXQC-HXUWFJFHSA-N 1 0 415.537 4.376 50 0 HIAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014537248 558658554 /nfs/dbraw/zinc/65/85/54/558658554.db2.gz SOMBTKAJBOTXRA-UHFFFAOYSA-N 1 0 413.521 4.269 50 0 HIAARO C[C@@H](CC[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1)c1ccccc1 ZINC000014540534 558659627 /nfs/dbraw/zinc/65/96/27/558659627.db2.gz QCRVHVWFVKOAEZ-FQEVSTJZSA-N 1 0 405.542 4.109 50 0 HIAARO COCCNC(=O)c1cccc(OC2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)c1 ZINC000014948141 558679963 /nfs/dbraw/zinc/67/99/63/558679963.db2.gz JYEGTZCZRMMAAK-FQEVSTJZSA-N 1 0 402.579 4.289 50 0 HIAARO COc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000027668051 558680112 /nfs/dbraw/zinc/68/01/12/558680112.db2.gz ITWIHJUXPYUUHN-OAQYLSRUSA-N 1 0 407.514 4.112 50 0 HIAARO CC(C)c1nc(CNCc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)cs1 ZINC000014948193 558680225 /nfs/dbraw/zinc/68/02/25/558680225.db2.gz SHJWSSSPOWABOE-NRFANRHFSA-N 1 0 417.619 4.172 50 0 HIAARO C[N@H+](Cc1ccc(C(=O)NCc2cc3ccccc3s2)c(=O)[nH]1)C1CCCCC1 ZINC000014961380 558684085 /nfs/dbraw/zinc/68/40/85/558684085.db2.gz YBYFOQFWOADLOJ-UHFFFAOYSA-N 1 0 409.555 4.284 50 0 HIAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000027990349 558688080 /nfs/dbraw/zinc/68/80/80/558688080.db2.gz UCMJZFJBSKYJOI-RDPSFJRHSA-N 1 0 410.558 4.423 50 0 HIAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2ccc(O)c(OC)c2)cc1 ZINC000014975938 558689285 /nfs/dbraw/zinc/68/92/85/558689285.db2.gz WMZRIUBVDLGIFN-HXUWFJFHSA-N 1 0 407.514 4.398 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccncc2)CC1 ZINC000014980621 558691147 /nfs/dbraw/zinc/69/11/47/558691147.db2.gz KUURYFYAPMVXHY-UHFFFAOYSA-N 1 0 406.448 4.488 50 0 HIAARO CN(c1ccccc1)c1ccc(C[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000014983291 558692509 /nfs/dbraw/zinc/69/25/09/558692509.db2.gz MVFJHSCBOWFFLT-UHFFFAOYSA-N 1 0 400.526 4.084 50 0 HIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)NCc1ccccc1Cl ZINC000015062338 558705405 /nfs/dbraw/zinc/70/54/05/558705405.db2.gz IRKSODPGTNHTPR-KRWDZBQOSA-N 1 0 414.933 4.377 50 0 HIAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000015065487 558708278 /nfs/dbraw/zinc/70/82/78/558708278.db2.gz NOMIXZPVTFRSFA-DEOSSOPVSA-N 1 0 418.541 4.355 50 0 HIAARO C[C@@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070478 558712424 /nfs/dbraw/zinc/71/24/24/558712424.db2.gz SNLCVLMNGCGOKF-QFBILLFUSA-N 1 0 414.933 4.343 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1c(F)cccc1F ZINC000015071927 558713521 /nfs/dbraw/zinc/71/35/21/558713521.db2.gz NSNGANGDVAREMT-CQSZACIVSA-N 1 0 422.859 4.018 50 0 HIAARO CSCCCNC(=O)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000015078788 558717832 /nfs/dbraw/zinc/71/78/32/558717832.db2.gz JFNJOXFOGPPJTI-UHFFFAOYSA-N 1 0 412.599 4.255 50 0 HIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1 ZINC000015079957 558718314 /nfs/dbraw/zinc/71/83/14/558718314.db2.gz DXQVHKXSVBDLDS-HXUWFJFHSA-N 1 0 410.558 4.403 50 0 HIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000030804001 558738342 /nfs/dbraw/zinc/73/83/42/558738342.db2.gz BFYPEIKNZFIDDT-TYABSZSSSA-N 1 0 404.554 4.427 50 0 HIAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)no2)cc1 ZINC000015859671 558757412 /nfs/dbraw/zinc/75/74/12/558757412.db2.gz HVXNFTBKZMYCNC-LJQANCHMSA-N 1 0 411.527 4.369 50 0 HIAARO Cc1noc(-c2cccnc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000033004417 558759618 /nfs/dbraw/zinc/75/96/18/558759618.db2.gz WMWSFCQWVNSFSV-UHFFFAOYSA-N 1 0 411.509 4.352 50 0 HIAARO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016038814 558769919 /nfs/dbraw/zinc/76/99/19/558769919.db2.gz RJQCMQHPALJENL-CBPXPLCBSA-N 1 0 414.505 4.126 50 0 HIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)CSc3ccccc3)nc21 ZINC000004585262 558775677 /nfs/dbraw/zinc/77/56/77/558775677.db2.gz XYPVTXCMPXPZEY-UHFFFAOYSA-N 1 0 415.584 4.300 50 0 HIAARO Cc1c(C(=O)NCC[NH2+]C2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002495693 558776482 /nfs/dbraw/zinc/77/64/82/558776482.db2.gz QNONNJRKJAUTSM-UHFFFAOYSA-N 1 0 402.542 4.500 50 0 HIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OCc1ccccc1F ZINC000016195848 558778037 /nfs/dbraw/zinc/77/80/37/558778037.db2.gz CIKOVJZLRXJGJD-MRXNPFEDSA-N 1 0 424.310 4.444 50 0 HIAARO COC(=O)c1c(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)nc2n(C)c3ccccc3n21 ZINC000003833067 558780392 /nfs/dbraw/zinc/78/03/92/558780392.db2.gz VWOPUHITHRWLTJ-UHFFFAOYSA-N 1 0 406.530 4.013 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599169 558796450 /nfs/dbraw/zinc/79/64/50/558796450.db2.gz GMASGCQFOIDOBS-GOSISDBHSA-N 1 0 400.885 4.006 50 0 HIAARO COc1ccc(OCC[NH2+]CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016695388 558800882 /nfs/dbraw/zinc/80/08/82/558800882.db2.gz PQWNYNVHMXTKRM-IBGZPJMESA-N 1 0 404.510 4.208 50 0 HIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000016784023 558806930 /nfs/dbraw/zinc/80/69/30/558806930.db2.gz UHQRSYBSAVCTME-UHFFFAOYSA-N 1 0 423.601 4.262 50 0 HIAARO C[C@H](c1nccs1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000039490087 558821728 /nfs/dbraw/zinc/82/17/28/558821728.db2.gz OMPLDYHNBNZCLJ-UKRRQHHQSA-N 1 0 421.950 4.099 50 0 HIAARO Cc1cccn2c(=O)c(CC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)c(C)nc12 ZINC000000538119 558827590 /nfs/dbraw/zinc/82/75/90/558827590.db2.gz ZZQNEJILGNNOEP-UHFFFAOYSA-N 1 0 420.488 4.014 50 0 investigational HIAARO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000018219581 558833947 /nfs/dbraw/zinc/83/39/47/558833947.db2.gz QVJIXOKYYJIKOV-UHFFFAOYSA-N 1 0 424.548 4.145 50 0 HIAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[NH+]4CCCC4)c3)n2)cc1 ZINC000033025229 558844963 /nfs/dbraw/zinc/84/49/63/558844963.db2.gz YQEMAJFQDJDSHN-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cccc(N(C)C)c4)ccc3n2)CC1 ZINC000033084635 558868818 /nfs/dbraw/zinc/86/88/18/558868818.db2.gz NKMKWAZXIMIUEL-UHFFFAOYSA-N 1 0 417.557 4.003 50 0 HIAARO O=C(C1CCCC1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055089059 558871789 /nfs/dbraw/zinc/87/17/89/558871789.db2.gz HUKCJIJLLVYTMW-HXUWFJFHSA-N 1 0 409.496 4.009 50 0 HIAARO CCOc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871802 /nfs/dbraw/zinc/87/18/02/558871802.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 1 0 412.574 4.186 50 0 HIAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3sccc3C)CC2)c(Cl)c1 ZINC000055099301 558872334 /nfs/dbraw/zinc/87/23/34/558872334.db2.gz LJRVOKKBEZVXNJ-UHFFFAOYSA-N 1 0 422.978 4.130 50 0 HIAARO CSc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000055225456 558876479 /nfs/dbraw/zinc/87/64/79/558876479.db2.gz YULFFNALFQOCKB-OAQYLSRUSA-N 1 0 410.587 4.227 50 0 HIAARO COCCN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](C(C)C)CC1 ZINC000004669326 558877198 /nfs/dbraw/zinc/87/71/98/558877198.db2.gz TYPSPBBEPVRCTE-UHFFFAOYSA-N 1 0 403.514 4.223 50 0 HIAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)c1 ZINC000004678265 558889577 /nfs/dbraw/zinc/88/95/77/558889577.db2.gz ITGDWTBWBFDEGX-UHFFFAOYSA-N 1 0 402.292 4.479 50 0 HIAARO O=C(Cc1ccccc1)Nc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000057993787 558893227 /nfs/dbraw/zinc/89/32/27/558893227.db2.gz YUTPAQYPCTYDPZ-HXUWFJFHSA-N 1 0 424.520 4.099 50 0 HIAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@](O)(c1ccco1)C(F)(F)F ZINC000057997273 558893794 /nfs/dbraw/zinc/89/37/94/558893794.db2.gz SXMWZEAPKSSKDA-HRAATJIYSA-N 1 0 424.463 4.110 50 0 HIAARO COc1ccc(Oc2ncccc2NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000058105726 558899385 /nfs/dbraw/zinc/89/93/85/558899385.db2.gz XUUARWKNRXGVLW-HXUWFJFHSA-N 1 0 422.485 4.434 50 0 HIAARO CNC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000060523958 558905215 /nfs/dbraw/zinc/90/52/15/558905215.db2.gz HJMWAORSNBUVMP-UHFFFAOYSA-N 1 0 410.521 4.497 50 0 HIAARO O=C(Nc1cccc(COCCOc2ccccc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058216505 558912635 /nfs/dbraw/zinc/91/26/35/558912635.db2.gz HTSQUYQHKAXALA-HSZRJFAPSA-N 1 0 423.557 4.374 50 0 HIAARO O=C(CCCc1nnc(-c2ccccc2)o1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000033223167 558913131 /nfs/dbraw/zinc/91/31/31/558913131.db2.gz HFDFBIOYTAWWNL-UHFFFAOYSA-N 1 0 418.541 4.362 50 0 HIAARO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)NCc4ccoc4)cc3)CC2)c1 ZINC000058289643 558916703 /nfs/dbraw/zinc/91/67/03/558916703.db2.gz WNRBCPKYRVAINI-UHFFFAOYSA-N 1 0 404.514 4.232 50 0 HIAARO Cc1cccc(-c2cc(Nc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)ncn2)c1 ZINC000033261147 558928180 /nfs/dbraw/zinc/92/81/80/558928180.db2.gz ZQCFTHFUEFRRPD-UHFFFAOYSA-N 1 0 415.541 4.411 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261227 558928359 /nfs/dbraw/zinc/92/83/59/558928359.db2.gz LPAMAGBJBKHVMI-UHFFFAOYSA-N 1 0 407.493 4.098 50 0 HIAARO COc1ccc(OCc2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000019681691 558956916 /nfs/dbraw/zinc/95/69/16/558956916.db2.gz DRCGEIBPDOJBRS-UHFFFAOYSA-N 1 0 423.542 4.086 50 0 HIAARO OCC1CC[NH+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072408016 558977208 /nfs/dbraw/zinc/97/72/08/558977208.db2.gz CBRMUCGVKSMCFG-UHFFFAOYSA-N 1 0 410.901 4.488 50 0 HIAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072457823 558983015 /nfs/dbraw/zinc/98/30/15/558983015.db2.gz HKUWJTOQQSOFHU-LJQANCHMSA-N 1 0 405.498 4.400 50 0 HIAARO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031346 558985320 /nfs/dbraw/zinc/98/53/20/558985320.db2.gz XZTFFADPXVZPGM-UWJYYQICSA-N 1 0 417.022 4.312 50 0 HIAARO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031354 558985490 /nfs/dbraw/zinc/98/54/90/558985490.db2.gz XZTFFADPXVZPGM-LAUBAEHRSA-N 1 0 417.022 4.312 50 0 HIAARO COc1cc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cc(Cl)c1O ZINC000067842526 558993711 /nfs/dbraw/zinc/99/37/11/558993711.db2.gz PHYWUKHKWXYEFT-UHFFFAOYSA-N 1 0 405.922 4.098 50 0 HIAARO C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000097165685 558998559 /nfs/dbraw/zinc/99/85/59/558998559.db2.gz AAFXHRCQFMFBQR-KRWDZBQOSA-N 1 0 423.536 4.257 50 0 HIAARO Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387107 559003332 /nfs/dbraw/zinc/00/33/32/559003332.db2.gz LTFCWMZERYFMCR-XMMPIXPASA-N 1 0 406.505 4.139 50 0 HIAARO C[N@H+](CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CCCCC1 ZINC000033278933 559042304 /nfs/dbraw/zinc/04/23/04/559042304.db2.gz OTUUZJWRDJVQSQ-UHFFFAOYSA-N 1 0 404.514 4.398 50 0 HIAARO O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651594 559057253 /nfs/dbraw/zinc/05/72/53/559057253.db2.gz HGOXTRFIBXJEQB-UHFFFAOYSA-N 1 0 405.416 4.275 50 0 HIAARO Cc1nc[nH]c1CN(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095508119 559083459 /nfs/dbraw/zinc/08/34/59/559083459.db2.gz ATOXDKPJDAJMTA-UHFFFAOYSA-N 1 0 403.574 4.336 50 0 HIAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247741067 559114549 /nfs/dbraw/zinc/11/45/49/559114549.db2.gz OAKOVNVYZPJBSD-PMVMPFDFSA-N 1 0 409.526 4.050 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccs1 ZINC000011614680 559114609 /nfs/dbraw/zinc/11/46/09/559114609.db2.gz SNTFJJNMAWSALL-QGZVFWFLSA-N 1 0 402.903 4.005 50 0 HIAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247741064 559114613 /nfs/dbraw/zinc/11/46/13/559114613.db2.gz OAKOVNVYZPJBSD-ACIOBRDBSA-N 1 0 409.526 4.050 50 0 HIAARO CCC1CCC(C(=O)N[C@@H](C(=O)NCC[NH+](CC(C)C)CC(C)C)C(C)C)CC1 ZINC000004827228 559155609 /nfs/dbraw/zinc/15/56/09/559155609.db2.gz GNXHFHYUTUTLIQ-LZBANZJXSA-N 1 0 409.659 4.074 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000014198257 559156838 /nfs/dbraw/zinc/15/68/38/559156838.db2.gz USNGSFNMFRHCHW-UHFFFAOYSA-N 1 0 415.965 4.008 50 0 HIAARO C[NH+](C)C1(CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CCCCC1 ZINC000023484550 559176293 /nfs/dbraw/zinc/17/62/93/559176293.db2.gz BCGUCPUAVABRDW-NRFANRHFSA-N 1 0 421.585 4.073 50 0 HIAARO COc1cc(C[NH2+]CCCOc2ccccn2)ccc1OCc1ccc(Cl)nc1 ZINC000113397190 559180140 /nfs/dbraw/zinc/18/01/40/559180140.db2.gz BLSPFKSQGOAQKI-UHFFFAOYSA-N 1 0 413.905 4.276 50 0 HIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004903095 559200031 /nfs/dbraw/zinc/20/00/31/559200031.db2.gz UESPLQLIAMSYST-FQEVSTJZSA-N 1 0 405.498 4.161 50 0 HIAARO COc1ccc2cc3cc(C(=O)NCCC[N@H+](C)Cc4ccccc4)oc3nc2c1 ZINC000004908197 559201004 /nfs/dbraw/zinc/20/10/04/559201004.db2.gz QRDPAWUZPNKEQZ-UHFFFAOYSA-N 1 0 403.482 4.242 50 0 HIAARO CC(=O)c1cccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1 ZINC000004921946 559206829 /nfs/dbraw/zinc/20/68/29/559206829.db2.gz PFLICYKRNMWAAM-UHFFFAOYSA-N 1 0 401.466 4.066 50 0 HIAARO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000408518253 559213480 /nfs/dbraw/zinc/21/34/80/559213480.db2.gz XYAKTNPSOVVAQW-QPPBQGQZSA-N 1 0 422.569 4.322 50 0 HIAARO O[C@H](C[NH2+]C[C@@H]1CCCO1)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004982981 559223793 /nfs/dbraw/zinc/22/37/93/559223793.db2.gz XUFNDGLDAHPAQG-UXHICEINSA-N 1 0 410.341 4.229 50 0 HIAARO Cn1nc(-c2ccccc2F)c2cc(C(=O)NCC[N@H+](C)C3CCCCC3)sc21 ZINC000005034059 559231770 /nfs/dbraw/zinc/23/17/70/559231770.db2.gz CFFSUAXOCBCNMB-UHFFFAOYSA-N 1 0 414.550 4.435 50 0 HIAARO COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](C(C)C)CC2)cc1 ZINC000005092277 559244096 /nfs/dbraw/zinc/24/40/96/559244096.db2.gz BQKLTGSNVSKETD-QFIPXVFZSA-N 1 0 421.541 4.448 50 0 HIAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)COc3ccc(Cl)cc3)sc2c1 ZINC000005115001 559247184 /nfs/dbraw/zinc/24/71/84/559247184.db2.gz CSFBOYNRABAZMX-UHFFFAOYSA-N 1 0 403.935 4.232 50 0 HIAARO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000079013553 560540910 /nfs/dbraw/zinc/54/09/10/560540910.db2.gz XGSMYUUTTAQTDC-QHCPKHFHSA-N 1 0 412.599 4.479 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000061992872 560568823 /nfs/dbraw/zinc/56/88/23/560568823.db2.gz VHKAGAPLPOVTCQ-GVSOOPAKSA-N 1 0 412.549 4.262 50 0 HIAARO Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000526052355 560639665 /nfs/dbraw/zinc/63/96/65/560639665.db2.gz BHJAVPVHIGROFR-KSSFIOAISA-N 1 0 404.352 4.233 50 0 HIAARO Cc1nc(CN2CCC(C(=O)Nc3ccc4[nH]c(C5CCC5)nc4c3)CC2)cs1 ZINC000111038239 560891647 /nfs/dbraw/zinc/89/16/47/560891647.db2.gz FFJZDHAEEILSBC-UHFFFAOYSA-N 1 0 409.559 4.446 50 0 HIAARO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052496 560895018 /nfs/dbraw/zinc/89/50/18/560895018.db2.gz ZEBNWDZUHSRAOK-ZWKOTPCHSA-N 1 0 415.603 4.423 50 0 HIAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032302 568424702 /nfs/dbraw/zinc/42/47/02/568424702.db2.gz MXMAELGKYZODGL-UHFFFAOYSA-N 1 0 420.538 4.239 50 0 HIAARO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000048237043 568433091 /nfs/dbraw/zinc/43/30/91/568433091.db2.gz PCMKHSHIQMIDNP-HUUCEWRRSA-N 1 0 415.347 4.126 50 0 HIAARO O=C1OCCN1CCCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000048289839 568435098 /nfs/dbraw/zinc/43/50/98/568435098.db2.gz YNLMYVCXAOIPSQ-UHFFFAOYSA-N 1 0 419.978 4.028 50 0 HIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000021673213 568466727 /nfs/dbraw/zinc/46/67/27/568466727.db2.gz NDQPOIQOHZXPOX-NRFANRHFSA-N 1 0 410.514 4.412 50 0 HIAARO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327849 568472009 /nfs/dbraw/zinc/47/20/09/568472009.db2.gz OGCZGBGWOGXSLB-NRFANRHFSA-N 1 0 407.558 4.164 50 0 HIAARO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN2CC)cc1Br ZINC000022936941 568500723 /nfs/dbraw/zinc/50/07/23/568500723.db2.gz LLHATQDLIYDIRO-CYBMUJFWSA-N 1 0 420.189 4.184 50 0 HIAARO FC(F)(F)c1cnc(OCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(Cl)c1 ZINC000222130691 568514322 /nfs/dbraw/zinc/51/43/22/568514322.db2.gz BUHFHBODGWGIPT-MCIONIFRSA-N 1 0 412.930 4.492 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc12 ZINC000020114365 568589122 /nfs/dbraw/zinc/58/91/22/568589122.db2.gz VSHDWFOSOPECOC-UHFFFAOYSA-N 1 0 408.933 4.130 50 0 HIAARO O[C@@H](CSc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385160 568603083 /nfs/dbraw/zinc/60/30/83/568603083.db2.gz YYILJCASTDQTHM-MRXNPFEDSA-N 1 0 415.361 4.408 50 0 HIAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2SC3)CC1 ZINC000020414577 568605721 /nfs/dbraw/zinc/60/57/21/568605721.db2.gz XVHPRMMOUZPUSK-UHFFFAOYSA-N 1 0 415.628 4.168 50 0 HIAARO CCCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000020467813 568610653 /nfs/dbraw/zinc/61/06/53/568610653.db2.gz WZLKIJDWXQDSEL-UHFFFAOYSA-N 1 0 420.966 4.033 50 0 HIAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225504699 568644139 /nfs/dbraw/zinc/64/41/39/568644139.db2.gz WSSLPTABKIHBLQ-GFCCVEGCSA-N 1 0 417.884 4.457 50 0 HIAARO CCOc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020927240 568651566 /nfs/dbraw/zinc/65/15/66/568651566.db2.gz BQIFMKALOPBUNY-UHFFFAOYSA-N 1 0 410.543 4.247 50 0 HIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020933633 568652089 /nfs/dbraw/zinc/65/20/89/568652089.db2.gz VWLADNDPMFUYNO-FQEVSTJZSA-N 1 0 405.546 4.047 50 0 HIAARO CC[N@H+](CC(=O)N[C@H](C)c1cccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670393 568662487 /nfs/dbraw/zinc/66/24/87/568662487.db2.gz QKQJGCGHXVYPIF-IAGOWNOFSA-N 1 0 409.596 4.037 50 0 HIAARO Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000095972259 568671804 /nfs/dbraw/zinc/67/18/04/568671804.db2.gz CSVJAVPREICFQF-AZUAARDMSA-N 1 0 402.583 4.127 50 0 HIAARO CC(C)[S@@](=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000225758985 568671803 /nfs/dbraw/zinc/67/18/03/568671803.db2.gz MTFBKAWOTQJTNJ-PZGXJGMVSA-N 1 0 412.599 4.233 50 0 HIAARO Cc1ccc([C@@](O)(c2ccc(F)cc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170269 568676260 /nfs/dbraw/zinc/67/62/60/568676260.db2.gz ZPOSSQMHYNXGMX-IZZNHLLZSA-N 1 0 405.513 4.486 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000021174889 568676910 /nfs/dbraw/zinc/67/69/10/568676910.db2.gz OPCJYHKQPOZIRK-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO C[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156220 568699564 /nfs/dbraw/zinc/69/95/64/568699564.db2.gz TXXYCCYHVIPQLF-QLFBSQMISA-N 1 0 420.351 4.200 50 0 HIAARO C[C@@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000013988283 568719543 /nfs/dbraw/zinc/71/95/43/568719543.db2.gz WXWDNSFQAZMDED-NVXWUHKLSA-N 1 0 423.538 4.082 50 0 HIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420327 568720315 /nfs/dbraw/zinc/72/03/15/568720315.db2.gz FHWCVDLJGBHESL-MBNYWOFBSA-N 1 0 421.173 4.214 50 0 HIAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)cn2Cc2ccc(C)cc2)CC1 ZINC000096386194 568742672 /nfs/dbraw/zinc/74/26/72/568742672.db2.gz NDJSQEOLDNUFQU-UHFFFAOYSA-N 1 0 416.569 4.465 50 0 HIAARO Fc1cccc(Cl)c1Cn1nc(C[NH2+]C[C@@H]2CCCO2)c(-c2ccccc2)n1 ZINC000247510449 568745510 /nfs/dbraw/zinc/74/55/10/568745510.db2.gz IFEIXZQRDWHBHT-INIZCTEOSA-N 1 0 400.885 4.055 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000248177628 568748050 /nfs/dbraw/zinc/74/80/50/568748050.db2.gz WMUUHJGYWWHQIF-HNNXBMFYSA-N 1 0 405.329 4.161 50 0 HIAARO CC[N@H+](CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)Cc1ccccc1 ZINC000021714753 568748900 /nfs/dbraw/zinc/74/89/00/568748900.db2.gz ICSYDKMFPDCCBD-UHFFFAOYSA-N 1 0 409.440 4.497 50 0 HIAARO CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CC[NH+](Cc1ccccc1)CC2 ZINC000021868378 568756073 /nfs/dbraw/zinc/75/60/73/568756073.db2.gz UCWFSLCFGQIZAR-UHFFFAOYSA-N 1 0 418.537 4.404 50 0 HIAARO COc1ccccc1/C=C1\CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccccc1OC ZINC000002918872 568816548 /nfs/dbraw/zinc/81/65/48/568816548.db2.gz SRWZYMHWNVOURR-AKXFXYSNSA-N 1 0 400.482 4.485 50 0 HIAARO Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000002939949 568818952 /nfs/dbraw/zinc/81/89/52/568818952.db2.gz ICXDKQIWMNDUFS-UHFFFAOYSA-N 1 0 404.510 4.374 50 0 HIAARO COc1ccc(-c2c(C)oc3cc(OC[C@@H](O)C[NH+]4CCCCC4)ccc3c2=O)cc1 ZINC000003227713 568864513 /nfs/dbraw/zinc/86/45/13/568864513.db2.gz SMGPONMGGHRGOD-IBGZPJMESA-N 1 0 423.509 4.003 50 0 HIAARO Cc1ccc([N+]2=C3SCCCN3C[C@@]2(O)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000003239629 568865955 /nfs/dbraw/zinc/86/59/55/568865955.db2.gz YIHIRQBIRJSVKX-OAQYLSRUSA-N 1 0 405.490 4.076 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000012594936 568868758 /nfs/dbraw/zinc/86/87/58/568868758.db2.gz HQSGBOQFUQLBNY-RUZDIDTESA-N 1 0 423.557 4.374 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(OC(C)C)cc3)cc2C)CC1 ZINC000057970226 568871020 /nfs/dbraw/zinc/87/10/20/568871020.db2.gz XGVUPQACTADSBC-UHFFFAOYSA-N 1 0 410.562 4.246 50 0 HIAARO CSc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(=O)n(CC(C)C)c2c1 ZINC000299786045 568875450 /nfs/dbraw/zinc/87/54/50/568875450.db2.gz MQSQQQHFBYMWDE-IBGZPJMESA-N 1 0 424.566 4.309 50 0 HIAARO CCOCCC[NH2+]C1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000299792283 568876070 /nfs/dbraw/zinc/87/60/70/568876070.db2.gz FMLYGZOMZYMENC-FQEVSTJZSA-N 1 0 409.574 4.163 50 0 HIAARO COc1ccc(C[NH+]2CCC(NC(=O)C[C@@H](c3ccsc3)n3cccc3)CC2)cc1 ZINC000263588329 568883741 /nfs/dbraw/zinc/88/37/41/568883741.db2.gz RXDOJCHBLAFJJT-QHCPKHFHSA-N 1 0 423.582 4.319 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc3oc4ccccc4c3c2)[NH+](C)C)cc1 ZINC000012736358 568925473 /nfs/dbraw/zinc/92/54/73/568925473.db2.gz BTIHZNHRFAAPMH-JOCHJYFZSA-N 1 0 418.493 4.393 50 0 HIAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1c(C)nc2sc(C)cn12)c1ccsc1 ZINC000058954576 568934612 /nfs/dbraw/zinc/93/46/12/568934612.db2.gz LDXMHBLERWMAHX-LKGOPFMKSA-N 1 0 402.589 4.287 50 0 HIAARO Brc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc2c1OCCCO2 ZINC000084590743 568951672 /nfs/dbraw/zinc/95/16/72/568951672.db2.gz DVCSFEPZJHTOHG-UHFFFAOYSA-N 1 0 401.304 4.424 50 0 HIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 ZINC000084651615 568954778 /nfs/dbraw/zinc/95/47/78/568954778.db2.gz XFLCKTJQLLSWJB-UONOGXRCSA-N 1 0 411.365 4.111 50 0 HIAARO CC1(C)Cc2c(C(N)=O)c(NC(=O)Cc3cccc4ccccc43)sc2C(C)(C)[NH2+]1 ZINC000004275265 568962296 /nfs/dbraw/zinc/96/22/96/568962296.db2.gz ZMLOQRYVVGXINF-UHFFFAOYSA-N 1 0 421.566 4.341 50 0 HIAARO CCOC(=O)c1ccc(NC(=O)N(Cc2cccs2)C2CC[NH+](CC)CC2)cc1 ZINC000015679760 568966790 /nfs/dbraw/zinc/96/67/90/568966790.db2.gz JZVJQYPNFPKBFT-UHFFFAOYSA-N 1 0 415.559 4.443 50 0 HIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000008324554 568990928 /nfs/dbraw/zinc/99/09/28/568990928.db2.gz NNFIBBMKHCHWOC-DEOSSOPVSA-N 1 0 405.542 4.453 50 0 HIAARO O=C(CSc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430166 569002864 /nfs/dbraw/zinc/00/28/64/569002864.db2.gz XUVVWNJLYYFTDF-UHFFFAOYSA-N 1 0 419.388 4.453 50 0 HIAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000026121767 569017523 /nfs/dbraw/zinc/01/75/23/569017523.db2.gz IPIVESAZDQKZOR-UHFFFAOYSA-N 1 0 406.530 4.306 50 0 HIAARO COC(=O)c1ccc(C[NH+]2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000090567244 569041175 /nfs/dbraw/zinc/04/11/75/569041175.db2.gz BZRFDHURRLFBJX-UHFFFAOYSA-N 1 0 417.387 4.141 50 0 HIAARO O=C(Nc1ccc(F)cc1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000035598045 569045768 /nfs/dbraw/zinc/04/57/68/569045768.db2.gz PTBGKKQJJZYLSS-UHFFFAOYSA-N 1 0 405.477 4.187 50 0 HIAARO CC(C)n1c2ccccc2nc1[C@@H](C)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000241846609 569054904 /nfs/dbraw/zinc/05/49/04/569054904.db2.gz SMEQSIAYBSXUKS-AOIWGVFYSA-N 1 0 406.530 4.296 50 0 HIAARO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000089420075 569060115 /nfs/dbraw/zinc/06/01/15/569060115.db2.gz FFYYNQPIBDUSQY-XRODADMRSA-N 1 0 420.553 4.170 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000064472987 569063700 /nfs/dbraw/zinc/06/37/00/569063700.db2.gz LRVBGOFCFRSSHL-UHFFFAOYSA-N 1 0 403.530 4.349 50 0 HIAARO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000089559511 569070291 /nfs/dbraw/zinc/07/02/91/569070291.db2.gz QSDIHCXKEWFESO-UHFFFAOYSA-N 1 0 416.934 4.393 50 0 HIAARO COc1cccc([C@H](C)NC(=O)C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 ZINC000064669603 569078827 /nfs/dbraw/zinc/07/88/27/569078827.db2.gz FDAMKRGSUBKNLP-SFHVURJKSA-N 1 0 405.542 4.276 50 0 HIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036096108 569089664 /nfs/dbraw/zinc/08/96/64/569089664.db2.gz TWRUNRIDYLVZSQ-JOCHJYFZSA-N 1 0 401.547 4.130 50 0 HIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)c1OC ZINC000036097275 569090219 /nfs/dbraw/zinc/09/02/19/569090219.db2.gz AWDYQYSRDZHKHL-QFIPXVFZSA-N 1 0 401.547 4.130 50 0 HIAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000036103528 569092083 /nfs/dbraw/zinc/09/20/83/569092083.db2.gz XAOVYEFVHVETSC-IBGZPJMESA-N 1 0 401.503 4.338 50 0 HIAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000036103526 569092227 /nfs/dbraw/zinc/09/22/27/569092227.db2.gz XAOVYEFVHVETSC-LJQANCHMSA-N 1 0 401.503 4.338 50 0 HIAARO Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)CO2 ZINC000006759151 569113146 /nfs/dbraw/zinc/11/31/46/569113146.db2.gz XJFNLAGTRQBWTL-UHFFFAOYSA-N 1 0 410.558 4.441 50 0 HIAARO O=c1oc2c(ccc3c2CN(C2CC[NH+](Cc4ccccc4)CC2)CO3)c2c1CCC2 ZINC000006760590 569113480 /nfs/dbraw/zinc/11/34/80/569113480.db2.gz OIJYLNNIQLTRFO-UHFFFAOYSA-N 1 0 416.521 4.098 50 0 HIAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](CCC(C)C)C[C@H](O)COC ZINC000036249760 569119218 /nfs/dbraw/zinc/11/92/18/569119218.db2.gz ANAKONFSWNVVDB-FQEVSTJZSA-N 1 0 421.557 4.182 50 0 HIAARO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301598 569128009 /nfs/dbraw/zinc/12/80/09/569128009.db2.gz XAUYJQZGQUGYLQ-HXUWFJFHSA-N 1 0 409.530 4.097 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036305906 569129688 /nfs/dbraw/zinc/12/96/88/569129688.db2.gz OXGGICMHJMKDEE-GOSISDBHSA-N 1 0 409.530 4.481 50 0 HIAARO COc1c(Br)cc(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1Br ZINC000036325308 569137406 /nfs/dbraw/zinc/13/74/06/569137406.db2.gz ROKLRDCMEMPVSB-VIFPVBQESA-N 1 0 417.145 4.113 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025816 569156483 /nfs/dbraw/zinc/15/64/83/569156483.db2.gz VQVLJMIFOCLEDO-UHFFFAOYSA-N 1 0 421.589 4.494 50 0 HIAARO COc1ccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC000006877311 569164056 /nfs/dbraw/zinc/16/40/56/569164056.db2.gz VQACVTHOZCHXPA-UHFFFAOYSA-N 1 0 409.530 4.006 50 0 HIAARO COc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000006877386 569164239 /nfs/dbraw/zinc/16/42/39/569164239.db2.gz CMUHIQSDLUAMIZ-SFHVURJKSA-N 1 0 409.530 4.006 50 0 HIAARO CCc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2nc1CC ZINC000006917901 569181410 /nfs/dbraw/zinc/18/14/10/569181410.db2.gz YAOKWSMWJABBQK-UHFFFAOYSA-N 1 0 402.542 4.149 50 0 HIAARO C[N@H+](CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)C1CCCCC1 ZINC000006939893 569185587 /nfs/dbraw/zinc/18/55/87/569185587.db2.gz FHXZRLRSEGERFE-UHFFFAOYSA-N 1 0 423.536 4.187 50 0 HIAARO CC[N@H+](CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000007001241 569198786 /nfs/dbraw/zinc/19/87/86/569198786.db2.gz BBTJHLCHRWJLDS-UHFFFAOYSA-N 1 0 420.557 4.301 50 0 HIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000036556783 569199175 /nfs/dbraw/zinc/19/91/75/569199175.db2.gz PIVDIKKSTPKCDY-AEFFLSMTSA-N 1 0 406.555 4.252 50 0 HIAARO COc1ccc(C(OC[C@H](O)C[N@H+](C)C2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000007015465 569200883 /nfs/dbraw/zinc/20/08/83/569200883.db2.gz LWBUFIVLKKMBJZ-JOCHJYFZSA-N 1 0 413.558 4.435 50 0 HIAARO c1ccc2c(c1)c(-c1nc(C3CC3)no1)nnc2N1CC[NH+](C2CCCCC2)CC1 ZINC000065258262 569210078 /nfs/dbraw/zinc/21/00/78/569210078.db2.gz SXECJBATYHMHPX-UHFFFAOYSA-N 1 0 404.518 4.012 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000007263643 569230793 /nfs/dbraw/zinc/23/07/93/569230793.db2.gz QCZJPPXKIDBUSR-QFIPXVFZSA-N 1 0 404.510 4.297 50 0 HIAARO Cc1nn(C(F)F)c(C)c1CC(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000170609305 569245017 /nfs/dbraw/zinc/24/50/17/569245017.db2.gz DHMLLPLZMLGYKB-VFNWGFHPSA-N 1 0 409.452 4.156 50 0 HIAARO CC(=O)c1ccc(OCCCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000010026489 569252872 /nfs/dbraw/zinc/25/28/72/569252872.db2.gz ZSMQZELQYTUUSK-UHFFFAOYSA-N 1 0 400.563 4.353 50 0 HIAARO Cc1cccc(Oc2ccc(NC(=O)N(C)CC3CC[NH+](C[C@H](C)O)CC3)cc2)c1 ZINC000089677837 569262341 /nfs/dbraw/zinc/26/23/41/569262341.db2.gz NTYZKBCZKUUALO-IBGZPJMESA-N 1 0 411.546 4.344 50 0 HIAARO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000089887971 569267731 /nfs/dbraw/zinc/26/77/31/569267731.db2.gz BRTRQCKQXGUAQK-HNAYVOBHSA-N 1 0 421.379 4.325 50 0 HIAARO COc1ccccc1N1CCN(C2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000252483094 569289204 /nfs/dbraw/zinc/28/92/04/569289204.db2.gz DUWJDKNQIFBGSR-UHFFFAOYSA-N 1 0 405.542 4.228 50 0 HIAARO CC(C)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252515540 569292143 /nfs/dbraw/zinc/29/21/43/569292143.db2.gz LFSRMIGYHJCRRK-LEWJYISDSA-N 1 0 424.969 4.066 50 0 HIAARO Cc1cc(N2CCC(CNC(=O)CCc3ccc(C(F)(F)F)cc3)CC2)cc[nH+]1 ZINC000253407282 569366067 /nfs/dbraw/zinc/36/60/67/569366067.db2.gz VUMHGXHVWHUPEH-UHFFFAOYSA-N 1 0 405.464 4.374 50 0 HIAARO CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002405598 569396036 /nfs/dbraw/zinc/39/60/36/569396036.db2.gz ZMMCDIKLSSWXRG-QFIPXVFZSA-N 1 0 420.509 4.079 50 0 HIAARO CC(C)Oc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002407616 569396369 /nfs/dbraw/zinc/39/63/69/569396369.db2.gz PWYRQABEYQWKPH-JOCHJYFZSA-N 1 0 420.509 4.077 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1OC ZINC000002418924 569397645 /nfs/dbraw/zinc/39/76/45/569397645.db2.gz BEKJZQLJZNGADP-JOCHJYFZSA-N 1 0 420.509 4.079 50 0 HIAARO COc1ccc(OC)c(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000013363840 569412084 /nfs/dbraw/zinc/41/20/84/569412084.db2.gz KPHFJQCTJOAZMM-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)C1 ZINC000013369585 569412645 /nfs/dbraw/zinc/41/26/45/569412645.db2.gz BELAQFGKSPUPNO-BGYRXZFFSA-N 1 0 404.558 4.188 50 0 HIAARO O=C(CSc1ccncc1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000019227581 569414487 /nfs/dbraw/zinc/41/44/87/569414487.db2.gz XHSSTOJMHBPDBM-XMMPIXPASA-N 1 0 409.599 4.121 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000079192781 569429312 /nfs/dbraw/zinc/42/93/12/569429312.db2.gz IFBCSZDQJPTZEC-JTHBVZDNSA-N 1 0 416.521 4.454 50 0 HIAARO C[NH+](C)CCn1c(=O)c2ccccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000067258716 571057825 /nfs/dbraw/zinc/05/78/25/571057825.db2.gz QLYNYCLTRHQFSE-UHFFFAOYSA-N 1 0 407.461 4.269 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000008916958 571152785 /nfs/dbraw/zinc/15/27/85/571152785.db2.gz NCBJOFXHHPIOQK-LJQANCHMSA-N 1 0 403.320 4.025 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000008917210 571153269 /nfs/dbraw/zinc/15/32/69/571153269.db2.gz GBOZPIOZLGCQOD-HXUWFJFHSA-N 1 0 402.922 4.314 50 0 HIAARO Cc1ccc2nc(C)c(C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC000040155913 571203178 /nfs/dbraw/zinc/20/31/78/571203178.db2.gz QYLIIOWLSVGPGU-UHFFFAOYSA-N 1 0 416.569 4.184 50 0 HIAARO Cc1cc2sc(N3CCC[C@H](C(=O)NCC[N@H+]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000245276814 571222303 /nfs/dbraw/zinc/22/23/03/571222303.db2.gz WSCQJELSEOAECD-MOPGFXCFSA-N 1 0 414.619 4.120 50 0 HIAARO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000245329664 571225485 /nfs/dbraw/zinc/22/54/85/571225485.db2.gz VHHOTAFBXIDPJK-WZONZLPQSA-N 1 0 421.541 4.256 50 0 HIAARO NC(=O)c1cccc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000069630477 571235363 /nfs/dbraw/zinc/23/53/63/571235363.db2.gz YZOOUXBEVNVTTO-LJQANCHMSA-N 1 0 422.916 4.259 50 0 HIAARO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCCC[NH+](C)C)c(=O)oc12 ZINC000009253383 571242946 /nfs/dbraw/zinc/24/29/46/571242946.db2.gz BSPJGUIDVJXQSG-UHFFFAOYSA-N 1 0 412.530 4.064 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000009328282 571248333 /nfs/dbraw/zinc/24/83/33/571248333.db2.gz HNBJRZWZNGITGH-JOCHJYFZSA-N 1 0 422.500 4.436 50 0 HIAARO COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000069920161 571249879 /nfs/dbraw/zinc/24/98/79/571249879.db2.gz GSOFZCWUOYGFMI-FQEVSTJZSA-N 1 0 423.395 4.079 50 0 HIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(OC)ccc1Br ZINC000010283587 571299322 /nfs/dbraw/zinc/29/93/22/571299322.db2.gz MUGRRKWFAUVEEK-UHFFFAOYSA-N 1 0 405.336 4.230 50 0 HIAARO COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3C23CC[NH+](C)CC3)cc1 ZINC000020865022 571314822 /nfs/dbraw/zinc/31/48/22/571314822.db2.gz XVUYMYHGZSIKJU-UHFFFAOYSA-N 1 0 416.525 4.455 50 0 HIAARO Cc1cccc(OCc2nc(CN(CCC[NH+](C)C)C(=O)C3CC3)cs2)c1C ZINC000036114323 571317310 /nfs/dbraw/zinc/31/73/10/571317310.db2.gz RJXYQDIEVUUDSA-UHFFFAOYSA-N 1 0 401.576 4.029 50 0 HIAARO Cc1nc2scc(-c3cccs3)c2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000014247675 721918153 /nfs/dbraw/zinc/91/81/53/721918153.db2.gz YIIHHAHAMYICJV-HNNXBMFYSA-N 1 0 400.573 4.029 50 0 HIAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H]([NH2+]CCC1=CCCCC1)CC3 ZINC000011980989 845845456 /nfs/dbraw/zinc/84/54/56/845845456.db2.gz AFYSAGJTUVURNN-GOSISDBHSA-N 1 0 420.582 4.239 50 0 HIAARO C[C@H](CCc1ccc(O)cc1)[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000012075914 845852274 /nfs/dbraw/zinc/85/22/74/845852274.db2.gz IJPITXYTHVZKBY-HXUWFJFHSA-N 1 0 422.569 4.493 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012302298 845867231 /nfs/dbraw/zinc/86/72/31/845867231.db2.gz OJIVNLDNODBATD-UHFFFAOYSA-N 1 0 403.526 4.465 50 0 HIAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@H]([NH2+]C1CCCC1)CC3 ZINC000012452872 845872648 /nfs/dbraw/zinc/87/26/48/845872648.db2.gz CKRVXTYZLRSWFQ-GOSISDBHSA-N 1 0 405.567 4.187 50 0 HIAARO CN(C)Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)o1 ZINC000012574283 845877279 /nfs/dbraw/zinc/87/72/79/845877279.db2.gz LYHCOPNANNCLQU-UHFFFAOYSA-N 1 0 417.981 4.021 50 0 HIAARO COCCN(Cc1ccc(OC)c(C)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012585451 845877599 /nfs/dbraw/zinc/87/75/99/845877599.db2.gz APKZKSYCHKLABJ-HSZRJFAPSA-N 1 0 422.613 4.331 50 0 HIAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)N(C)C)C[N@@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000014535130 845956505 /nfs/dbraw/zinc/95/65/05/845956505.db2.gz YVWNTTNZOLQDLJ-XUZZJYLKSA-N 1 0 417.553 4.149 50 0 HIAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000014732613 845975367 /nfs/dbraw/zinc/97/53/67/845975367.db2.gz MYCXMKGVKHDXKI-NRFANRHFSA-N 1 0 420.601 4.098 50 0 HIAARO C[NH+](C)CCOc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(F)cc2)c1 ZINC000014987163 845996581 /nfs/dbraw/zinc/99/65/81/845996581.db2.gz XOZUYNWZIJCYEP-UHFFFAOYSA-N 1 0 407.489 4.004 50 0 HIAARO COc1cc(C[NH2+][C@@H]2CCCN(c3nc(C)c4cc(F)ccc4n3)CC2)cc(OC)c1 ZINC000014986122 845996783 /nfs/dbraw/zinc/99/67/83/845996783.db2.gz ANZPFUOIOKYJMB-LJQANCHMSA-N 1 0 424.520 4.243 50 0 HIAARO CN(C)c1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C/C=C/c4ccccc4)CC[C@H]32)c1 ZINC000015000787 845998046 /nfs/dbraw/zinc/99/80/46/845998046.db2.gz VNQKWXXSQPTZJR-RHZAOYSNSA-N 1 0 403.570 4.393 50 0 HIAARO CSCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000015065593 846005205 /nfs/dbraw/zinc/00/52/05/846005205.db2.gz PKIOTSXPXJPKGN-JOCHJYFZSA-N 1 0 402.535 4.410 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1CC1(c2ccccc2)CCOCC1 ZINC000019884955 846373860 /nfs/dbraw/zinc/37/38/60/846373860.db2.gz JROPFMRHHMIWTJ-JOCHJYFZSA-N 1 0 410.533 4.045 50 0 HIAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3-c3ccco3)C[C@@H]2CCO)c(F)c1 ZINC000020168299 846381338 /nfs/dbraw/zinc/38/13/38/846381338.db2.gz XUOYXLVCKRUOSL-NRFANRHFSA-N 1 0 424.516 4.163 50 0 HIAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](C4CCSCC4)C3)CC2)c1 ZINC000020295698 846381943 /nfs/dbraw/zinc/38/19/43/846381943.db2.gz ILPKOUBFJPTYDT-FQEVSTJZSA-N 1 0 413.553 4.187 50 0 HIAARO c1ccc(C(c2noc(CN3CC[NH+](C4CCCC4)CC3)n2)c2ccccc2)cc1 ZINC000022851329 846628748 /nfs/dbraw/zinc/62/87/48/846628748.db2.gz HEXFZVANWOGHHI-UHFFFAOYSA-N 1 0 402.542 4.310 50 0 HIAARO OCCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043056975 848379955 /nfs/dbraw/zinc/37/99/55/848379955.db2.gz DFFYTEKFCBRMON-LJQANCHMSA-N 1 0 411.933 4.481 50 0 HIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183144 849984469 /nfs/dbraw/zinc/98/44/69/849984469.db2.gz NTYQWRIBWUEJMS-FQEVSTJZSA-N 1 0 400.485 4.334 50 0 HIAARO COc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849988916 /nfs/dbraw/zinc/98/89/16/849988916.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 1 0 402.966 4.441 50 0 HIAARO O=C(c1csc2c1CCCC2)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055575687 850060283 /nfs/dbraw/zinc/06/02/83/850060283.db2.gz DZSSWCAAXCKQSX-FQEVSTJZSA-N 1 0 409.599 4.054 50 0 HIAARO O=C(NC1CC1)c1ccccc1OC[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000169765278 853658607 /nfs/dbraw/zinc/65/86/07/853658607.db2.gz XARMDVBSAFNBKR-SFHVURJKSA-N 1 0 403.526 4.351 50 0 HIAARO Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H]([N@H+](C)Cc2ccccc2)CCO3)s1 ZINC000169773932 853662008 /nfs/dbraw/zinc/66/20/08/853662008.db2.gz AWOSHCHMTURKOX-HXUWFJFHSA-N 1 0 413.587 4.046 50 0 HIAARO Cc1nnc([C@H]2CC3(CN2Cc2cccnc2)CC[NH+](CCc2ccccc2)CC3)o1 ZINC000257188593 854233709 /nfs/dbraw/zinc/23/37/09/854233709.db2.gz FUJXZBUKFVFSSS-HSZRJFAPSA-N 1 0 417.557 4.045 50 0 HIAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1ccccc1Cl ZINC000299764764 854280843 /nfs/dbraw/zinc/28/08/43/854280843.db2.gz DVYUPOUSOIGAJN-UPVQGACJSA-N 1 0 421.972 4.362 50 0 HIAARO COc1ccc(C[NH2+][C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)CC2)c(OC)c1 ZINC000299789837 854282007 /nfs/dbraw/zinc/28/20/07/854282007.db2.gz ABAOUNZWZBBKPC-HXUWFJFHSA-N 1 0 420.557 4.413 50 0 HIAARO COc1cccc(C[NH+]2CCC(Cc3ccc(CCC(=O)N4CCCC4)cc3)CC2)n1 ZINC000575558997 948678734 /nfs/dbraw/zinc/67/87/34/948678734.db2.gz LDTGFGCULYELGV-UHFFFAOYSA-N 1 0 421.585 4.100 50 0 HIAARO CC(C)[N@@H+]1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000575557761 948679938 /nfs/dbraw/zinc/67/99/38/948679938.db2.gz JGGCHIARQFGALM-ZCYQVOJMSA-N 1 0 410.533 4.147 50 0 HIAARO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3C)CC2)cc1Br ZINC000000720433 132231994 /nfs/dbraw/zinc/23/19/94/132231994.db2.gz OFJRGBVOEWKZBC-UHFFFAOYSA-N 1 0 416.363 4.217 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000003552991 132266813 /nfs/dbraw/zinc/26/68/13/132266813.db2.gz XWLWRBKMGNYSIG-UHFFFAOYSA-N 1 0 408.727 4.107 50 0 HIAARO CSc1cccc(NC(=S)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000004791656 132288656 /nfs/dbraw/zinc/28/86/56/132288656.db2.gz MDCBIIQQZWBRAU-UHFFFAOYSA-N 1 0 418.607 4.046 50 0 HIAARO c1cc(C[NH2+]Cc2cccnc2N2CCc3ccccc3C2)n(-c2nccs2)c1 ZINC000011879217 132351591 /nfs/dbraw/zinc/35/15/91/132351591.db2.gz JGJLPLVMZHCYIV-UHFFFAOYSA-N 1 0 401.539 4.181 50 0 HIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000012383628 132359397 /nfs/dbraw/zinc/35/93/97/132359397.db2.gz FOKVRSQIASQCIA-INIZCTEOSA-N 1 0 408.464 4.476 50 0 HIAARO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032902480 518670100 /nfs/dbraw/zinc/67/01/00/518670100.db2.gz BMEXOATWHPDHGI-HTAPYJJXSA-N 1 0 423.944 4.108 50 0 HIAARO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032902482 518670495 /nfs/dbraw/zinc/67/04/95/518670495.db2.gz BMEXOATWHPDHGI-JTSKRJEESA-N 1 0 423.944 4.108 50 0 HIAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1cccc(C)c1 ZINC000040744048 520718958 /nfs/dbraw/zinc/71/89/58/520718958.db2.gz HCKDRNUZWRLBIP-HNNXBMFYSA-N 1 0 408.336 4.206 50 0 HIAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040738015 520724252 /nfs/dbraw/zinc/72/42/52/520724252.db2.gz KVZFNJXTGJBNGC-UHFFFAOYSA-N 1 0 405.498 4.096 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccccc1)c1ccccc1Cl ZINC000032316134 520832115 /nfs/dbraw/zinc/83/21/15/520832115.db2.gz MIXNQBBWZCLGQO-VXKWHMMOSA-N 1 0 415.965 4.107 50 0 HIAARO CCC(=O)Nc1nc2ccc(CC(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2s1 ZINC000032959695 521229314 /nfs/dbraw/zinc/22/93/14/521229314.db2.gz BZXXDLWHTCEGGQ-UHFFFAOYSA-N 1 0 422.554 4.422 50 0 HIAARO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000040720590 521998043 /nfs/dbraw/zinc/99/80/43/521998043.db2.gz FJMLEXUSLKWNCO-UHFFFAOYSA-N 1 0 401.309 4.419 50 0 HIAARO COc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccccc1Cl ZINC000040744857 522446907 /nfs/dbraw/zinc/44/69/07/522446907.db2.gz SXQZRASFRVGWDN-UHFFFAOYSA-N 1 0 414.727 4.162 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1C ZINC000040720578 522447273 /nfs/dbraw/zinc/44/72/73/522447273.db2.gz SLMGTMGPESKPPV-UHFFFAOYSA-N 1 0 418.965 4.048 50 0 HIAARO CCn1c(=S)n(CN2CC[NH+](CCC(C)C)CC2)nc1-c1ccc(Cl)cc1 ZINC000032935408 523113745 /nfs/dbraw/zinc/11/37/45/523113745.db2.gz NWODCNVQTXIBGJ-UHFFFAOYSA-N 1 0 408.015 4.376 50 0 HIAARO COc1ccc(-n2cc(CN3CC[C@@H]([NH+](C)C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072424673 523329949 /nfs/dbraw/zinc/32/99/49/523329949.db2.gz BOFBVHZQVDJIRZ-LJQANCHMSA-N 1 0 410.949 4.337 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+](C)C)cc1OC ZINC000032622172 525184234 /nfs/dbraw/zinc/18/42/34/525184234.db2.gz WHMDVDVKBZZRRF-HXUWFJFHSA-N 1 0 423.513 4.008 50 0 HIAARO Cc1noc(-c2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc2)n1 ZINC000032908323 526450443 /nfs/dbraw/zinc/45/04/43/526450443.db2.gz ZNONBQSKNASGCV-LJQANCHMSA-N 1 0 410.543 4.310 50 0 HIAARO OCCOCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735556 527556474 /nfs/dbraw/zinc/55/64/74/527556474.db2.gz NLBIAVWMJNLXON-UHFFFAOYSA-N 1 0 403.881 4.310 50 0 HIAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000001165477 557220587 /nfs/dbraw/zinc/22/05/87/557220587.db2.gz CPRKRUOFGDCWSY-UHFFFAOYSA-N 1 0 415.331 4.495 50 0 HIAARO CC[NH+](CC)CCCNC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000002489063 557352027 /nfs/dbraw/zinc/35/20/27/557352027.db2.gz AVKYTQYFMOFPHN-UHFFFAOYSA-N 1 0 415.488 4.104 50 0 HIAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000034683152 557385828 /nfs/dbraw/zinc/38/58/28/557385828.db2.gz AGJRXSQBMRCKSO-UHFFFAOYSA-N 1 0 407.539 4.463 50 0 HIAARO C[C@@H](C(=O)NC1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684516 557387639 /nfs/dbraw/zinc/38/76/39/557387639.db2.gz SAZRJXXCGHOQLI-NRFANRHFSA-N 1 0 405.586 4.231 50 0 HIAARO CCCC[NH+](CCCC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004425178 557554179 /nfs/dbraw/zinc/55/41/79/557554179.db2.gz KBZANDYJCWKRDD-QFIPXVFZSA-N 1 0 418.603 4.145 50 0 HIAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004652270 557576077 /nfs/dbraw/zinc/57/60/77/557576077.db2.gz AJNAEIXAYOLDTI-UHFFFAOYSA-N 1 0 418.585 4.216 50 0 HIAARO CCc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)sc2c1 ZINC000004757391 557594614 /nfs/dbraw/zinc/59/46/14/557594614.db2.gz PHIAKOLUCTYKQR-UHFFFAOYSA-N 1 0 414.619 4.067 50 0 HIAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000019743693 558264168 /nfs/dbraw/zinc/26/41/68/558264168.db2.gz OGDQANYWOLQFNA-KRWDZBQOSA-N 1 0 405.498 4.182 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c(C)c1 ZINC000011814340 558278817 /nfs/dbraw/zinc/27/88/17/558278817.db2.gz NIDCJZUACYCXBI-QGZVFWFLSA-N 1 0 418.969 4.330 50 0 HIAARO CCCn1ncc(C[NH+]2CCC(CCOc3ccccc3)(C(=O)OCC)CC2)c1C ZINC000011817746 558280946 /nfs/dbraw/zinc/28/09/46/558280946.db2.gz FLSJERWRDXOSNN-UHFFFAOYSA-N 1 0 413.562 4.216 50 0 HIAARO CCCCc1ncc(C[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)[nH]1 ZINC000011820262 558283700 /nfs/dbraw/zinc/28/37/00/558283700.db2.gz VSJUAFBJEKRLFF-UHFFFAOYSA-N 1 0 400.542 4.200 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011838954 558285711 /nfs/dbraw/zinc/28/57/11/558285711.db2.gz YOFBFYBPYNVMEJ-SFHVURJKSA-N 1 0 408.973 4.367 50 0 HIAARO COc1ccc(CCC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1 ZINC000011873462 558291204 /nfs/dbraw/zinc/29/12/04/558291204.db2.gz VIHKCTPFTMAAQY-QFIPXVFZSA-N 1 0 412.549 4.180 50 0 HIAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000011873424 558291248 /nfs/dbraw/zinc/29/12/48/558291248.db2.gz FSFLHNGZBXNAIY-KRWDZBQOSA-N 1 0 408.995 4.361 50 0 HIAARO CSCCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012026055 558310231 /nfs/dbraw/zinc/31/02/31/558310231.db2.gz BXYXMWFVUDYNSN-KRWDZBQOSA-N 1 0 402.526 4.171 50 0 HIAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012049379 558313647 /nfs/dbraw/zinc/31/36/47/558313647.db2.gz CESVNUOWKPJCMA-AREMUKBSSA-N 1 0 410.577 4.150 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000012051809 558314386 /nfs/dbraw/zinc/31/43/86/558314386.db2.gz ADSZDSAFGHEMGK-IIBYNOLFSA-N 1 0 414.933 4.359 50 0 HIAARO Cc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccc4[nH]ccc4c3)O2)CC1 ZINC000012055268 558315626 /nfs/dbraw/zinc/31/56/26/558315626.db2.gz ABRIRXWCMRXDNC-HSZRJFAPSA-N 1 0 417.553 4.420 50 0 HIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012055968 558315822 /nfs/dbraw/zinc/31/58/22/558315822.db2.gz JHXXUHUANQWNOC-AWEZNQCLSA-N 1 0 420.893 4.340 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F ZINC000012090915 558324223 /nfs/dbraw/zinc/32/42/23/558324223.db2.gz PYKAFPKIRLJGSO-HXUWFJFHSA-N 1 0 400.513 4.311 50 0 HIAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000020208974 558347074 /nfs/dbraw/zinc/34/70/74/558347074.db2.gz GDYJVISPPYIQLT-NRFANRHFSA-N 1 0 404.514 4.032 50 0 HIAARO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(C)c1O ZINC000012201698 558351467 /nfs/dbraw/zinc/35/14/67/558351467.db2.gz DHXIJRBOHRSJRC-FQEVSTJZSA-N 1 0 404.514 4.045 50 0 HIAARO O[C@H](COc1cccc(Oc2ccccc2)c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020406659 558360237 /nfs/dbraw/zinc/36/02/37/558360237.db2.gz NFMMYXVBPBFJNN-QFIPXVFZSA-N 1 0 404.510 4.041 50 0 HIAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012304738 558373881 /nfs/dbraw/zinc/37/38/81/558373881.db2.gz SJDFIVHPKSCTGP-UHFFFAOYSA-N 1 0 406.534 4.095 50 0 HIAARO O=C(c1ccccc1)c1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020500144 558380683 /nfs/dbraw/zinc/38/06/83/558380683.db2.gz IBQDWOLMGPOHNG-UHFFFAOYSA-N 1 0 400.522 4.114 50 0 HIAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c(OC)c1 ZINC000012385197 558394286 /nfs/dbraw/zinc/39/42/86/558394286.db2.gz OAUZGOVIXFPKCR-FQEVSTJZSA-N 1 0 402.579 4.393 50 0 HIAARO COc1cc(C[NH+]2CCC(CCC(=O)Nc3cccc(C)c3)CC2)cc2c1OCO2 ZINC000012385658 558394446 /nfs/dbraw/zinc/39/44/46/558394446.db2.gz JRLJIAMCNBERFE-UHFFFAOYSA-N 1 0 410.514 4.363 50 0 HIAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000012431632 558406244 /nfs/dbraw/zinc/40/62/44/558406244.db2.gz XADLRCJPKYMMSH-HSZRJFAPSA-N 1 0 406.570 4.297 50 0 HIAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000012432679 558407140 /nfs/dbraw/zinc/40/71/40/558407140.db2.gz VIEWIVJMUPBMNB-UHFFFAOYSA-N 1 0 401.526 4.047 50 0 HIAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000012439624 558411004 /nfs/dbraw/zinc/41/10/04/558411004.db2.gz OBJGSAJOZZMMJY-UHFFFAOYSA-N 1 0 420.532 4.038 50 0 HIAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012440291 558411449 /nfs/dbraw/zinc/41/14/49/558411449.db2.gz WIMOQNNYGHSPBT-OAHLLOKOSA-N 1 0 422.476 4.248 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012457411 558417808 /nfs/dbraw/zinc/41/78/08/558417808.db2.gz GFTMZGPWUCWJCF-UHFFFAOYSA-N 1 0 403.526 4.260 50 0 HIAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874888 558418930 /nfs/dbraw/zinc/41/89/30/558418930.db2.gz CDGXHEZKMWFYRX-UHFFFAOYSA-N 1 0 418.965 4.048 50 0 HIAARO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCO2)cc1Br ZINC000020926763 558423646 /nfs/dbraw/zinc/42/36/46/558423646.db2.gz ARKIFDIGLPQKBS-GFCCVEGCSA-N 1 0 407.146 4.269 50 0 HIAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012571599 558429430 /nfs/dbraw/zinc/42/94/30/558429430.db2.gz NDLFSCBWJCBHOS-FQEVSTJZSA-N 1 0 420.532 4.335 50 0 HIAARO COC[C@H]1CCN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)C1 ZINC000012571447 558429465 /nfs/dbraw/zinc/42/94/65/558429465.db2.gz BIHRMNWDMLXJSM-KRWDZBQOSA-N 1 0 422.997 4.338 50 0 HIAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C/C=C/c3ccco3)CC2)c1 ZINC000012580219 558432347 /nfs/dbraw/zinc/43/23/47/558432347.db2.gz KTRHNVFYGVBSGL-GQCTYLIASA-N 1 0 410.514 4.081 50 0 HIAARO CN(C(=O)c1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012583897 558433470 /nfs/dbraw/zinc/43/34/70/558433470.db2.gz VKGLAEALONKRBP-DEOSSOPVSA-N 1 0 402.542 4.042 50 0 HIAARO COCc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)ccc1OC ZINC000012587413 558434384 /nfs/dbraw/zinc/43/43/84/558434384.db2.gz HNOOJNWCSHIPRM-GOSISDBHSA-N 1 0 401.478 4.084 50 0 HIAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)Cc1ccccc1C ZINC000012596395 558438036 /nfs/dbraw/zinc/43/80/36/558438036.db2.gz IUMLKLCZYXWJDO-UHFFFAOYSA-N 1 0 412.549 4.064 50 0 HIAARO CSc1ccc(CNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000021663507 558445231 /nfs/dbraw/zinc/44/52/31/558445231.db2.gz DKGWQEPOSCWAEC-UHFFFAOYSA-N 1 0 401.601 4.312 50 0 HIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@H]2COCCO2)c(C)s1 ZINC000012707540 558450577 /nfs/dbraw/zinc/45/05/77/558450577.db2.gz BDMJOOVFSWMMOK-SFHVURJKSA-N 1 0 415.534 4.204 50 0 HIAARO C[NH+](C)CCN(C(=O)CCOc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000004359318 558450702 /nfs/dbraw/zinc/45/07/02/558450702.db2.gz XMGDAHLKZLCITJ-UHFFFAOYSA-N 1 0 403.935 4.313 50 0 HIAARO O=C(Cc1ccccc1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012715469 558454882 /nfs/dbraw/zinc/45/48/82/558454882.db2.gz GUPIQXSZHQLKPV-XMMPIXPASA-N 1 0 424.560 4.288 50 0 HIAARO O=C(CCc1ncc(-c2ccccc2F)o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022315173 558477614 /nfs/dbraw/zinc/47/76/14/558477614.db2.gz UGEGKMLCKOIXLE-UHFFFAOYSA-N 1 0 407.489 4.194 50 0 HIAARO CC[N@H+](CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000012835794 558478170 /nfs/dbraw/zinc/47/81/70/558478170.db2.gz PCYBUHGGQQAPMS-UHFFFAOYSA-N 1 0 401.514 4.267 50 0 HIAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013069466 558511041 /nfs/dbraw/zinc/51/10/41/558511041.db2.gz LFCMDTGUBDFYED-KURKYZTESA-N 1 0 409.530 4.252 50 0 HIAARO COc1cccc(-c2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)c1 ZINC000022803003 558513282 /nfs/dbraw/zinc/51/32/82/558513282.db2.gz RZGCOIGWQYIHJB-UHFFFAOYSA-N 1 0 414.509 4.216 50 0 HIAARO Cc1c2ccccc2nc2c1CCC[C@@H]2[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022926587 558523365 /nfs/dbraw/zinc/52/33/65/558523365.db2.gz AUIFBDDBZANXFR-QHCPKHFHSA-N 1 0 415.537 4.467 50 0 HIAARO C[N@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238132 558544906 /nfs/dbraw/zinc/54/49/06/558544906.db2.gz IDPPVBCRAKJMDN-RDGATRHJSA-N 1 0 423.484 4.153 50 0 HIAARO O=C(c1nc2sccn2c1C[N@@H+]1CC[C@H](C2CCCCC2)C1)N1CCCCC1 ZINC000023338315 558549973 /nfs/dbraw/zinc/54/99/73/558549973.db2.gz ARWCCCZXYDWAAA-SFHVURJKSA-N 1 0 400.592 4.424 50 0 HIAARO FC(F)(F)c1cccc(Cc2noc(CN3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000023339090 558550229 /nfs/dbraw/zinc/55/02/29/558550229.db2.gz FCCPDJKKPWVWSR-UHFFFAOYSA-N 1 0 408.468 4.130 50 0 HIAARO Cc1cc(C)n(-c2cccc(C[NH2+][C@H]3CCCN(C4Cc5ccccc5C4)C3)c2)n1 ZINC000023359892 558551635 /nfs/dbraw/zinc/55/16/35/558551635.db2.gz GRHKPRXSFJLDPM-DEOSSOPVSA-N 1 0 400.570 4.211 50 0 HIAARO O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000013641675 558555768 /nfs/dbraw/zinc/55/57/68/558555768.db2.gz RZMWZGIFTOTZFF-QGZVFWFLSA-N 1 0 414.465 4.070 50 0 HIAARO CC(C)[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1 ZINC000010931018 558580949 /nfs/dbraw/zinc/58/09/49/558580949.db2.gz QSLAAISUGBZAHU-UHFFFAOYSA-N 1 0 417.435 4.135 50 0 HIAARO COc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013727653 558585225 /nfs/dbraw/zinc/58/52/25/558585225.db2.gz PEHSKYSEUYKKDG-UHFFFAOYSA-N 1 0 420.912 4.169 50 0 HIAARO COc1ccc(C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 ZINC000013731475 558586821 /nfs/dbraw/zinc/58/68/21/558586821.db2.gz BVRXWKCVHOITSR-UHFFFAOYSA-N 1 0 420.509 4.320 50 0 HIAARO COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000013739039 558589057 /nfs/dbraw/zinc/58/90/57/558589057.db2.gz BIRFNOUSCKMMDJ-NRFANRHFSA-N 1 0 416.339 4.108 50 0 HIAARO COc1ccc(-c2c[n+](CC(=O)Nc3c(Cl)cccc3Cl)c3n2CCC3)cc1 ZINC000013769090 558591405 /nfs/dbraw/zinc/59/14/05/558591405.db2.gz GQZYHAOLSPJPIE-UHFFFAOYSA-O 1 0 417.316 4.343 50 0 HIAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000024989371 558625646 /nfs/dbraw/zinc/62/56/46/558625646.db2.gz BBTLERZNXNYITM-QGZVFWFLSA-N 1 0 420.962 4.059 50 0 HIAARO C[C@H]([NH2+]CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000014242562 558645138 /nfs/dbraw/zinc/64/51/38/558645138.db2.gz AEPLNOSEDSRMRQ-FQEVSTJZSA-N 1 0 419.594 4.333 50 0 HIAARO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680416 558647518 /nfs/dbraw/zinc/64/75/18/558647518.db2.gz LWMNSMXOTVCFRC-HXUWFJFHSA-N 1 0 404.554 4.351 50 0 HIAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)O1 ZINC000014879701 558675635 /nfs/dbraw/zinc/67/56/35/558675635.db2.gz XQHOMTPEOHYFQB-KRWDZBQOSA-N 1 0 402.922 4.250 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027583169 558676157 /nfs/dbraw/zinc/67/61/57/558676157.db2.gz ARFKOGYYBXTZNN-XMMPIXPASA-N 1 0 410.558 4.424 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)[NH+]2CCCCC2)cc1 ZINC000027669211 558680045 /nfs/dbraw/zinc/68/00/45/558680045.db2.gz PANCKOACYWDWKI-OAQYLSRUSA-N 1 0 422.529 4.312 50 0 HIAARO COc1ccc([C@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027747707 558681638 /nfs/dbraw/zinc/68/16/38/558681638.db2.gz GSTAXMZVRAZYIN-QHCPKHFHSA-N 1 0 410.558 4.325 50 0 HIAARO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)ccn1 ZINC000014959741 558683549 /nfs/dbraw/zinc/68/35/49/558683549.db2.gz VKBDDVIWDUNUGM-RUZDIDTESA-N 1 0 406.574 4.375 50 0 HIAARO Cc1ccc(C)c(-n2cc(C[NH2+]CCCN3CCC(O)CC3)c(-c3ccccc3)n2)c1 ZINC000014962067 558684350 /nfs/dbraw/zinc/68/43/50/558684350.db2.gz YWUNICKYDYNUEK-UHFFFAOYSA-N 1 0 418.585 4.093 50 0 HIAARO O=C(CCC1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1)N1CCOCC1 ZINC000014972247 558687805 /nfs/dbraw/zinc/68/78/05/558687805.db2.gz OZPVZXBFQFPBNF-UHFFFAOYSA-N 1 0 406.526 4.437 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027994216 558688916 /nfs/dbraw/zinc/68/89/16/558688916.db2.gz CJDZOPPWEQIDQE-LAUBAEHRSA-N 1 0 416.949 4.459 50 0 HIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C2CC2)on1 ZINC000014976919 558689400 /nfs/dbraw/zinc/68/94/00/558689400.db2.gz AMPLBBKCGGULFK-QGZVFWFLSA-N 1 0 401.938 4.232 50 0 HIAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028013364 558689611 /nfs/dbraw/zinc/68/96/11/558689611.db2.gz KYUSSXPIHFYHDU-LJQANCHMSA-N 1 0 420.475 4.459 50 0 HIAARO COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1 ZINC000014978185 558690193 /nfs/dbraw/zinc/69/01/93/558690193.db2.gz HXVVWPIBGDADIV-OAHLLOKOSA-N 1 0 410.436 4.087 50 0 HIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000014988298 558693338 /nfs/dbraw/zinc/69/33/38/558693338.db2.gz DZPXESDLXTXDPR-FQEVSTJZSA-N 1 0 408.571 4.496 50 0 HIAARO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)oc2c1C ZINC000028292298 558698131 /nfs/dbraw/zinc/69/81/31/558698131.db2.gz HWNXYZMZEKBSOX-OAQYLSRUSA-N 1 0 404.510 4.367 50 0 HIAARO C[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)NC(=O)NC1CCCC1 ZINC000028800019 558704759 /nfs/dbraw/zinc/70/47/59/558704759.db2.gz WADRTRRNVQFRNK-UTKZUKDTSA-N 1 0 418.541 4.046 50 0 HIAARO NC(=O)C1CC[NH+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000015062603 558705457 /nfs/dbraw/zinc/70/54/57/558705457.db2.gz XFQJLBMENPIHHK-UHFFFAOYSA-N 1 0 412.896 4.029 50 0 HIAARO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015063461 558706178 /nfs/dbraw/zinc/70/61/78/558706178.db2.gz ASKPMQJPZPRQJD-OAQYLSRUSA-N 1 0 405.567 4.176 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccsc1 ZINC000072281253 558706971 /nfs/dbraw/zinc/70/69/71/558706971.db2.gz QUKXTKXIQWPJEJ-FQEVSTJZSA-N 1 0 414.575 4.470 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c(C)c1 ZINC000015068032 558710574 /nfs/dbraw/zinc/71/05/74/558710574.db2.gz QFHZQBJTRJMALG-KRWDZBQOSA-N 1 0 416.591 4.157 50 0 HIAARO CSCCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000015068673 558711178 /nfs/dbraw/zinc/71/11/78/558711178.db2.gz ISGHAFIJWGHKGL-UHFFFAOYSA-N 1 0 411.615 4.384 50 0 HIAARO C[C@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000015070480 558712251 /nfs/dbraw/zinc/71/22/51/558712251.db2.gz SNLCVLMNGCGOKF-VQIMIIECSA-N 1 0 414.933 4.343 50 0 HIAARO Cc1ccc2cc(C[NH2+][C@H]3CCOC(C)(C)C3)c(=O)n(CCOc3ccccc3)c2c1 ZINC000015072064 558713467 /nfs/dbraw/zinc/71/34/67/558713467.db2.gz IUHYJYQCLQJTLC-QFIPXVFZSA-N 1 0 420.553 4.436 50 0 HIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)cc1CO ZINC000015075284 558715791 /nfs/dbraw/zinc/71/57/91/558715791.db2.gz JRBDLCTVCPPVCR-KRWDZBQOSA-N 1 0 417.933 4.335 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140243 558724949 /nfs/dbraw/zinc/72/49/49/558724949.db2.gz FBGABFJMJOYHSQ-UHFFFAOYSA-N 1 0 406.505 4.154 50 0 HIAARO O=C(CSCc1nc2ccccc2s1)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556504 558732613 /nfs/dbraw/zinc/73/26/13/558732613.db2.gz RBZGQVQYIGIOJW-UHFFFAOYSA-N 1 0 411.596 4.442 50 0 HIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563711 558733206 /nfs/dbraw/zinc/73/32/06/558733206.db2.gz JTXCPZWMFSTOIO-UHFFFAOYSA-N 1 0 418.518 4.402 50 0 HIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(Br)cc1 ZINC000000754675 558774177 /nfs/dbraw/zinc/77/41/77/558774177.db2.gz NFLXZSYZWUTEOX-UHFFFAOYSA-N 1 0 415.335 4.393 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599168 558796447 /nfs/dbraw/zinc/79/64/47/558796447.db2.gz GMASGCQFOIDOBS-SFHVURJKSA-N 1 0 400.885 4.006 50 0 HIAARO COc1ccc(CCNC(=O)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000016694825 558800608 /nfs/dbraw/zinc/80/06/08/558800608.db2.gz GCPUXEVXXWNLPT-LJQANCHMSA-N 1 0 418.537 4.380 50 0 HIAARO CC[C@@H](C)[N@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028855 558852548 /nfs/dbraw/zinc/85/25/48/558852548.db2.gz PXFXVRFYQVVXDW-MRXNPFEDSA-N 1 0 409.486 4.248 50 0 HIAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000055071677 558871352 /nfs/dbraw/zinc/87/13/52/558871352.db2.gz IHBOGJVYBUKTPA-LJQANCHMSA-N 1 0 415.940 4.214 50 0 HIAARO Cc1ccsc1C[N@H+](Cc1cn(CC(N)=O)c2ccccc12)Cc1ccccn1 ZINC000055306881 558878860 /nfs/dbraw/zinc/87/88/60/558878860.db2.gz BDNIJNWECUBNLN-UHFFFAOYSA-N 1 0 404.539 4.094 50 0 HIAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000055359709 558880217 /nfs/dbraw/zinc/88/02/17/558880217.db2.gz SZBDNPZHSGAYDJ-UHFFFAOYSA-N 1 0 407.539 4.117 50 0 HIAARO Cc1cc(C)c(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)c(C)c1CO ZINC000055383568 558880589 /nfs/dbraw/zinc/88/05/89/558880589.db2.gz GHDPQCCREGZQQV-UHFFFAOYSA-N 1 0 404.510 4.430 50 0 HIAARO COc1ccc(CN2CCc3nc(SCc4ccc(C)cc4)[nH]c(=O)c3C2)cc1 ZINC000033141656 558893317 /nfs/dbraw/zinc/89/33/17/558893317.db2.gz DHNNRUKERQQREG-UHFFFAOYSA-N 1 0 407.539 4.350 50 0 HIAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C[C@H](C)O1 ZINC000058005480 558894431 /nfs/dbraw/zinc/89/44/31/558894431.db2.gz CILCPTKESVBLBU-OYRHEFFESA-N 1 0 422.569 4.355 50 0 HIAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000058174600 558908909 /nfs/dbraw/zinc/90/89/09/558908909.db2.gz VTOMCFAXSOSBDN-LJQANCHMSA-N 1 0 405.498 4.135 50 0 HIAARO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000058175487 558909490 /nfs/dbraw/zinc/90/94/90/558909490.db2.gz JMIKZILCFBENNV-SANMLTNESA-N 1 0 413.521 4.440 50 0 HIAARO CCC(CC)[C@H](CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCC1 ZINC000058203454 558911914 /nfs/dbraw/zinc/91/19/14/558911914.db2.gz VEGQMDIGUADHKZ-PWHSHALESA-N 1 0 416.610 4.322 50 0 HIAARO COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000004710987 558916781 /nfs/dbraw/zinc/91/67/81/558916781.db2.gz CWRZGFGTVDZPFC-UHFFFAOYSA-N 1 0 403.935 4.071 50 0 HIAARO O=C(CSc1nc2ccccc2o1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004720724 558923885 /nfs/dbraw/zinc/92/38/85/558923885.db2.gz FRFVQFLWMAKIGV-UHFFFAOYSA-N 1 0 411.571 4.033 50 0 HIAARO CC[NH+](CC)CCNC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033261172 558928096 /nfs/dbraw/zinc/92/80/96/558928096.db2.gz RKXNYWUUIUJHLI-UHFFFAOYSA-N 1 0 403.530 4.267 50 0 HIAARO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000064044253 558961848 /nfs/dbraw/zinc/96/18/48/558961848.db2.gz UHKFNNLDBNSBSC-HXUWFJFHSA-N 1 0 412.965 4.467 50 0 HIAARO CC(C)Nc1ncc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 ZINC000065463322 558977998 /nfs/dbraw/zinc/97/79/98/558977998.db2.gz FMMCAVCXCCTFFK-FQEVSTJZSA-N 1 0 417.513 4.077 50 0 HIAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(Cc3ccc(Cl)s3)CC2)OC1=O ZINC000072429702 558979127 /nfs/dbraw/zinc/97/91/27/558979127.db2.gz RVBXLYOOTRPCCO-UHFFFAOYSA-N 1 0 414.015 4.166 50 0 HIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCC[C@](O)(CO)C2)CCC4)c1 ZINC000072433848 558979729 /nfs/dbraw/zinc/97/97/29/558979729.db2.gz DDTLDTHHJNJSFJ-AREMUKBSSA-N 1 0 402.538 4.018 50 0 HIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[NH+]2CCC(O)(CO)CC2)CCC4)c1 ZINC000072434634 558980087 /nfs/dbraw/zinc/98/00/87/558980087.db2.gz IALLJRFGSKNDBC-UHFFFAOYSA-N 1 0 402.538 4.018 50 0 HIAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072481422 558984196 /nfs/dbraw/zinc/98/41/96/558984196.db2.gz VYBJVBRECUXBAY-LJQANCHMSA-N 1 0 405.498 4.400 50 0 HIAARO CN(Cc1cc[nH]n1)C(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000067872484 558994245 /nfs/dbraw/zinc/99/42/45/558994245.db2.gz DYUSWVOMPVKCOB-UHFFFAOYSA-N 1 0 418.969 4.225 50 0 HIAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)c1ccc(-c2ccccc2)cc1 ZINC000076981627 558998812 /nfs/dbraw/zinc/99/88/12/558998812.db2.gz YKWICQKQTJVXJY-IBGZPJMESA-N 1 0 404.510 4.081 50 0 HIAARO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138539 559040414 /nfs/dbraw/zinc/04/04/14/559040414.db2.gz MRFFDFQYWWITLN-RUZDIDTESA-N 1 0 419.613 4.030 50 0 HIAARO C[NH+]1CCN(c2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3n2)CC1 ZINC000033282539 559045015 /nfs/dbraw/zinc/04/50/15/559045015.db2.gz BPYGUOCHTCGHHK-UHFFFAOYSA-N 1 0 405.889 4.357 50 0 HIAARO O=C(c1cccc(Br)c1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651556 559057270 /nfs/dbraw/zinc/05/72/70/559057270.db2.gz GQNFLNQUCJMRDA-UHFFFAOYSA-N 1 0 416.315 4.019 50 0 HIAARO c1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2C2CCCCC2)CCSCC1 ZINC000033337957 559063589 /nfs/dbraw/zinc/06/35/89/559063589.db2.gz NFTIAZMXUYLCHA-UHFFFAOYSA-N 1 0 410.591 4.214 50 0 HIAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000096138603 559095595 /nfs/dbraw/zinc/09/55/95/559095595.db2.gz HYRBCSJNZZGKJW-IBGZPJMESA-N 1 0 400.592 4.082 50 0 HIAARO Cc1ccc2oc(=O)c3cc(C(=O)NCC[N@@H+](C)Cc4ccccc4)sc3c2c1 ZINC000004939574 559212193 /nfs/dbraw/zinc/21/21/93/559212193.db2.gz KDVSBBJTMMOLAM-UHFFFAOYSA-N 1 0 406.507 4.178 50 0 HIAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccccc2Cl)CC1 ZINC000011945723 559269054 /nfs/dbraw/zinc/26/90/54/559269054.db2.gz QHFRVZJTVYEZOU-UHFFFAOYSA-N 1 0 400.950 4.375 50 0 HIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(Br)c3)=NN12 ZINC000005163954 559275666 /nfs/dbraw/zinc/27/56/66/559275666.db2.gz MKCWVJYUQKXREE-IBGZPJMESA-N 1 0 412.331 4.415 50 0 HIAARO C[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn32)CC1 ZINC000005345275 560569794 /nfs/dbraw/zinc/56/97/94/560569794.db2.gz OGHIXQYVVHDFEL-UHFFFAOYSA-N 1 0 403.917 4.469 50 0 HIAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@H](c1ccc(C)cc1)c1ccc(O)cc1O2 ZINC000005345858 560570120 /nfs/dbraw/zinc/57/01/20/560570120.db2.gz CDTUJNOHEAJHKQ-OAQYLSRUSA-N 1 0 404.514 4.004 50 0 HIAARO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000005482738 560596232 /nfs/dbraw/zinc/59/62/32/560596232.db2.gz CLFJDEZIXUJXCH-HCYUJWNOSA-N 1 0 421.541 4.122 50 0 HIAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(OC)cc2)o1 ZINC000018166483 560780921 /nfs/dbraw/zinc/78/09/21/560780921.db2.gz JPUUBPRITFWXOY-UHFFFAOYSA-N 1 0 416.547 4.146 50 0 HIAARO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cc(F)cc(F)c3)CC2)[C@H]1OC ZINC000012053832 560887921 /nfs/dbraw/zinc/88/79/21/560887921.db2.gz JHYDWTXRLXIASR-PKTZIBPZSA-N 1 0 414.496 4.095 50 0 HIAARO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCCc2ccccc21 ZINC000108962679 568420384 /nfs/dbraw/zinc/42/03/84/568420384.db2.gz JDJSVWMSCLZVJH-YADHBBJMSA-N 1 0 406.526 4.131 50 0 HIAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC(F)F ZINC000048142850 568432174 /nfs/dbraw/zinc/43/21/74/568432174.db2.gz GQMANOXIPPEKHK-UHFFFAOYSA-N 1 0 404.457 4.213 50 0 HIAARO CC[NH+](CC)CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000048302809 568437833 /nfs/dbraw/zinc/43/78/33/568437833.db2.gz RKXPUBHTQWDQAF-UHFFFAOYSA-N 1 0 410.949 4.193 50 0 HIAARO COc1c(Br)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1Br ZINC000020927322 568460585 /nfs/dbraw/zinc/46/05/85/568460585.db2.gz VSDUSQUKAGGDKP-HNNXBMFYSA-N 1 0 415.125 4.043 50 0 HIAARO COc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000006877385 568462885 /nfs/dbraw/zinc/46/28/85/568462885.db2.gz CMUHIQSDLUAMIZ-GOSISDBHSA-N 1 0 409.530 4.006 50 0 HIAARO CCC[NH+](CCC)CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000006939889 568464929 /nfs/dbraw/zinc/46/49/29/568464929.db2.gz LXXWGJDFEWWDBQ-UHFFFAOYSA-N 1 0 411.525 4.044 50 0 HIAARO O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000012315343 568466860 /nfs/dbraw/zinc/46/68/60/568466860.db2.gz AVAFLUGBZBRODH-JOCHJYFZSA-N 1 0 406.526 4.024 50 0 HIAARO COc1cccc([C@@H](CNC(=O)c2ccc(COc3ccccc3)cc2)[NH+](C)C)c1 ZINC000008036703 568488160 /nfs/dbraw/zinc/48/81/60/568488160.db2.gz SJBRMFJEIJNRRF-XMMPIXPASA-N 1 0 404.510 4.307 50 0 HIAARO CC[C@@H](C)Oc1cc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)ccc1OC ZINC000095453835 568615939 /nfs/dbraw/zinc/61/59/39/568615939.db2.gz JQMUKFAMGOYAAN-QGZVFWFLSA-N 1 0 403.592 4.345 50 0 HIAARO CCNC(=O)N1CCC([NH2+]CC(C)(C)Sc2ccc(Br)cc2)CC1 ZINC000095462818 568621757 /nfs/dbraw/zinc/62/17/57/568621757.db2.gz DULDDSSNJJUPNK-UHFFFAOYSA-N 1 0 414.413 4.103 50 0 HIAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C(C)C)CC1 ZINC000020608857 568636720 /nfs/dbraw/zinc/63/67/20/568636720.db2.gz XZUFKBOWVOGGEB-UHFFFAOYSA-N 1 0 411.594 4.274 50 0 HIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3C=C12 ZINC000020612291 568637444 /nfs/dbraw/zinc/63/74/44/568637444.db2.gz RGHKEJPNSWYLEW-OUDZHVFCSA-N 1 0 400.607 4.251 50 0 HIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020933628 568652163 /nfs/dbraw/zinc/65/21/63/568652163.db2.gz VWLADNDPMFUYNO-HXUWFJFHSA-N 1 0 405.546 4.047 50 0 HIAARO CCC[NH+](CCC)CC(=O)Nc1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000095851921 568653904 /nfs/dbraw/zinc/65/39/04/568653904.db2.gz VAUCCFCCCXZMCX-HXUWFJFHSA-N 1 0 409.574 4.037 50 0 HIAARO O=C(N[C@@H](C1CCCC1)C(F)(F)F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095942328 568662407 /nfs/dbraw/zinc/66/24/07/568662407.db2.gz YSEZEBKOOKDBCX-SFHVURJKSA-N 1 0 401.448 4.210 50 0 HIAARO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000021098230 568665920 /nfs/dbraw/zinc/66/59/20/568665920.db2.gz RLSVKWBWUSRTCQ-HSZRJFAPSA-N 1 0 410.489 4.464 50 0 aggregator HIAARO Cc1cccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000095972260 568671742 /nfs/dbraw/zinc/67/17/42/568671742.db2.gz CSVJAVPREICFQF-UYAOXDASSA-N 1 0 402.583 4.127 50 0 HIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c(OC)c1 ZINC000021174779 568677016 /nfs/dbraw/zinc/67/70/16/568677016.db2.gz HXHMFJZOPMJNFG-UHFFFAOYSA-N 1 0 417.937 4.391 50 0 HIAARO O=C(Nc1c[nH+]ccc1N1CCOCC1)c1csc(-c2cccc3ccccc32)n1 ZINC000096011098 568683892 /nfs/dbraw/zinc/68/38/92/568683892.db2.gz DJLILDSHHRJKSM-UHFFFAOYSA-N 1 0 416.506 4.447 50 0 HIAARO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000096012274 568684441 /nfs/dbraw/zinc/68/44/41/568684441.db2.gz ZLULMOBBBFUFBC-YCRPNKLZSA-N 1 0 416.587 4.406 50 0 HIAARO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](c3cccnc3)C3CC3)[C@H](c3ccco3)C2)cc1 ZINC000096012832 568685119 /nfs/dbraw/zinc/68/51/19/568685119.db2.gz PJUBRVCJUUJDIC-WIOPSUGQSA-N 1 0 414.509 4.402 50 0 HIAARO O=C(CCc1conc1-c1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096386706 568743371 /nfs/dbraw/zinc/74/33/71/568743371.db2.gz RCRTZEHNCZSEGE-UHFFFAOYSA-N 1 0 407.489 4.194 50 0 HIAARO COc1cccc(-c2noc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c32)c1 ZINC000021714943 568749114 /nfs/dbraw/zinc/74/91/14/568749114.db2.gz SJOJYYIAKGLBKN-UHFFFAOYSA-N 1 0 415.497 4.370 50 0 HIAARO Clc1cccc(Cl)c1Cn1cc(C[NH2+]CCN2CCOCC2)c2ccccc21 ZINC000253494041 568754244 /nfs/dbraw/zinc/75/42/44/568754244.db2.gz WERGUVLFZZUEQW-UHFFFAOYSA-N 1 0 418.368 4.418 50 0 HIAARO Cc1cc(COc2ccccc2OC[C@@H](O)C[N@H+](Cc2ccccc2)C(C)C)on1 ZINC000096563808 568760644 /nfs/dbraw/zinc/76/06/44/568760644.db2.gz JDESSQWAWVWLQW-NRFANRHFSA-N 1 0 410.514 4.212 50 0 HIAARO FC(F)(F)c1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000022377213 568767133 /nfs/dbraw/zinc/76/71/33/568767133.db2.gz JXTYDAXHZSTFBC-UHFFFAOYSA-N 1 0 416.447 4.463 50 0 HIAARO O=C1CN(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1 ZINC000225821885 568782743 /nfs/dbraw/zinc/78/27/43/568782743.db2.gz IYWVUFZVSIYYQC-UHFFFAOYSA-N 1 0 417.431 4.139 50 0 HIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757505 568783109 /nfs/dbraw/zinc/78/31/09/568783109.db2.gz CFBVYNNDKVJNOH-QLFBSQMISA-N 1 0 406.933 4.069 50 0 HIAARO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000056216106 568794523 /nfs/dbraw/zinc/79/45/23/568794523.db2.gz IHEQVCFKVZAIRU-AUSIDOKSSA-N 1 0 407.558 4.155 50 0 HIAARO Clc1ccccc1Cn1nc(C[NH2+]CCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261491812 568820123 /nfs/dbraw/zinc/82/01/23/568820123.db2.gz KXINYRPLKCKJOW-UHFFFAOYSA-N 1 0 419.916 4.210 50 0 HIAARO CC[N@@H+]1CCC[C@@H]1CNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492002 568820398 /nfs/dbraw/zinc/82/03/98/568820398.db2.gz PAGHGLYUUOVXKT-HXUWFJFHSA-N 1 0 409.965 4.221 50 0 HIAARO COc1cccc(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c1 ZINC000057273808 568825713 /nfs/dbraw/zinc/82/57/13/568825713.db2.gz MTVPOVOOUNWGIN-UHFFFAOYSA-N 1 0 401.510 4.270 50 0 HIAARO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2OC)cc1Br ZINC000057318487 568826818 /nfs/dbraw/zinc/82/68/18/568826818.db2.gz XAVAAEZILYSWIH-CYBMUJFWSA-N 1 0 407.308 4.064 50 0 HIAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000057380648 568830392 /nfs/dbraw/zinc/83/03/92/568830392.db2.gz RBLGVXLVTTYAOD-RTBURBONSA-N 1 0 403.526 4.251 50 0 HIAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029836238 568836873 /nfs/dbraw/zinc/83/68/73/568836873.db2.gz WOAXUHFGEDQBTA-GOSISDBHSA-N 1 0 400.885 4.006 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064033 568853262 /nfs/dbraw/zinc/85/32/62/568853262.db2.gz TUYMTXTZAYKKPJ-JWGURIENSA-N 1 0 421.566 4.378 50 0 HIAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1(c2ccccc2)CCOCC1 ZINC000299775185 568874490 /nfs/dbraw/zinc/87/44/90/568874490.db2.gz IPDJWZQPZWUYOI-HSZRJFAPSA-N 1 0 410.533 4.045 50 0 HIAARO C[C@H](NC(=O)c1ccc(N2CCC([N@H+](C)Cc3cc[nH]n3)CC2)cc1)c1ccccc1 ZINC000299782887 568875263 /nfs/dbraw/zinc/87/52/63/568875263.db2.gz NMUBEIRPCOOSKQ-IBGZPJMESA-N 1 0 417.557 4.002 50 0 HIAARO CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000003336502 568882838 /nfs/dbraw/zinc/88/28/38/568882838.db2.gz PSNJGFLDOSHKPU-GOTSBHOMSA-N 1 0 423.601 4.158 50 0 HIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012695614 568916287 /nfs/dbraw/zinc/91/62/87/568916287.db2.gz VUYGIQSPVVCKRS-PKOBYXMFSA-N 1 0 410.461 4.010 50 0 HIAARO CCNC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004214849 568934064 /nfs/dbraw/zinc/93/40/64/568934064.db2.gz NNAIYOXJNVGUOM-UHFFFAOYSA-N 1 0 401.501 4.224 50 0 in-man HIAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000004041163 568935930 /nfs/dbraw/zinc/93/59/30/568935930.db2.gz LFQOBUGWTJTTGE-UTBBYCFHSA-N 1 0 423.597 4.226 50 0 biogenic HIAARO COc1ccccc1N1C[C@](O)(c2ccc(Br)cc2)[N+]2=C1CCCCC2 ZINC000004086858 568940513 /nfs/dbraw/zinc/94/05/13/568940513.db2.gz RHGVNCNRRRHJEV-NRFANRHFSA-N 1 0 416.339 4.108 50 0 HIAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000012760200 568944107 /nfs/dbraw/zinc/94/41/07/568944107.db2.gz GDRQHPCBMUDHEG-QGZVFWFLSA-N 1 0 408.502 4.171 50 0 HIAARO CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000004281240 568958937 /nfs/dbraw/zinc/95/89/37/568958937.db2.gz VOZLLSCGNNOJSI-UHFFFAOYSA-N 1 0 400.544 4.265 50 0 HIAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000015681416 568967946 /nfs/dbraw/zinc/96/79/46/568967946.db2.gz VIELJEVNWXCNSN-HXUWFJFHSA-N 1 0 419.573 4.274 50 0 HIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012297 568968185 /nfs/dbraw/zinc/96/81/85/568968185.db2.gz UKFUUZJNKUIHKG-UHFFFAOYSA-N 1 0 416.569 4.382 50 0 HIAARO Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000008156449 568977959 /nfs/dbraw/zinc/97/79/59/568977959.db2.gz NZJUJPIQMHBTJC-QFIPXVFZSA-N 1 0 423.513 4.420 50 0 HIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000008157249 568978532 /nfs/dbraw/zinc/97/85/32/568978532.db2.gz XNKCLAVTQWKNNR-HSZRJFAPSA-N 1 0 421.541 4.143 50 0 HIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000008324555 568990997 /nfs/dbraw/zinc/99/09/97/568990997.db2.gz NNFIBBMKHCHWOC-XMMPIXPASA-N 1 0 405.542 4.453 50 0 HIAARO O=C(CSc1ncnc2sccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000008327473 568992164 /nfs/dbraw/zinc/99/21/64/568992164.db2.gz VTOKEBKQOXVLCI-UHFFFAOYSA-N 1 0 412.584 4.086 50 0 HIAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000006080097 568993981 /nfs/dbraw/zinc/99/39/81/568993981.db2.gz BADRABHULZEVBH-UHFFFAOYSA-N 1 0 415.537 4.189 50 0 HIAARO CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1Br ZINC000035273771 569016788 /nfs/dbraw/zinc/01/67/88/569016788.db2.gz OUWLEZKNMITPMX-QMTHXVAHSA-N 1 0 407.146 4.267 50 0 HIAARO COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000035283930 569017362 /nfs/dbraw/zinc/01/73/62/569017362.db2.gz UOIGGMDVUAARNZ-FOIQADDNSA-N 1 0 402.922 4.372 50 0 HIAARO COc1ccc(OCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000016047198 569028327 /nfs/dbraw/zinc/02/83/27/569028327.db2.gz BPLIUYUPSGGOIT-KBPBESRZSA-N 1 0 411.329 4.236 50 0 HIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012940421 569028556 /nfs/dbraw/zinc/02/85/56/569028556.db2.gz AHSRJROQDSHMKS-UHFFFAOYSA-N 1 0 417.981 4.385 50 0 HIAARO CCOc1cc(CN(C)CC(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC(F)F ZINC000026454595 569031890 /nfs/dbraw/zinc/03/18/90/569031890.db2.gz RIAHNEGSYMPMJL-CQSZACIVSA-N 1 0 410.436 4.135 50 0 HIAARO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013007098 569049745 /nfs/dbraw/zinc/04/97/45/569049745.db2.gz OGRANMKKYNSMQC-LLVKDONJSA-N 1 0 417.775 4.295 50 0 HIAARO COc1ccc(C(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000241588002 569054793 /nfs/dbraw/zinc/05/47/93/569054793.db2.gz OYVSUPJSVYTSGC-MEKIYTOJSA-N 1 0 413.558 4.339 50 0 HIAARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@@H]34)CC2)c1 ZINC000245310111 569055641 /nfs/dbraw/zinc/05/56/41/569055641.db2.gz HWHLLITUISOPCT-HEJCWENXSA-N 1 0 424.585 4.276 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459970 569063044 /nfs/dbraw/zinc/06/30/44/569063044.db2.gz IYBZRNCOPBMWMG-INIZCTEOSA-N 1 0 411.937 4.044 50 0 HIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064664922 569078160 /nfs/dbraw/zinc/07/81/60/569078160.db2.gz DTHOQYOGPXQPFO-UHFFFAOYSA-N 1 0 410.949 4.344 50 0 HIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2cccc(OC)c2OC)cc1 ZINC000036097300 569090340 /nfs/dbraw/zinc/09/03/40/569090340.db2.gz XHOCIZKGRUWAFJ-HXUWFJFHSA-N 1 0 417.546 4.000 50 0 HIAARO Cc1cccc(OCc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)c1 ZINC000064761135 569091224 /nfs/dbraw/zinc/09/12/24/569091224.db2.gz NKNOAHOERKQCFV-UHFFFAOYSA-N 1 0 403.486 4.070 50 0 HIAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102356 569091852 /nfs/dbraw/zinc/09/18/52/569091852.db2.gz OUBRMTJJTLZPGZ-DEOSSOPVSA-N 1 0 409.501 4.414 50 0 HIAARO CCn1cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(OC)c2)c2ccccc21 ZINC000006712311 569097283 /nfs/dbraw/zinc/09/72/83/569097283.db2.gz YWNQUHORTAUEOK-HSZRJFAPSA-N 1 0 419.569 4.404 50 0 HIAARO O=C(NCc1cccc(Br)c1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064818059 569101241 /nfs/dbraw/zinc/10/12/41/569101241.db2.gz GPRAZMUMKUJTFL-UHFFFAOYSA-N 1 0 403.295 4.037 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[NH+](C)C)cc1OC ZINC000006787317 569122106 /nfs/dbraw/zinc/12/21/06/569122106.db2.gz OIYVBYDQDARUPC-JOCHJYFZSA-N 1 0 404.510 4.404 50 0 HIAARO COc1cc2c(cc1NC(=O)[C@H](C)[NH2+]Cc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000006788336 569122537 /nfs/dbraw/zinc/12/25/37/569122537.db2.gz DNYLVNVHAQGVOJ-AWEZNQCLSA-N 1 0 418.449 4.440 50 0 HIAARO COc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000169680578 569127209 /nfs/dbraw/zinc/12/72/09/569127209.db2.gz KGMIMGQKJRPBHE-WZONZLPQSA-N 1 0 421.541 4.256 50 0 HIAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)C(C)C ZINC000036301488 569127917 /nfs/dbraw/zinc/12/79/17/569127917.db2.gz RATDOXQRDSSDLU-HSZRJFAPSA-N 1 0 423.557 4.345 50 0 HIAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305651 569129549 /nfs/dbraw/zinc/12/95/49/569129549.db2.gz QLRHOYXNQGYHRS-GOSISDBHSA-N 1 0 421.541 4.481 50 0 HIAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](C)O ZINC000036306322 569129719 /nfs/dbraw/zinc/12/97/19/569129719.db2.gz GVLYMVJVJGYFNA-LJQANCHMSA-N 1 0 409.530 4.017 50 0 HIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)C1 ZINC000064968157 569137874 /nfs/dbraw/zinc/13/78/74/569137874.db2.gz SHMGZQDPTYJVMQ-IBGZPJMESA-N 1 0 405.542 4.465 50 0 HIAARO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036341168 569141828 /nfs/dbraw/zinc/14/18/28/569141828.db2.gz JTEZMBKBCODSQE-QHCPKHFHSA-N 1 0 409.505 4.244 50 0 HIAARO COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(C)CC1 ZINC000036341366 569141970 /nfs/dbraw/zinc/14/19/70/569141970.db2.gz SYOKZGQAOZUPEP-JOCHJYFZSA-N 1 0 409.505 4.244 50 0 HIAARO COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036345640 569143332 /nfs/dbraw/zinc/14/33/32/569143332.db2.gz RLSBOSPCAFUGRL-XMMPIXPASA-N 1 0 405.542 4.413 50 0 HIAARO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000006847197 569153864 /nfs/dbraw/zinc/15/38/64/569153864.db2.gz XPOFUGWAUJIMEG-IBGZPJMESA-N 1 0 421.585 4.015 50 0 HIAARO CC[NH+](CC)CCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000065061138 569165039 /nfs/dbraw/zinc/16/50/39/569165039.db2.gz GBXQCVZWTKOJPZ-UHFFFAOYSA-N 1 0 412.965 4.435 50 0 HIAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)c2)on1 ZINC000006887756 569171172 /nfs/dbraw/zinc/17/11/72/569171172.db2.gz AIBUHFXPUPYWRF-UHFFFAOYSA-N 1 0 411.527 4.355 50 0 HIAARO COc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000006905987 569178206 /nfs/dbraw/zinc/17/82/06/569178206.db2.gz LNBYAMKFITZUSX-OAQYLSRUSA-N 1 0 416.949 4.459 50 0 HIAARO C[N@H+](C[C@H](O)COCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000036430614 569182236 /nfs/dbraw/zinc/18/22/36/569182236.db2.gz IDPPVBCRAKJMDN-WIOPSUGQSA-N 1 0 423.484 4.153 50 0 HIAARO Cc1nc(C)c(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)s1 ZINC000065255052 569207601 /nfs/dbraw/zinc/20/76/01/569207601.db2.gz MISABSCAIXJVJZ-UHFFFAOYSA-N 1 0 408.531 4.313 50 0 HIAARO CCCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccccc3Cl)CC2)n1 ZINC000065257935 569209933 /nfs/dbraw/zinc/20/99/33/569209933.db2.gz ZDABQNWIDBPTDN-UHFFFAOYSA-N 1 0 411.937 4.450 50 0 HIAARO COCCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285376 569216779 /nfs/dbraw/zinc/21/67/79/569216779.db2.gz IULISINVXLJUSK-MRXNPFEDSA-N 1 0 404.436 4.086 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000007263603 569230822 /nfs/dbraw/zinc/23/08/22/569230822.db2.gz KQSWZAPADZILSV-JOCHJYFZSA-N 1 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ZINC000002378284 569389745 /nfs/dbraw/zinc/38/97/45/569389745.db2.gz FOVMFBJTFIRJCG-UHFFFAOYSA-N 1 0 418.932 4.412 50 0 HIAARO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NCC[NH3+])n1 ZINC000002397576 569394595 /nfs/dbraw/zinc/39/45/95/569394595.db2.gz PUOYHNQFQMLUHI-UHFFFAOYSA-N 1 0 417.604 4.307 50 0 HIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002439199 569400164 /nfs/dbraw/zinc/40/01/64/569400164.db2.gz PMQUKWIZDCXPJU-FQEVSTJZSA-N 1 0 410.901 4.333 50 0 HIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369602 569412660 /nfs/dbraw/zinc/41/26/60/569412660.db2.gz AXKFFULCBFYYIX-PMACEKPBSA-N 1 0 404.558 4.473 50 0 HIAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000078957092 569422167 /nfs/dbraw/zinc/42/21/67/569422167.db2.gz SDLCISJRRDQBBD-OAHLLOKOSA-N 1 0 421.335 4.225 50 0 HIAARO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000008693810 571102268 /nfs/dbraw/zinc/10/22/68/571102268.db2.gz CYHBKMMUFASPIH-XMMPIXPASA-N 1 0 409.476 4.490 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2c(C)onc2-c2ccccc2)[NH+]2CCCC2)cc1 ZINC000008848863 571125991 /nfs/dbraw/zinc/12/59/91/571125991.db2.gz JXMCPWCSFHXEKM-OAQYLSRUSA-N 1 0 405.498 4.226 50 0 HIAARO C[N@H+](Cc1ccccc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C1CCCCC1 ZINC000040057944 571146044 /nfs/dbraw/zinc/14/60/44/571146044.db2.gz ZZYRGWIUBPDRSV-JOCHJYFZSA-N 1 0 408.546 4.189 50 0 HIAARO Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000040107933 571167803 /nfs/dbraw/zinc/16/78/03/571167803.db2.gz FDZQVOLQDRUPAM-LJQANCHMSA-N 1 0 410.606 4.247 50 0 HIAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000245327540 571225327 /nfs/dbraw/zinc/22/53/27/571225327.db2.gz KBVHYBNEXMSFOC-VGSWGCGISA-N 1 0 413.562 4.198 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(F)c1)N(CC[NH+](C)C)C3=O ZINC000009328232 571248239 /nfs/dbraw/zinc/24/82/39/571248239.db2.gz ZCUIWNLTPXYDQL-IBGZPJMESA-N 1 0 414.864 4.001 50 0 HIAARO Cc1nc2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)ccc2n1-c1ccccc1 ZINC000009378366 571253283 /nfs/dbraw/zinc/25/32/83/571253283.db2.gz OMYGRHPEFNCMNZ-QHCPKHFHSA-N 1 0 414.509 4.494 50 0 HIAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000070928963 571282121 /nfs/dbraw/zinc/28/21/21/571282121.db2.gz MEHZXPNIOKBART-UHFFFAOYSA-N 1 0 400.526 4.387 50 0 HIAARO CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2OC32CC[NH+](C)CC2)cc1 ZINC000010214389 571296776 /nfs/dbraw/zinc/29/67/76/571296776.db2.gz FXGJFLIARCLUOY-QFIPXVFZSA-N 1 0 421.541 4.449 50 0 HIAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010261038 571298713 /nfs/dbraw/zinc/29/87/13/571298713.db2.gz BZQUTTKJJUDAGF-NRFANRHFSA-N 1 0 419.573 4.494 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c(C)c1 ZINC000010334226 571300737 /nfs/dbraw/zinc/30/07/37/571300737.db2.gz SYDPWXZXTXBHDI-DEOSSOPVSA-N 1 0 415.537 4.348 50 0 HIAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1C ZINC000010334220 571300750 /nfs/dbraw/zinc/30/07/50/571300750.db2.gz JWWHIOPOWYCWKQ-XMMPIXPASA-N 1 0 415.537 4.348 50 0 HIAARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1cccc2ccccc21)[NH+](C)C ZINC000010335621 571300797 /nfs/dbraw/zinc/30/07/97/571300797.db2.gz DVQUZJDNLVUBLU-OAQYLSRUSA-N 1 0 412.555 4.046 50 0 HIAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)c(C)c1 ZINC000011774278 845832579 /nfs/dbraw/zinc/83/25/79/845832579.db2.gz UTRJUOTZEVEMOT-IBGZPJMESA-N 1 0 424.541 4.406 50 0 HIAARO COC(=O)Cn1cc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc21 ZINC000011821657 845837152 /nfs/dbraw/zinc/83/71/52/845837152.db2.gz KRNDTKLLWBQSEM-MRXNPFEDSA-N 1 0 420.488 4.298 50 0 HIAARO COCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011839292 845838011 /nfs/dbraw/zinc/83/80/11/845838011.db2.gz ZSIVGQXXEYMBMN-SFHVURJKSA-N 1 0 404.938 4.106 50 0 HIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)c1 ZINC000011879905 845839340 /nfs/dbraw/zinc/83/93/40/845839340.db2.gz IEKSRBAXETWDOO-OAQYLSRUSA-N 1 0 405.498 4.204 50 0 HIAARO COc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000012040946 845849362 /nfs/dbraw/zinc/84/93/62/845849362.db2.gz QZPDADRYCWHVHG-HXUWFJFHSA-N 1 0 416.949 4.370 50 0 HIAARO COc1ccc(C[N@H+](C)[C@H]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000012040944 845849511 /nfs/dbraw/zinc/84/95/11/845849511.db2.gz QZPDADRYCWHVHG-FQEVSTJZSA-N 1 0 416.949 4.370 50 0 HIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)Cc1[nH]nc2ccccc21 ZINC000012302010 845866890 /nfs/dbraw/zinc/86/68/90/845866890.db2.gz ZCSMDDFKLFWYIU-UHFFFAOYSA-N 1 0 424.976 4.172 50 0 HIAARO CCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)o1 ZINC000012372939 845867996 /nfs/dbraw/zinc/86/79/96/845867996.db2.gz KEHJSHMVZBMKNB-UHFFFAOYSA-N 1 0 406.530 4.495 50 0 HIAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@@H]([NH2+]C1CCCC1)CC3 ZINC000012452869 845872206 /nfs/dbraw/zinc/87/22/06/845872206.db2.gz CKRVXTYZLRSWFQ-SFHVURJKSA-N 1 0 405.567 4.187 50 0 HIAARO CCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000012798775 845890580 /nfs/dbraw/zinc/89/05/80/845890580.db2.gz MSDHGZNDKRMDJW-YXBWYFRISA-N 1 0 414.933 4.151 50 0 HIAARO O=C(NC1CCOCC1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000014958158 845994669 /nfs/dbraw/zinc/99/46/69/845994669.db2.gz PZDQOATXYAETLX-UHFFFAOYSA-N 1 0 406.954 4.035 50 0 HIAARO CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)c1 ZINC000014977782 845995523 /nfs/dbraw/zinc/99/55/23/845995523.db2.gz DDUFXKPENGCSBI-XMMPIXPASA-N 1 0 407.558 4.238 50 0 HIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(F)c(F)c1 ZINC000014960024 845995846 /nfs/dbraw/zinc/99/58/46/845995846.db2.gz HDROAFHCFLGECV-HXUWFJFHSA-N 1 0 418.503 4.450 50 0 HIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000015065141 846005489 /nfs/dbraw/zinc/00/54/89/846005489.db2.gz MQSDNDHMYKOEQT-GOSISDBHSA-N 1 0 402.454 4.334 50 0 HIAARO Cc1ccc(CNC(=O)N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000169760732 853657381 /nfs/dbraw/zinc/65/73/81/853657381.db2.gz AUORPQHYYKFWOI-UHFFFAOYSA-N 1 0 421.585 4.350 50 0 HIAARO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000257175042 854232638 /nfs/dbraw/zinc/23/26/38/854232638.db2.gz NGOCWQZTGCDKDO-NRFANRHFSA-N 1 0 422.447 4.013 50 0 HIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000257179831 854233012 /nfs/dbraw/zinc/23/30/12/854233012.db2.gz CYUDWFWZSUTQJG-OAQYLSRUSA-N 1 0 420.557 4.363 50 0 HIAARO CC(C)c1nnc([C@H]2C[N@H+](C)CC23CCN(Cc2cc(Cl)ccc2F)CC3)o1 ZINC000409419760 855484490 /nfs/dbraw/zinc/48/44/90/855484490.db2.gz ZVQMXTSGLFICQS-QGZVFWFLSA-N 1 0 406.933 4.297 50 0 HIAARO CCN1CCC([N@@H+]2CC[C@@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)CC1 ZINC000575314473 948642720 /nfs/dbraw/zinc/64/27/20/948642720.db2.gz XMJADYVTMMBISC-HSZRJFAPSA-N 1 0 418.541 4.341 50 0 HIAARO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CC[C@H](c2nc(-c3cccn3C)no2)C1 ZINC000575551717 948676756 /nfs/dbraw/zinc/67/67/56/948676756.db2.gz FTLLJAMCYMPCKA-SFHVURJKSA-N 1 0 403.486 4.336 50 0 HIAARO CC(C)[N@@H+]1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000575556545 948678281 /nfs/dbraw/zinc/67/82/81/948678281.db2.gz ALMXWSHZDSDCMV-ZEQRLZLVSA-N 1 0 407.558 4.148 50 0 HIAARO Brc1ccccc1CN1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001164697 532971799 /nfs/dbraw/zinc/97/17/99/532971799.db2.gz RZXOTAMXYGDJSH-UHFFFAOYSA-N 1 0 414.391 4.236 50 0 HIAARO Brc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004712112 132285246 /nfs/dbraw/zinc/28/52/46/132285246.db2.gz WTYAJUGQZOHVPG-UHFFFAOYSA-N 1 0 414.391 4.236 50 0 HIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000004981245 132297651 /nfs/dbraw/zinc/29/76/51/132297651.db2.gz SBLKUDGIULXZDL-INIZCTEOSA-N 1 0 408.464 4.476 50 0 HIAARO Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)cc2)n1 ZINC000008409862 132330034 /nfs/dbraw/zinc/33/00/34/132330034.db2.gz AIHRXVZGBNUHDZ-UHFFFAOYSA-N 1 0 423.948 4.147 50 0 HIAARO COc1ccc(C(=O)Nc2ccc(N3CCC([N@@H+]4CCC[C@@H](OC)C4)CC3)cc2)cc1 ZINC000012243335 132357707 /nfs/dbraw/zinc/35/77/07/132357707.db2.gz BWXUULHKHGRESJ-XMMPIXPASA-N 1 0 423.557 4.027 50 0 HIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000012438654 132360090 /nfs/dbraw/zinc/36/00/90/132360090.db2.gz SCZLHKYQXYGNIK-QHCPKHFHSA-N 1 0 420.601 4.039 50 0 HIAARO Cc1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1N1CC[NH+](C)CC1 ZINC000012605865 132364981 /nfs/dbraw/zinc/36/49/81/132364981.db2.gz FKDOLKXFSRTKBU-UHFFFAOYSA-N 1 0 415.603 4.090 50 0 HIAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000043494049 520649546 /nfs/dbraw/zinc/64/95/46/520649546.db2.gz BTXVNWGAOBKNGY-UHFFFAOYSA-N 1 0 403.548 4.285 50 0 HIAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1C ZINC000040744050 520719890 /nfs/dbraw/zinc/71/98/90/520719890.db2.gz WHLRZTGENZGHGZ-HNNXBMFYSA-N 1 0 408.336 4.206 50 0 HIAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000032772078 521699268 /nfs/dbraw/zinc/69/92/68/521699268.db2.gz KHLDJELZUUSFCO-IBGZPJMESA-N 1 0 406.574 4.065 50 0 HIAARO CN(C)c1ccc(-c2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000020290925 522125171 /nfs/dbraw/zinc/12/51/71/522125171.db2.gz KXKRYKMFEATLJE-UHFFFAOYSA-N 1 0 406.559 4.231 50 0 HIAARO COc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000040744151 522447375 /nfs/dbraw/zinc/44/73/75/522447375.db2.gz DUAYYTFGSGXRAR-UHFFFAOYSA-N 1 0 408.336 4.207 50 0 HIAARO COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)cc2c1OCCO2 ZINC000025361793 522459874 /nfs/dbraw/zinc/45/98/74/522459874.db2.gz FTOZAZFPDIGTIZ-SFHVURJKSA-N 1 0 402.560 4.091 50 0 HIAARO CC[C@@H](CNC(=O)c1cc(OC)ccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000032446225 522541196 /nfs/dbraw/zinc/54/11/96/522541196.db2.gz PKEGURPYYZUMDK-KRWDZBQOSA-N 1 0 417.347 4.024 50 0 HIAARO C[N@H+](CCCNC(=O)c1nccnc1-c1nc2ccccc2s1)Cc1ccccc1 ZINC000032902652 522770398 /nfs/dbraw/zinc/77/03/98/522770398.db2.gz HEYVFKYNSXYNMF-UHFFFAOYSA-N 1 0 417.538 4.005 50 0 HIAARO C[NH+](C)CCCNc1ncnc2c1[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000044928715 524057364 /nfs/dbraw/zinc/05/73/64/524057364.db2.gz OSUXDDWJYUCNAV-LJQANCHMSA-N 1 0 410.905 4.485 50 0 HIAARO COc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3SC)CC2)cc1 ZINC000043991725 524059326 /nfs/dbraw/zinc/05/93/26/524059326.db2.gz RQFMYKBUDUOMMS-UHFFFAOYSA-N 1 0 413.587 4.129 50 0 HIAARO COc1ccc(C[NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)cc1Br ZINC000025361547 524071759 /nfs/dbraw/zinc/07/17/59/524071759.db2.gz NIMKXOGZDYALOX-IBGZPJMESA-N 1 0 419.363 4.393 50 0 HIAARO COc1ccccc1[C@H](C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C)N1CCCC1 ZINC000032740420 524793882 /nfs/dbraw/zinc/79/38/82/524793882.db2.gz MPRVLMPRXMURMB-DEOSSOPVSA-N 1 0 404.558 4.424 50 0 HIAARO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029483181 525010223 /nfs/dbraw/zinc/01/02/23/525010223.db2.gz YPTALQKJGLMYFK-SFHVURJKSA-N 1 0 420.294 4.157 50 0 HIAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000040743603 525067704 /nfs/dbraw/zinc/06/77/04/525067704.db2.gz CMEKTGPWQVUWKO-QFIPXVFZSA-N 1 0 424.928 4.489 50 0 HIAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000043726147 525136725 /nfs/dbraw/zinc/13/67/25/525136725.db2.gz MCDGQTVJIRQSIY-UHFFFAOYSA-N 1 0 403.473 4.060 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2cc(C)ccc2Cl)[NH+]2CCCCC2)cc1 ZINC000032969117 525183318 /nfs/dbraw/zinc/18/33/18/525183318.db2.gz AGXYQLQCJWPRHW-OAQYLSRUSA-N 1 0 416.949 4.379 50 0 HIAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)N2CCCC2)cc1 ZINC000025357961 525361871 /nfs/dbraw/zinc/36/18/71/525361871.db2.gz OJNFZHHASJBBPG-FQEVSTJZSA-N 1 0 419.363 4.393 50 0 HIAARO COc1ccc2c(ccn2CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032095862 525616372 /nfs/dbraw/zinc/61/63/72/525616372.db2.gz UTXJFXAPJPCVIU-UHFFFAOYSA-N 1 0 405.542 4.068 50 0 HIAARO O=C(CCC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1)NCc1ccc(F)cc1 ZINC000020601504 526409094 /nfs/dbraw/zinc/40/90/94/526409094.db2.gz HDMMBTSVXACVRY-RUZDIDTESA-N 1 0 423.576 4.209 50 0 HIAARO Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000032972171 526573575 /nfs/dbraw/zinc/57/35/75/526573575.db2.gz ZSTVEDYPIYUYAJ-GOSISDBHSA-N 1 0 413.518 4.346 50 0 HIAARO O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000032975054 526636360 /nfs/dbraw/zinc/63/63/60/526636360.db2.gz HXUPGVWHUQEHMM-UHFFFAOYSA-N 1 0 416.569 4.464 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cs1 ZINC000032931236 526913267 /nfs/dbraw/zinc/91/32/67/526913267.db2.gz WNQIMNXJIVQCFI-INIZCTEOSA-N 1 0 403.617 4.376 50 0 HIAARO O=C(Nc1cc(C(=O)NCCCC[NH+]2CCCC2)ccc1Cl)c1cccs1 ZINC000032934765 527102883 /nfs/dbraw/zinc/10/28/83/527102883.db2.gz RLWOYSPRPDZZOP-UHFFFAOYSA-N 1 0 405.951 4.260 50 0 HIAARO O=C(Cc1csc(-c2ccccc2F)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032102474 527333821 /nfs/dbraw/zinc/33/38/21/527333821.db2.gz DDRCVWJLHFINLB-UHFFFAOYSA-N 1 0 409.530 4.273 50 0 HIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953151 527674289 /nfs/dbraw/zinc/67/42/89/527674289.db2.gz YQIHCCIGGWWZMM-UHFFFAOYSA-N 1 0 422.532 4.475 50 0 HIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000012639459 536424427 /nfs/dbraw/zinc/42/44/27/536424427.db2.gz PYXHJFMJMUNVBP-UHFFFAOYSA-N 1 0 419.500 4.409 50 0 HIAARO COCC[N@H+](C)Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1 ZINC000001549457 557271799 /nfs/dbraw/zinc/27/17/99/557271799.db2.gz AQINBUDFKZIGCN-UHFFFAOYSA-N 1 0 414.575 4.032 50 0 in-vitro HIAARO CC1(C)CSC2=[N+](c3ccccc3)[C@](O)(c3ccc(Br)cc3)CN21 ZINC000002597973 557359076 /nfs/dbraw/zinc/35/90/76/557359076.db2.gz GXSBNQXTSQUGDS-LJQANCHMSA-N 1 0 404.353 4.008 50 0 HIAARO C[C@H]([NH2+]Cc1cc(Br)ccc1OCC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000004670904 557579331 /nfs/dbraw/zinc/57/93/31/557579331.db2.gz NAKZDLJFCJYIBG-JHMRYYBSSA-N 1 0 421.379 4.008 50 0 HIAARO CCCC[N@H+](C)CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000004757409 557594862 /nfs/dbraw/zinc/59/48/62/557594862.db2.gz IXTSASKFVDMKOV-UHFFFAOYSA-N 1 0 416.635 4.313 50 0 HIAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326268 557781998 /nfs/dbraw/zinc/78/19/98/557781998.db2.gz YLSSNPLSWDRDOH-INIZCTEOSA-N 1 0 412.299 4.036 50 0 HIAARO O=C1CC[N@H+](C2CCN(Cc3ccccc3)CC2)CCN1Cc1ccccc1Cl ZINC000019732826 558260115 /nfs/dbraw/zinc/26/01/15/558260115.db2.gz SUORGCSXQYQWOL-UHFFFAOYSA-N 1 0 411.977 4.039 50 0 HIAARO CCn1nc(C)c(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000011754153 558272793 /nfs/dbraw/zinc/27/27/93/558272793.db2.gz TYUREOWLMOUIQD-UHFFFAOYSA-N 1 0 409.496 4.356 50 0 HIAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1 ZINC000011788226 558276718 /nfs/dbraw/zinc/27/67/18/558276718.db2.gz UTPVINSVUHNUEY-OAQYLSRUSA-N 1 0 416.924 4.423 50 0 HIAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000011815665 558279323 /nfs/dbraw/zinc/27/93/23/558279323.db2.gz QGSLJNRMOWOMJV-UHFFFAOYSA-N 1 0 408.542 4.063 50 0 HIAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@H](C)Cc1ncccc1C ZINC000019771160 558279739 /nfs/dbraw/zinc/27/97/39/558279739.db2.gz HZWYOSGQDNTGQJ-HXUWFJFHSA-N 1 0 419.573 4.083 50 0 HIAARO Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000019771359 558280057 /nfs/dbraw/zinc/28/00/57/558280057.db2.gz PEAXLJCQFFGJQQ-UHFFFAOYSA-N 1 0 407.543 4.386 50 0 HIAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)Cc2ccccn2)CC1 ZINC000011818087 558281208 /nfs/dbraw/zinc/28/12/08/558281208.db2.gz ZYJDQBAWINTQNT-UHFFFAOYSA-N 1 0 409.574 4.030 50 0 HIAARO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC ZINC000011818848 558282142 /nfs/dbraw/zinc/28/21/42/558282142.db2.gz PCXIFDHTXODMFO-LJQANCHMSA-N 1 0 408.502 4.225 50 0 HIAARO COc1ccc(-c2n[nH]cc2CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000019792649 558283415 /nfs/dbraw/zinc/28/34/15/558283415.db2.gz JVNIRXIZGJQQMJ-HSZRJFAPSA-N 1 0 404.558 4.224 50 0 HIAARO Cc1ccc(C[C@H](C)[NH+]2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)nc1 ZINC000011820585 558283955 /nfs/dbraw/zinc/28/39/55/558283955.db2.gz WIWNODXGXWYMTG-FQEVSTJZSA-N 1 0 407.558 4.100 50 0 HIAARO Cc1cccc(CNC(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000011874481 558292200 /nfs/dbraw/zinc/29/22/00/558292200.db2.gz VAVVCRPFMUAIRE-UHFFFAOYSA-N 1 0 415.537 4.363 50 0 HIAARO CC(C)=CC[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011910851 558296589 /nfs/dbraw/zinc/29/65/89/558296589.db2.gz LVHPXAHTECTCIK-JOCHJYFZSA-N 1 0 423.605 4.236 50 0 HIAARO CN(C(=O)c1ccc(-c2ncc[nH]2)s1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011936748 558300875 /nfs/dbraw/zinc/30/08/75/558300875.db2.gz FEQKHYHHVFAVJU-LJQANCHMSA-N 1 0 408.571 4.307 50 0 HIAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CC2C3CC4CC(C3)CC2C4)cc1 ZINC000011997364 558307109 /nfs/dbraw/zinc/30/71/09/558307109.db2.gz UHUYEUICTIQFOX-AEPNLLPJSA-N 1 0 424.585 4.016 50 0 HIAARO CCN(CC[NH+](CC)CC)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 ZINC000012022303 558309786 /nfs/dbraw/zinc/30/97/86/558309786.db2.gz VODIDQPROWFTEJ-UHFFFAOYSA-N 1 0 409.530 4.231 50 0 HIAARO CCOC(=O)C1(CCOC)CC[NH+]([C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012030986 558311106 /nfs/dbraw/zinc/31/11/06/558311106.db2.gz FOIAGZJGJOYZDI-INIZCTEOSA-N 1 0 401.469 4.318 50 0 HIAARO COC(=O)c1sc2nc(C[NH+]3CCC(C)CC3)ccc2c1NC(=O)c1ccco1 ZINC000012149301 558338625 /nfs/dbraw/zinc/33/86/25/558338625.db2.gz OYESHVCMXCYJNQ-UHFFFAOYSA-N 1 0 413.499 4.160 50 0 HIAARO O=C(C[C@H](c1cccc(O)c1)c1ccccc1O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000012203064 558351927 /nfs/dbraw/zinc/35/19/27/558351927.db2.gz IWQXARWYHKUIHA-HSZRJFAPSA-N 1 0 408.542 4.097 50 0 HIAARO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012204205 558352331 /nfs/dbraw/zinc/35/23/31/558352331.db2.gz BXTCSQSQVXODHA-OAQYLSRUSA-N 1 0 401.510 4.012 50 0 HIAARO Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000020295751 558354546 /nfs/dbraw/zinc/35/45/46/558354546.db2.gz IXJIZTJXPYRIDY-JOCHJYFZSA-N 1 0 406.961 4.452 50 0 HIAARO O=c1c2c3c(sc2ncn1CCc1cccc(F)c1)C[C@@H]([NH2+]C1CCCC1)CC3 ZINC000012218635 558354774 /nfs/dbraw/zinc/35/47/74/558354774.db2.gz XNYRGSVUIXYEBI-SFHVURJKSA-N 1 0 411.546 4.229 50 0 HIAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cn1 ZINC000012308294 558376731 /nfs/dbraw/zinc/37/67/31/558376731.db2.gz LMSVFGGLCPKEQL-HXUWFJFHSA-N 1 0 402.498 4.257 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000012313849 558377499 /nfs/dbraw/zinc/37/74/99/558377499.db2.gz MRCFXSOVYMBYJM-UHFFFAOYSA-N 1 0 403.526 4.326 50 0 HIAARO CN(Cc1ccsc1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012317927 558381162 /nfs/dbraw/zinc/38/11/62/558381162.db2.gz KNYMKRCZLZIJFK-UHFFFAOYSA-N 1 0 421.566 4.459 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cnn(CC)c2C)CC1 ZINC000012385314 558394195 /nfs/dbraw/zinc/39/41/95/558394195.db2.gz KRTVKMDVWPGNBE-UHFFFAOYSA-N 1 0 403.954 4.253 50 0 HIAARO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000020688659 558400597 /nfs/dbraw/zinc/40/05/97/558400597.db2.gz GDWYPEYBDHHGGV-MRESUBBGSA-N 1 0 401.576 4.068 50 0 HIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000012431316 558405696 /nfs/dbraw/zinc/40/56/96/558405696.db2.gz OKARRFNWDDKAGJ-UHFFFAOYSA-N 1 0 403.526 4.260 50 0 HIAARO Cc1ccc(CN(C)C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000012435906 558408859 /nfs/dbraw/zinc/40/88/59/558408859.db2.gz GOGBHBINYCZCPG-UHFFFAOYSA-N 1 0 419.525 4.299 50 0 HIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012437933 558409476 /nfs/dbraw/zinc/40/94/76/558409476.db2.gz AMMHVSJYXZXGOV-QGZVFWFLSA-N 1 0 414.431 4.381 50 0 HIAARO CCN(Cc1ccc(COC)o1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012437972 558409811 /nfs/dbraw/zinc/40/98/11/558409811.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 1 0 400.563 4.211 50 0 HIAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000020781598 558412772 /nfs/dbraw/zinc/41/27/72/558412772.db2.gz RKUNFRCIRXIYHO-JOCHJYFZSA-N 1 0 403.492 4.492 50 0 HIAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000020781601 558412800 /nfs/dbraw/zinc/41/28/00/558412800.db2.gz RKUNFRCIRXIYHO-QFIPXVFZSA-N 1 0 403.492 4.492 50 0 HIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CSc1ccccn1 ZINC000012448519 558415444 /nfs/dbraw/zinc/41/54/44/558415444.db2.gz DYNATCMNYZAFBY-UHFFFAOYSA-N 1 0 411.615 4.285 50 0 HIAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1cc(-c2ccccc2)on1 ZINC000012450841 558416022 /nfs/dbraw/zinc/41/60/22/558416022.db2.gz VUGOBBQDTZVXJT-OAQYLSRUSA-N 1 0 423.488 4.030 50 0 HIAARO CCN1C[C@@H](C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012469468 558421454 /nfs/dbraw/zinc/42/14/54/558421454.db2.gz DSYZWFLJFPZTBF-OAQYLSRUSA-N 1 0 416.569 4.456 50 0 HIAARO O=C(c1nc2ccccn2c1C[NH2+]CC(c1ccccc1)c1ccccc1)N1CCCC1 ZINC000020999237 558427697 /nfs/dbraw/zinc/42/76/97/558427697.db2.gz WLGXWPMRXQXHMS-UHFFFAOYSA-N 1 0 424.548 4.492 50 0 HIAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@H]1COCCO1 ZINC000012708924 558451392 /nfs/dbraw/zinc/45/13/92/558451392.db2.gz OSLAWSJQLYPLFO-QFIPXVFZSA-N 1 0 417.509 4.192 50 0 HIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)NCc1ccccc1Cl ZINC000012714242 558454383 /nfs/dbraw/zinc/45/43/83/558454383.db2.gz CKGVHRBXJNMEBC-MRXNPFEDSA-N 1 0 412.921 4.185 50 0 HIAARO CC(C)[NH+](CCNC[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C(C)C ZINC000022030106 558458998 /nfs/dbraw/zinc/45/89/98/558458998.db2.gz XWEGKKKIRHQVSS-DEOSSOPVSA-N 1 0 412.618 4.461 50 0 HIAARO CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)c(C)n1 ZINC000012756736 558460127 /nfs/dbraw/zinc/46/01/27/558460127.db2.gz MADHZUAHDJZKME-FQEVSTJZSA-N 1 0 404.558 4.397 50 0 HIAARO Clc1ccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)c(Cl)c1 ZINC000022074069 558462165 /nfs/dbraw/zinc/46/21/65/558462165.db2.gz QZQPGRCFZSNHQZ-UHFFFAOYSA-N 1 0 409.357 4.384 50 0 HIAARO CC(C)[C@@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000012794526 558467650 /nfs/dbraw/zinc/46/76/50/558467650.db2.gz FKAUAKAPAYJVPS-PXDATVDWSA-N 1 0 408.542 4.328 50 0 HIAARO COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1Br)[NH+]1CCCC1 ZINC000012820910 558476913 /nfs/dbraw/zinc/47/69/13/558476913.db2.gz USZCLEXQXJABCI-SFHVURJKSA-N 1 0 421.310 4.164 50 0 HIAARO CC(=O)c1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000012835276 558477930 /nfs/dbraw/zinc/47/79/30/558477930.db2.gz SJXCSQZUJYCAQG-NRFANRHFSA-N 1 0 418.603 4.227 50 0 HIAARO CN(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccccc1 ZINC000022384881 558485233 /nfs/dbraw/zinc/48/52/33/558485233.db2.gz DHLKTJMVYVBSBP-RUZDIDTESA-N 1 0 411.553 4.197 50 0 HIAARO COc1ccc(Br)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000012987265 558495864 /nfs/dbraw/zinc/49/58/64/558495864.db2.gz DKROEEVYXFQLNJ-UHFFFAOYSA-N 1 0 417.347 4.374 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)[NH+]2CCCC2)cc1 ZINC000022620344 558503142 /nfs/dbraw/zinc/50/31/42/558503142.db2.gz ZJFYMNUTKOXWHI-JOCHJYFZSA-N 1 0 423.557 4.247 50 0 HIAARO COc1ccc([C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)N(C)C)cc1OC ZINC000022799908 558512745 /nfs/dbraw/zinc/51/27/45/558512745.db2.gz VBGQPVXMBUJCRA-IBGZPJMESA-N 1 0 414.937 4.140 50 0 HIAARO C[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013118117 558516793 /nfs/dbraw/zinc/51/67/93/558516793.db2.gz CLYSWRYARIPNPG-UHFFFAOYSA-N 1 0 415.946 4.046 50 0 HIAARO CC[NH+]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860257 558517431 /nfs/dbraw/zinc/51/74/31/558517431.db2.gz DCAZNNZZFVUJFM-NRFANRHFSA-N 1 0 423.384 4.098 50 0 HIAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1cccc2ccccc21 ZINC000023095822 558534083 /nfs/dbraw/zinc/53/40/83/558534083.db2.gz KTNJYVADVLQUKJ-UHFFFAOYSA-N 1 0 403.570 4.365 50 0 HIAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000023128616 558536263 /nfs/dbraw/zinc/53/62/63/558536263.db2.gz HACPLZFFGBVWHX-HSZRJFAPSA-N 1 0 410.949 4.147 50 0 HIAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000013595954 558547131 /nfs/dbraw/zinc/54/71/31/558547131.db2.gz NHLOOCPVEAETNU-LJQANCHMSA-N 1 0 411.546 4.043 50 0 HIAARO Cn1cc(CC[N@H+](C)Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)cn1 ZINC000023367141 558552967 /nfs/dbraw/zinc/55/29/67/558552967.db2.gz CHNSOIQQYNXGPG-UHFFFAOYSA-N 1 0 401.514 4.287 50 0 HIAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000023373027 558553128 /nfs/dbraw/zinc/55/31/28/558553128.db2.gz MLBSVHMNARQEKM-MHZLTWQESA-N 1 0 420.645 4.499 50 0 HIAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375164 558554978 /nfs/dbraw/zinc/55/49/78/558554978.db2.gz PRZSXUPHVPNYCK-FQEVSTJZSA-N 1 0 406.549 4.402 50 0 HIAARO COc1cc(Br)cc(C[NH2+]CCCCCO)c1OCc1ccccc1 ZINC000013727309 558584996 /nfs/dbraw/zinc/58/49/96/558584996.db2.gz SHJZNNPCQURPGW-UHFFFAOYSA-N 1 0 408.336 4.289 50 0 HIAARO CSc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCC4)n21)CC[C@H](C)C3 ZINC000013728024 558585419 /nfs/dbraw/zinc/58/54/19/558585419.db2.gz QRRDRMYWWZKQLG-LBPRGKRZSA-N 1 0 419.645 4.374 50 0 HIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014121967 558622467 /nfs/dbraw/zinc/62/24/67/558622467.db2.gz GXKPHJPMKFZRPH-UHFFFAOYSA-N 1 0 400.526 4.276 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)[NH+](C)C)c1 ZINC000014182286 558628747 /nfs/dbraw/zinc/62/87/47/558628747.db2.gz IYWQOUGWXGNQAS-IBGZPJMESA-N 1 0 402.585 4.207 50 0 HIAARO CC(C)c1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2cnn(C(C)C)c2n1 ZINC000014190142 558632396 /nfs/dbraw/zinc/63/23/96/558632396.db2.gz KMQFDKJDZFYZFB-FQEVSTJZSA-N 1 0 409.534 4.296 50 0 HIAARO COc1cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)N1CCCC1 ZINC000025261410 558636238 /nfs/dbraw/zinc/63/62/38/558636238.db2.gz JRLKMHVEKAPXBH-UHFFFAOYSA-N 1 0 422.447 4.005 50 0 HIAARO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)c12 ZINC000025331760 558638620 /nfs/dbraw/zinc/63/86/20/558638620.db2.gz ILMRBUANCABAEJ-LJQANCHMSA-N 1 0 406.511 4.292 50 0 HIAARO COc1ccc(OCC[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000014240809 558643689 /nfs/dbraw/zinc/64/36/89/558643689.db2.gz IAXJLUTXCOHRLP-UHFFFAOYSA-N 1 0 423.509 4.460 50 0 HIAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)c1 ZINC000026121002 558655701 /nfs/dbraw/zinc/65/57/01/558655701.db2.gz FAFPPLMGKVZLMG-UHFFFAOYSA-N 1 0 406.530 4.131 50 0 HIAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026925065 558667248 /nfs/dbraw/zinc/66/72/48/558667248.db2.gz QSEBPUJSBXPXEI-GOSISDBHSA-N 1 0 409.505 4.304 50 0 HIAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000014746674 558669339 /nfs/dbraw/zinc/66/93/39/558669339.db2.gz XTEXSDZAEYXYRD-NRFANRHFSA-N 1 0 420.601 4.005 50 0 HIAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCc1ccccc1Cl ZINC000014878800 558675274 /nfs/dbraw/zinc/67/52/74/558675274.db2.gz ZLFVKTHTCJNMLB-IBGZPJMESA-N 1 0 404.913 4.071 50 0 HIAARO COc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027663583 558678929 /nfs/dbraw/zinc/67/89/29/558678929.db2.gz ZHFCYZFPIOLTBC-XMMPIXPASA-N 1 0 410.558 4.424 50 0 HIAARO Cc1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)cc1F ZINC000014952191 558681221 /nfs/dbraw/zinc/68/12/21/558681221.db2.gz SLJJMBMGYZQEMJ-KRWDZBQOSA-N 1 0 418.896 4.187 50 0 HIAARO COc1cc(C)c(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)C)cc1C ZINC000014960769 558683785 /nfs/dbraw/zinc/68/37/85/558683785.db2.gz BLBPVNDVKBENCH-RTWAWAEBSA-N 1 0 416.562 4.275 50 0 HIAARO O=C(C1CCCC1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014968289 558686632 /nfs/dbraw/zinc/68/66/32/558686632.db2.gz RDEVDEVLDBDFEA-JOCHJYFZSA-N 1 0 402.554 4.236 50 0 HIAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[NH+]2CCCCC2)cc1 ZINC000027990329 558688158 /nfs/dbraw/zinc/68/81/58/558688158.db2.gz UCMJZFJBSKYJOI-HYBUGGRVSA-N 1 0 410.558 4.423 50 0 HIAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287983 558695143 /nfs/dbraw/zinc/69/51/43/558695143.db2.gz XBWXHJDYQVDVIF-HXUWFJFHSA-N 1 0 411.933 4.113 50 0 HIAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000015000617 558697629 /nfs/dbraw/zinc/69/76/29/558697629.db2.gz BVPVWGJYCGRMJF-FQEVSTJZSA-N 1 0 408.571 4.496 50 0 HIAARO Cc1c(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015062218 558704992 /nfs/dbraw/zinc/70/49/92/558704992.db2.gz JOHMLWSSQFTPDX-JOCHJYFZSA-N 1 0 404.558 4.178 50 0 HIAARO COc1ccc(NC(=O)CCC2CC[NH+](C3Cc4ccccc4C3)CC2)c(OC)c1 ZINC000015066533 558709455 /nfs/dbraw/zinc/70/94/55/558709455.db2.gz PLWBFGZZEMYJQD-UHFFFAOYSA-N 1 0 408.542 4.302 50 0 HIAARO O=C(CCC1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1)N1CCOCC1 ZINC000015075639 558716110 /nfs/dbraw/zinc/71/61/10/558716110.db2.gz UPOVPUJGNDMKJF-UHFFFAOYSA-N 1 0 404.554 4.109 50 0 HIAARO CCOc1ccc(-c2n[nH]cc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000071011342 558753429 /nfs/dbraw/zinc/75/34/29/558753429.db2.gz QASQGXRWYFQDPV-UHFFFAOYSA-N 1 0 416.953 4.219 50 0 HIAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087217 558760605 /nfs/dbraw/zinc/76/06/05/558760605.db2.gz RDWXHMKITLLLOX-IBGZPJMESA-N 1 0 402.922 4.330 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccc(C)cc3)nc21 ZINC000004585258 558775696 /nfs/dbraw/zinc/77/56/96/558775696.db2.gz QGTRJFRZZKSYAJ-UHFFFAOYSA-N 1 0 415.584 4.300 50 0 HIAARO CCOc1ccc(Cl)c(C(=O)OC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)n1 ZINC000072310647 558777496 /nfs/dbraw/zinc/77/74/96/558777496.db2.gz PQYVLJAMOZKEMH-HRAATJIYSA-N 1 0 418.921 4.382 50 0 HIAARO [NH3+]C1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1 ZINC000036382821 558799601 /nfs/dbraw/zinc/79/96/01/558799601.db2.gz ULDXWLCXEDXJGE-UHFFFAOYSA-N 1 0 407.477 4.243 50 0 investigational HIAARO COc1ccc(CCNC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000016694824 558800603 /nfs/dbraw/zinc/80/06/03/558800603.db2.gz GCPUXEVXXWNLPT-IBGZPJMESA-N 1 0 418.537 4.380 50 0 HIAARO CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016752232 558805032 /nfs/dbraw/zinc/80/50/32/558805032.db2.gz WAUVXIYCHOZRSF-QFIPXVFZSA-N 1 0 404.510 4.161 50 0 HIAARO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1C ZINC000017090852 558819604 /nfs/dbraw/zinc/81/96/04/558819604.db2.gz UQLDLRYJQUAKCI-UHFFFAOYSA-N 1 0 416.631 4.195 50 0 HIAARO COc1ccc(CN2C(=O)C[C@H]([NH+]3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000018220150 558833975 /nfs/dbraw/zinc/83/39/75/558833975.db2.gz UYDBJHUPNWSABI-DEOSSOPVSA-N 1 0 420.553 4.058 50 0 HIAARO Cc1nccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301054 558866467 /nfs/dbraw/zinc/86/64/67/558866467.db2.gz ZFDCVTKHWPRCNB-VWLOTQADSA-N 1 0 408.590 4.220 50 0 HIAARO CC[N@H+](Cc1ccccc1)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)C1CC1 ZINC000055166583 558874717 /nfs/dbraw/zinc/87/47/17/558874717.db2.gz HZKMIKNJWJTVGR-UHFFFAOYSA-N 1 0 423.538 4.454 50 0 HIAARO CCCC[C@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000055226053 558876826 /nfs/dbraw/zinc/87/68/26/558876826.db2.gz DHJNDRBXNKSWBP-QFIPXVFZSA-N 1 0 405.542 4.438 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000033129651 558885435 /nfs/dbraw/zinc/88/54/35/558885435.db2.gz ZCWQQGYRCPYHSV-UHFFFAOYSA-N 1 0 408.477 4.149 50 0 HIAARO O=C([C@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCOCC1 ZINC000058043805 558896446 /nfs/dbraw/zinc/89/64/46/558896446.db2.gz BRLBZHFQIWBQJS-QFIPXVFZSA-N 1 0 421.566 4.076 50 0 HIAARO CN(C)N1c2cc(Cl)ccc2[C@](CCC[NH+](C)C)(c2ccc(Cl)cc2)C1=O ZINC000071767294 558910588 /nfs/dbraw/zinc/91/05/88/558910588.db2.gz GLYRAQFIAGUZGJ-NRFANRHFSA-N 1 0 406.357 4.445 50 0 HIAARO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@@H](C)O1 ZINC000058224456 558913403 /nfs/dbraw/zinc/91/34/03/558913403.db2.gz ANWUSQFGMAREHE-WOJBJXKFSA-N 1 0 408.542 4.440 50 0 HIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)[C@@H]2CCN(C)C2)cc1OC ZINC000072428228 558979089 /nfs/dbraw/zinc/97/90/89/558979089.db2.gz BVUIFIDEHJZEQR-OAQYLSRUSA-N 1 0 405.542 4.363 50 0 HIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](C/C=C/c4ccccc4)C3)C2=O)c1OC ZINC000072429561 558979218 /nfs/dbraw/zinc/97/92/18/558979218.db2.gz DRCHLXCKNNMAFX-UWAOBNACSA-N 1 0 420.553 4.232 50 0 HIAARO COc1ccc(OC)c(-c2nc3cc4c(cc3cc2C[NH+]2CCSCC2)OCO4)c1 ZINC000072433251 558979674 /nfs/dbraw/zinc/97/96/74/558979674.db2.gz UIDBTZCERUAMIA-UHFFFAOYSA-N 1 0 424.522 4.197 50 0 HIAARO [NH3+]Cc1ccc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 ZINC000067690643 558991464 /nfs/dbraw/zinc/99/14/64/558991464.db2.gz XLDIJBFQGFREMT-UHFFFAOYSA-N 1 0 401.388 4.281 50 0 HIAARO CCOC(=O)N1CCC([NH2+]C[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)CC1 ZINC000097165681 558998573 /nfs/dbraw/zinc/99/85/73/558998573.db2.gz CUHHFLCIUQBESS-JOCHJYFZSA-N 1 0 407.514 4.057 50 0 HIAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023115052 559012707 /nfs/dbraw/zinc/01/27/07/559012707.db2.gz XWUUVGXUGVNPOO-YIEZCRKJSA-N 1 0 419.009 4.056 50 0 HIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)C1 ZINC000033278932 559042274 /nfs/dbraw/zinc/04/22/74/559042274.db2.gz OXOGLCFKVYNZCU-SFHVURJKSA-N 1 0 404.514 4.255 50 0 HIAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000023224614 559062519 /nfs/dbraw/zinc/06/25/19/559062519.db2.gz PHCCZFFVZJQBIK-NFOQDIRWSA-N 1 0 409.014 4.444 50 0 HIAARO O=C1CCC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)CN1Cc1ccncc1 ZINC000091518785 559071972 /nfs/dbraw/zinc/07/19/72/559071972.db2.gz XGOVXEDOQAIWAJ-UHFFFAOYSA-N 1 0 401.913 4.279 50 0 HIAARO COc1ccc(C[C@](O)(c2ccc(OC)cc2)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000095918113 559089048 /nfs/dbraw/zinc/08/90/48/559089048.db2.gz XTXLAJQCOUOATO-SANMLTNESA-N 1 0 421.537 4.123 50 0 HIAARO CCOc1ccccc1C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000328597105 559171529 /nfs/dbraw/zinc/17/15/29/559171529.db2.gz DNARRLUBZPPEQL-UHFFFAOYSA-N 1 0 420.351 4.231 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(F)c(F)c3)c(C)c2)CC1 ZINC000023793397 559181073 /nfs/dbraw/zinc/18/10/73/559181073.db2.gz YISDZHJHKKSWLN-UHFFFAOYSA-N 1 0 405.514 4.146 50 0 HIAARO c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCN1CCOCC1 ZINC000023956426 559186325 /nfs/dbraw/zinc/18/63/25/559186325.db2.gz NQSSKHDMPQQNEH-UHFFFAOYSA-N 1 0 416.525 4.097 50 0 HIAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000004888793 559197759 /nfs/dbraw/zinc/19/77/59/559197759.db2.gz QPAYQFBORIQOID-JOCHJYFZSA-N 1 0 421.541 4.448 50 0 HIAARO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)sc3c2c1 ZINC000004950740 559215696 /nfs/dbraw/zinc/21/56/96/559215696.db2.gz XQFQRXKBLWJNGX-HOTGVXAUSA-N 1 0 411.571 4.149 50 0 HIAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3NC2=O)cc1 ZINC000005035915 559232376 /nfs/dbraw/zinc/23/23/76/559232376.db2.gz ADVYZFALYGZPEN-PXLXIMEGSA-N 1 0 421.566 4.296 50 0 HIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000005092636 559244075 /nfs/dbraw/zinc/24/40/75/559244075.db2.gz XNMQVBDVPHHCNR-OAQYLSRUSA-N 1 0 407.514 4.059 50 0 HIAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)CSc3ccc(F)cc3)sc2c1 ZINC000005239580 560548933 /nfs/dbraw/zinc/54/89/33/560548933.db2.gz LZHFERFDNPQSTL-UHFFFAOYSA-N 1 0 419.547 4.131 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(SC)cc3)nc21 ZINC000005242638 560549651 /nfs/dbraw/zinc/54/96/51/560549651.db2.gz OPWLDZTYUDXBNU-UHFFFAOYSA-N 1 0 401.557 4.235 50 0 HIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccccc3SC)nc21 ZINC000005242633 560549677 /nfs/dbraw/zinc/54/96/77/560549677.db2.gz NXNINMNCOYQCMD-UHFFFAOYSA-N 1 0 401.557 4.235 50 0 HIAARO COCCn1ccc2c1cccc2C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000409414499 560723314 /nfs/dbraw/zinc/72/33/14/560723314.db2.gz LGCQXKCDNFDHIC-UHFFFAOYSA-N 1 0 407.514 4.015 50 0 HIAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000102739783 560824824 /nfs/dbraw/zinc/82/48/24/560824824.db2.gz QPJHFYHVBGKHGY-GPXOXTDOSA-N 1 0 408.542 4.310 50 0 HIAARO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000104938375 560856927 /nfs/dbraw/zinc/85/69/27/560856927.db2.gz KBVHYBNEXMSFOC-VGOFRKELSA-N 1 0 413.562 4.198 50 0 HIAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000105007918 560859704 /nfs/dbraw/zinc/85/97/04/560859704.db2.gz LHUSIVTYHUMTPL-HRAATJIYSA-N 1 0 423.488 4.107 50 0 HIAARO COc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3F)C2)c1 ZINC000105008191 560859718 /nfs/dbraw/zinc/85/97/18/560859718.db2.gz FBNLNXKWUIVBNV-GAJHUEQPSA-N 1 0 409.505 4.386 50 0 HIAARO CC(C)[N@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCC[C@H]1O ZINC000107538054 560896594 /nfs/dbraw/zinc/89/65/94/560896594.db2.gz IXSQVEZGBODXMZ-NWDGAFQWSA-N 1 0 400.342 4.075 50 0 HIAARO CCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697449 568415485 /nfs/dbraw/zinc/41/54/85/568415485.db2.gz RWPNGLFOUGEQOZ-RUZDIDTESA-N 1 0 417.553 4.321 50 0 HIAARO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000048236992 568432953 /nfs/dbraw/zinc/43/29/53/568432953.db2.gz UMCJPQPNTQFBBU-MRXNPFEDSA-N 1 0 416.591 4.363 50 0 HIAARO Cc1nc(CSCC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000048354666 568441118 /nfs/dbraw/zinc/44/11/18/568441118.db2.gz WTOQISDEDMRGGC-IAGOWNOFSA-N 1 0 417.644 4.479 50 0 HIAARO COc1cc(-c2cc(-c3ccc(N4CC[NH2+]CC4)cc3)cnc2C)cc(OC)c1OC ZINC000215969064 568462734 /nfs/dbraw/zinc/46/27/34/568462734.db2.gz BHUXVRVMMYAXKN-UHFFFAOYSA-N 1 0 419.525 4.159 50 0 in-vitro HIAARO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O ZINC000033530733 568515764 /nfs/dbraw/zinc/51/57/64/568515764.db2.gz MFKMWPPDOJJCNN-SANMLTNESA-N 1 0 411.505 4.354 50 0 HIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCC[C@@H](C)C4)ccc3n2)CC1 ZINC000020153526 568590836 /nfs/dbraw/zinc/59/08/36/568590836.db2.gz XXUIMDJNJTYWQD-QGZVFWFLSA-N 1 0 411.619 4.114 50 0 HIAARO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020347337 568599299 /nfs/dbraw/zinc/59/92/99/568599299.db2.gz DPRDNKDXRHRNMD-HXUWFJFHSA-N 1 0 402.966 4.199 50 0 HIAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000095397785 568604578 /nfs/dbraw/zinc/60/45/78/568604578.db2.gz JDLDWQAGLANKKN-MRXNPFEDSA-N 1 0 406.448 4.426 50 0 HIAARO CC[NH+]1CCC(N(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)C2CC2)CC1 ZINC000095446539 568611903 /nfs/dbraw/zinc/61/19/03/568611903.db2.gz WCHRZJVWQKAREK-UHFFFAOYSA-N 1 0 413.591 4.345 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446459 568611924 /nfs/dbraw/zinc/61/19/24/568611924.db2.gz UGZJUICQOFVDAB-NHCUHLMSSA-N 1 0 407.002 4.449 50 0 HIAARO Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446458 568612038 /nfs/dbraw/zinc/61/20/38/568612038.db2.gz UGZJUICQOFVDAB-SFTDATJTSA-N 1 0 407.002 4.449 50 0 HIAARO Brc1ccc([C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccco2)cc1 ZINC000095466826 568624392 /nfs/dbraw/zinc/62/43/92/568624392.db2.gz XWCYOLVQPLGVOW-FQEVSTJZSA-N 1 0 415.335 4.282 50 0 HIAARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000095467039 568624573 /nfs/dbraw/zinc/62/45/73/568624573.db2.gz ZSCQSRHFJMMKOX-CQSZACIVSA-N 1 0 409.456 4.085 50 0 HIAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000020677984 568639843 /nfs/dbraw/zinc/63/98/43/568639843.db2.gz OUIDUDPWTLAXKF-UHFFFAOYSA-N 1 0 411.594 4.103 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728572 568640538 /nfs/dbraw/zinc/64/05/38/568640538.db2.gz GJQKEFPVAFOKAX-OQKWZONESA-N 1 0 421.566 4.378 50 0 HIAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cccc(Cl)c4)c(C)c32)CC1 ZINC000020762646 568642633 /nfs/dbraw/zinc/64/26/33/568642633.db2.gz CQOLBZDHYAXRJR-UHFFFAOYSA-N 1 0 415.950 4.047 50 0 HIAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(F)c(F)c1 ZINC000020766697 568643336 /nfs/dbraw/zinc/64/33/36/568643336.db2.gz XVTWVYBEZLBLEI-UHFFFAOYSA-N 1 0 419.475 4.291 50 0 HIAARO CCOc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020927246 568651515 /nfs/dbraw/zinc/65/15/15/568651515.db2.gz UOKWIEODTWVXMC-UHFFFAOYSA-N 1 0 410.543 4.247 50 0 HIAARO COc1ccc(-c2noc(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)n2)cc1OC ZINC000020930919 568651880 /nfs/dbraw/zinc/65/18/80/568651880.db2.gz MTWRSQFRMFNKSY-UHFFFAOYSA-N 1 0 422.529 4.386 50 0 HIAARO CCOC(=O)c1c(C)oc2ncnc(NCC3CC[NH+](Cc4ccccc4C)CC3)c21 ZINC000020942027 568652844 /nfs/dbraw/zinc/65/28/44/568652844.db2.gz XLIRCTRTQGRJNN-UHFFFAOYSA-N 1 0 422.529 4.340 50 0 HIAARO CCC[NH+](CCC)CC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000095851920 568653999 /nfs/dbraw/zinc/65/39/99/568653999.db2.gz VAUCCFCCCXZMCX-FQEVSTJZSA-N 1 0 409.574 4.037 50 0 HIAARO CCCC[N@H+](CC)CCCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020980121 568654598 /nfs/dbraw/zinc/65/45/98/568654598.db2.gz PWBHCZSJVPNCSE-UHFFFAOYSA-N 1 0 407.562 4.213 50 0 HIAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc2c1SCCC2=O ZINC000021103222 568666539 /nfs/dbraw/zinc/66/65/39/568666539.db2.gz HUTYXTUXPXWAHA-UHFFFAOYSA-N 1 0 412.530 4.146 50 0 HIAARO CC[C@H](CO)[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc21 ZINC000096114082 568693604 /nfs/dbraw/zinc/69/36/04/568693604.db2.gz SSUGIRRWLQPGAW-QGZVFWFLSA-N 1 0 406.482 4.387 50 0 HIAARO Cc1nn2c(ncc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2C)c1-c1cccc(C)c1 ZINC000021537906 568712999 /nfs/dbraw/zinc/71/29/99/568712999.db2.gz KZGYJTLTKXSMKY-GOSISDBHSA-N 1 0 419.573 4.173 50 0 HIAARO CCC(CC)[C@H](CNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000229832448 568715502 /nfs/dbraw/zinc/71/55/02/568715502.db2.gz VEGQMDIGUADHKZ-YDHSSHFGSA-N 1 0 416.610 4.322 50 0 HIAARO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc(I)c1O ZINC000229912474 568716050 /nfs/dbraw/zinc/71/60/50/568716050.db2.gz JZAASMHKFMEDIL-DZGCQCFKSA-N 1 0 401.288 4.160 50 0 HIAARO CCOCCC[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248321433 568748423 /nfs/dbraw/zinc/74/84/23/568748423.db2.gz UPAHRUZXKQNUFN-UHFFFAOYSA-N 1 0 402.901 4.302 50 0 HIAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)o1 ZINC000055559350 568779308 /nfs/dbraw/zinc/77/93/08/568779308.db2.gz UEWDKEOFOPAQLN-UHFFFAOYSA-N 1 0 414.424 4.418 50 0 HIAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000005831053 568825102 /nfs/dbraw/zinc/82/51/02/568825102.db2.gz HUGDWXCEORTDQI-DEOSSOPVSA-N 1 0 410.602 4.286 50 0 HIAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000057318488 568826823 /nfs/dbraw/zinc/82/68/23/568826823.db2.gz VPNHBLREEGBQTI-ZDUSSCGKSA-N 1 0 407.308 4.146 50 0 HIAARO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000057318489 568826901 /nfs/dbraw/zinc/82/69/01/568826901.db2.gz VPNHBLREEGBQTI-CYBMUJFWSA-N 1 0 407.308 4.146 50 0 HIAARO COc1ccc(C[NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000005936010 568830489 /nfs/dbraw/zinc/83/04/89/568830489.db2.gz PNUUMSFMETUGDF-GJZUVCINSA-N 1 0 421.537 4.269 50 0 HIAARO CCCC[NH+]1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427864 568835901 /nfs/dbraw/zinc/83/59/01/568835901.db2.gz GDCKWXARGZLMKN-UHFFFAOYSA-N 1 0 406.530 4.233 50 0 HIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)c(C)c2)CC1 ZINC000012535521 568845242 /nfs/dbraw/zinc/84/52/42/568845242.db2.gz JBVXDYFZMUEFLI-UHFFFAOYSA-N 1 0 403.530 4.088 50 0 HIAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccccc1 ZINC000012546150 568850614 /nfs/dbraw/zinc/85/06/14/568850614.db2.gz IHNZYUDJVJJLKU-QHCPKHFHSA-N 1 0 419.525 4.452 50 0 HIAARO Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000230140449 568852417 /nfs/dbraw/zinc/85/24/17/568852417.db2.gz XQZVPFJRKSLDTP-RTWAWAEBSA-N 1 0 414.594 4.010 50 0 HIAARO C[NH+](C)CCCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000003236558 568865729 /nfs/dbraw/zinc/86/57/29/568865729.db2.gz KBIWONSGSLIFFM-UHFFFAOYSA-N 1 0 419.934 4.191 50 0 HIAARO COc1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc1OC ZINC000299758549 568872841 /nfs/dbraw/zinc/87/28/41/568872841.db2.gz MPAQLXIVOAZSDL-ZCNNSNEGSA-N 1 0 405.498 4.371 50 0 HIAARO CSCCC[NH2+]C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000299769045 568874003 /nfs/dbraw/zinc/87/40/03/568874003.db2.gz IJVDILWNKOZBDG-UHFFFAOYSA-N 1 0 423.626 4.197 50 0 HIAARO CSc1ccc2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c(=O)n(CC(C)C)c2c1 ZINC000299786053 568875377 /nfs/dbraw/zinc/87/53/77/568875377.db2.gz MQSQQQHFBYMWDE-LJQANCHMSA-N 1 0 424.566 4.309 50 0 HIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1ccc(OC(C)C)cc1 ZINC000263585080 568878532 /nfs/dbraw/zinc/87/85/32/568878532.db2.gz DXDWXKHWFDVNBO-LADGPHEKSA-N 1 0 416.606 4.146 50 0 HIAARO COc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC000003422559 568900264 /nfs/dbraw/zinc/90/02/64/568900264.db2.gz RGDNNHVBAWSEKK-LJQANCHMSA-N 1 0 403.320 4.025 50 0 HIAARO C[N@H+](CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)C1CCCCC1 ZINC000015774007 568919739 /nfs/dbraw/zinc/91/97/39/568919739.db2.gz DMSHRYBECIZLFZ-DEOSSOPVSA-N 1 0 419.569 4.029 50 0 HIAARO CC1CC[NH+]([C@@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000012737886 568925347 /nfs/dbraw/zinc/92/53/47/568925347.db2.gz NZNDYWZDKGDCGQ-QFIPXVFZSA-N 1 0 422.598 4.456 50 0 HIAARO C[N@@H+]1CCCN(c2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000012737884 568925367 /nfs/dbraw/zinc/92/53/67/568925367.db2.gz AVTGMLGEOGMKAC-UHFFFAOYSA-N 1 0 403.349 4.263 50 0 HIAARO COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004122651 568944954 /nfs/dbraw/zinc/94/49/54/568944954.db2.gz TVABCJUMHOCHBW-UHFFFAOYSA-N 1 0 417.962 4.461 50 0 HIAARO Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000012762159 568946285 /nfs/dbraw/zinc/94/62/85/568946285.db2.gz BRYZDWRJLMUOQF-GOSISDBHSA-N 1 0 402.589 4.017 50 0 HIAARO COc1ccccc1OCCC(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000084705609 568956181 /nfs/dbraw/zinc/95/61/81/568956181.db2.gz RCHNPYXQXLBOJO-PMACEKPBSA-N 1 0 410.558 4.079 50 0 HIAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000008373811 568995670 /nfs/dbraw/zinc/99/56/70/568995670.db2.gz SHMVUPNTJPRUSU-IBGZPJMESA-N 1 0 414.864 4.082 50 0 HIAARO COc1ccc(-n2nnnc2C2([NH2+]CCc3c[nH]c4ccccc34)CCCCC2)cc1 ZINC000575443715 569028538 /nfs/dbraw/zinc/02/85/38/569028538.db2.gz JCKBIZIQHZNZHZ-UHFFFAOYSA-N 1 0 416.529 4.144 50 0 HIAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372538 569033879 /nfs/dbraw/zinc/03/38/79/569033879.db2.gz MAZUDXQKMNRLJX-UHFFFAOYSA-N 1 0 424.545 4.129 50 0 HIAARO O=C(C1c2ccccc2Oc2ccccc21)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575616933 569037166 /nfs/dbraw/zinc/03/71/66/569037166.db2.gz SXSSGACGQMKSOM-UHFFFAOYSA-N 1 0 408.567 4.354 50 0 HIAARO Cc1ccc(NC(=O)N2CCC(CC(=O)NCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000035529028 569044115 /nfs/dbraw/zinc/04/41/15/569044115.db2.gz BSPVYYNSQIZZPP-UHFFFAOYSA-N 1 0 414.594 4.010 50 0 HIAARO COc1cccc([C@H](CNC(=O)c2cnn(-c3cccc(C)c3)c2C)[NH+]2CCCC2)c1 ZINC000013003995 569049455 /nfs/dbraw/zinc/04/94/55/569049455.db2.gz OHHCZORQXMHSBB-DEOSSOPVSA-N 1 0 418.541 4.065 50 0 HIAARO COc1cccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 ZINC000064669604 569078825 /nfs/dbraw/zinc/07/88/25/569078825.db2.gz FDAMKRGSUBKNLP-GOSISDBHSA-N 1 0 405.542 4.276 50 0 HIAARO CCC[NH+]1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000064677217 569080719 /nfs/dbraw/zinc/08/07/19/569080719.db2.gz ZEXOVILQRQMSMJ-UHFFFAOYSA-N 1 0 408.571 4.141 50 0 HIAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@@H](c1ccccc1Cl)c1ccc(O)cc1O2 ZINC000006660479 569083407 /nfs/dbraw/zinc/08/34/07/569083407.db2.gz BTNNFGTZMRUYBQ-FQEVSTJZSA-N 1 0 424.932 4.349 50 0 HIAARO CC(C)CC(=O)N(CC[NH+](C)C)Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000006689963 569089287 /nfs/dbraw/zinc/08/92/87/569089287.db2.gz ZEMMOXACIVZCSE-UHFFFAOYSA-N 1 0 411.377 4.175 50 0 HIAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095824 569090055 /nfs/dbraw/zinc/09/00/55/569090055.db2.gz INDFLJYLRAFLOD-LPHOPBHVSA-N 1 0 407.938 4.398 50 0 HIAARO CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C ZINC000006712894 569096902 /nfs/dbraw/zinc/09/69/02/569096902.db2.gz VHNVYNGUITTYCH-UHFFFAOYSA-N 1 0 418.626 4.064 50 0 HIAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145961 569098543 /nfs/dbraw/zinc/09/85/43/569098543.db2.gz YCOIQORDEYDQNG-VXKWHMMOSA-N 1 0 416.949 4.121 50 0 HIAARO CC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146341 569098659 /nfs/dbraw/zinc/09/86/59/569098659.db2.gz KHJGYKRMQBHRFS-CTNGQTDRSA-N 1 0 402.922 4.115 50 0 HIAARO COc1cccc(C[N@H+](C[C@H](O)c2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146483 569098764 /nfs/dbraw/zinc/09/87/64/569098764.db2.gz PEQQXODKAOKJSP-RSXGOPAZSA-N 1 0 416.521 4.424 50 0 HIAARO C[C@H](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000064847190 569108320 /nfs/dbraw/zinc/10/83/20/569108320.db2.gz BHKCMCPCQSTDGE-HXUWFJFHSA-N 1 0 414.594 4.091 50 0 HIAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CCC(C)C)C[C@@H](O)COC ZINC000036248936 569117944 /nfs/dbraw/zinc/11/79/44/569117944.db2.gz RIEURNYUTOLULU-HXUWFJFHSA-N 1 0 403.567 4.043 50 0 HIAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC ZINC000036308292 569130329 /nfs/dbraw/zinc/13/03/29/569130329.db2.gz TYFDUQLVGOJDIU-OAQYLSRUSA-N 1 0 423.557 4.489 50 0 HIAARO CC(C)[C@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000006809484 569133476 /nfs/dbraw/zinc/13/34/76/569133476.db2.gz QOROKKITURMUGQ-VXKWHMMOSA-N 1 0 420.391 4.439 50 0 HIAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955879 569133738 /nfs/dbraw/zinc/13/37/38/569133738.db2.gz INABUYUETPFNBZ-UHFFFAOYSA-N 1 0 408.521 4.220 50 0 HIAARO O=C(COc1ccc(Cl)cc1)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006821006 569140473 /nfs/dbraw/zinc/14/04/73/569140473.db2.gz XPJFNSSCNNFGKS-UHFFFAOYSA-N 1 0 400.950 4.180 50 0 HIAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821484 569140518 /nfs/dbraw/zinc/14/05/18/569140518.db2.gz WSCQJELSEOAECD-RBUKOAKNSA-N 1 0 414.619 4.120 50 0 HIAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000036343337 569142886 /nfs/dbraw/zinc/14/28/86/569142886.db2.gz VHHOTAFBXIDPJK-JPYJTQIMSA-N 1 0 421.541 4.256 50 0 HIAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000064989637 569146122 /nfs/dbraw/zinc/14/61/22/569146122.db2.gz IMPRLOMDKNOQQH-UHFFFAOYSA-N 1 0 421.589 4.494 50 0 HIAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+](C)C)cc1 ZINC000006870514 569160418 /nfs/dbraw/zinc/16/04/18/569160418.db2.gz VCCATZZHZGZXSG-UHFFFAOYSA-N 1 0 401.514 4.460 50 0 HIAARO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000006871137 569161985 /nfs/dbraw/zinc/16/19/85/569161985.db2.gz MNSBERTVXDNUAV-DNQXCXABSA-N 1 0 410.558 4.386 50 0 HIAARO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)o1 ZINC000006895396 569175275 /nfs/dbraw/zinc/17/52/75/569175275.db2.gz CIMYGFZMZNVGLL-SSEXGKCCSA-N 1 0 424.566 4.148 50 0 HIAARO CCC[NH+](CCC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895573 569175332 /nfs/dbraw/zinc/17/53/32/569175332.db2.gz MHFWFFMAQUEAOP-HHHXNRCGSA-N 1 0 410.967 4.093 50 0 HIAARO CSc1ncc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000006938219 569185324 /nfs/dbraw/zinc/18/53/24/569185324.db2.gz GRQWAUPTGQLTLD-UHFFFAOYSA-N 1 0 418.566 4.044 50 0 HIAARO CCCn1c(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)nc2cccnc21 ZINC000065172873 569189955 /nfs/dbraw/zinc/18/99/55/569189955.db2.gz XGZZCVWYKHOHCH-SFHVURJKSA-N 1 0 405.546 4.113 50 0 HIAARO Clc1cc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCCC3)no2)ccn1 ZINC000065255064 569207656 /nfs/dbraw/zinc/20/76/56/569207656.db2.gz FDKKYNOXIKSSEO-UHFFFAOYSA-N 1 0 408.893 4.288 50 0 HIAARO O=C(Nc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000007245911 569229889 /nfs/dbraw/zinc/22/98/89/569229889.db2.gz ZZKAIFBWFNDNNT-UHFFFAOYSA-N 1 0 403.482 4.058 50 0 HIAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(Cl)c1OC ZINC000007448437 569239400 /nfs/dbraw/zinc/23/94/00/569239400.db2.gz RIAVFHKXTSVTIP-UHFFFAOYSA-N 1 0 402.922 4.273 50 0 HIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000170603898 569244195 /nfs/dbraw/zinc/24/41/95/569244195.db2.gz BENHWOBTJVPKJC-UHFFFAOYSA-N 1 0 412.843 4.066 50 0 HIAARO Cc1nn(C(F)F)c(C)c1CC(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000170609306 569245104 /nfs/dbraw/zinc/24/51/04/569245104.db2.gz DHMLLPLZMLGYKB-QVKFZJNVSA-N 1 0 409.452 4.156 50 0 HIAARO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c(=O)n1Cc1cccnc1 ZINC000016993798 569270905 /nfs/dbraw/zinc/27/09/05/569270905.db2.gz NJOFFIICULMQFP-QHCPKHFHSA-N 1 0 407.489 4.020 50 0 HIAARO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000016993811 569270909 /nfs/dbraw/zinc/27/09/09/569270909.db2.gz FVHSSMRGFYTAMG-DEOSSOPVSA-N 1 0 403.526 4.127 50 0 HIAARO CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1cccnc1 ZINC000252552553 569294322 /nfs/dbraw/zinc/29/43/22/569294322.db2.gz UWGHQFZQZXVTHR-HBMCJLEFSA-N 1 0 419.491 4.248 50 0 HIAARO COc1cccc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253388931 569364983 /nfs/dbraw/zinc/36/49/83/569364983.db2.gz WPIGZZKBOSUYGD-REWPJTCUSA-N 1 0 400.588 4.477 50 0 HIAARO C[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002318615 569374292 /nfs/dbraw/zinc/37/42/92/569374292.db2.gz BVAMEPRVGYJSFP-IBGZPJMESA-N 1 0 401.554 4.396 50 0 HIAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000002420011 569397683 /nfs/dbraw/zinc/39/76/83/569397683.db2.gz ZHSXRFPRBWIRBY-NRFANRHFSA-N 1 0 408.473 4.209 50 0 HIAARO Cc1cncc(CCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000328592633 569415455 /nfs/dbraw/zinc/41/54/55/569415455.db2.gz QLHDOEBIWJSDLR-UHFFFAOYSA-N 1 0 405.464 4.076 50 0 HIAARO C[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(Br)c1 ZINC000040104065 571164760 /nfs/dbraw/zinc/16/47/60/571164760.db2.gz FMQMXSBEANTDAC-HNNXBMFYSA-N 1 0 417.351 4.084 50 0 HIAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C1 ZINC000040107133 571167503 /nfs/dbraw/zinc/16/75/03/571167503.db2.gz RTTVBCDUHXWPSZ-QGZVFWFLSA-N 1 0 409.555 4.494 50 0 HIAARO Cn1nc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c2c1-c1ccsc1CC2 ZINC000009687673 571280094 /nfs/dbraw/zinc/28/00/94/571280094.db2.gz GCLJAJVXFULTBR-UHFFFAOYSA-N 1 0 406.555 4.485 50 0 HIAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(CCC[NH+](C)C)C3=O ZINC000010233135 571297587 /nfs/dbraw/zinc/29/75/87/571297587.db2.gz DCOOAGWBCIBRKU-NRFANRHFSA-N 1 0 408.473 4.046 50 0 HIAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1csc2c1CCCCC2 ZINC000020379949 571314688 /nfs/dbraw/zinc/31/46/88/571314688.db2.gz CONJGXIXYINRMK-UHFFFAOYSA-N 1 0 403.636 4.087 50 0 HIAARO