smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C)cc1C[NH+]1CCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC000013000820 132341575 /nfs/dbraw/zinc/34/15/75/132341575.db2.gz JHGYVDUDGGNIGS-UHFFFAOYSA-N 2 2 437.592 2.711 50 0 IFAALP CCc1[nH]c(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c(C)[nH+]1 ZINC000012447548 522201215 /nfs/dbraw/zinc/20/12/15/522201215.db2.gz MDOLDRKTSOXHQP-UHFFFAOYSA-N 2 2 430.549 2.709 50 0 IFAALP CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000014541817 523611183 /nfs/dbraw/zinc/61/11/83/523611183.db2.gz IHJKRQPHHSGNNT-GOSISDBHSA-N 2 2 449.521 2.957 50 0 IFAALP COc1ccc(C[NH2+]Cc2cccc(Cl)c2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020905451 524073239 /nfs/dbraw/zinc/07/32/39/524073239.db2.gz LZIXFHAYWRIEMM-NRFANRHFSA-N 2 2 433.980 2.626 50 0 IFAALP COc1ccc(C[NH2+]Cc2cccc(Cl)c2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020905451 524073240 /nfs/dbraw/zinc/07/32/40/524073240.db2.gz LZIXFHAYWRIEMM-NRFANRHFSA-N 2 2 433.980 2.626 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020784601 524073381 /nfs/dbraw/zinc/07/33/81/524073381.db2.gz CVEHAZQXIWWTAE-HXUWFJFHSA-N 2 2 433.980 2.626 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020784601 524073383 /nfs/dbraw/zinc/07/33/83/524073383.db2.gz CVEHAZQXIWWTAE-HXUWFJFHSA-N 2 2 433.980 2.626 50 0 IFAALP Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000022735895 525051550 /nfs/dbraw/zinc/05/15/50/525051550.db2.gz VUXGATRKKRUYMP-UHFFFAOYSA-N 2 2 434.584 2.990 50 0 IFAALP Cc1nc(CN2CC[NH+](Cc3ccccc3OC[C@H](O)C[NH+]3CCCCC3)CC2)cs1 ZINC000020995352 526867042 /nfs/dbraw/zinc/86/70/42/526867042.db2.gz FTAINSZJEXFFJS-HSZRJFAPSA-N 2 2 444.645 2.995 50 0 IFAALP O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015065314 556492488 /nfs/dbraw/zinc/49/24/88/556492488.db2.gz BFPLKNJTOWWPIX-JOCHJYFZSA-N 2 2 426.605 2.682 50 0 IFAALP O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015065314 556492490 /nfs/dbraw/zinc/49/24/90/556492490.db2.gz BFPLKNJTOWWPIX-JOCHJYFZSA-N 2 2 426.605 2.682 50 0 IFAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000022241766 556578185 /nfs/dbraw/zinc/57/81/85/556578185.db2.gz KKAGNTNKTSIJHM-UHFFFAOYSA-N 2 2 437.584 2.926 50 0 IFAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C ZINC000078823041 556736461 /nfs/dbraw/zinc/73/64/61/556736461.db2.gz WMRKITDPKYBVPR-LJQANCHMSA-N 2 2 433.512 2.965 50 0 IFAALP COCC[NH+]1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000055271974 556739324 /nfs/dbraw/zinc/73/93/24/556739324.db2.gz FFJBOMWXZWTTFI-UHFFFAOYSA-N 2 2 438.572 2.529 50 0 IFAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc[nH+]3)CC2)cc1Cl ZINC000072115814 556897839 /nfs/dbraw/zinc/89/78/39/556897839.db2.gz BSUWABGUXJDFPG-UHFFFAOYSA-N 2 2 429.956 2.544 50 0 IFAALP CSc1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000023368765 557088316 /nfs/dbraw/zinc/08/83/16/557088316.db2.gz QQSOMGKOUKOWPN-IBGZPJMESA-N 2 2 440.617 2.935 50 0 IFAALP CSc1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000023368765 557088319 /nfs/dbraw/zinc/08/83/19/557088319.db2.gz QQSOMGKOUKOWPN-IBGZPJMESA-N 2 2 440.617 2.935 50 0 IFAALP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375078 557088931 /nfs/dbraw/zinc/08/89/31/557088931.db2.gz KYGROXJYROIEMT-LJQANCHMSA-N 2 2 443.617 2.720 50 0 IFAALP CN(C)c1ncc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375078 557088935 /nfs/dbraw/zinc/08/89/35/557088935.db2.gz KYGROXJYROIEMT-LJQANCHMSA-N 2 2 443.617 2.720 50 0 IFAALP Cc1[nH+]ccn1CC(=O)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NCc1ccccc1 ZINC000065265859 569127262 /nfs/dbraw/zinc/12/72/62/569127262.db2.gz DFTYMPXUFXMYLE-RUZDIDTESA-N 2 2 428.540 2.786 50 0 IFAALP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977318 569169355 /nfs/dbraw/zinc/16/93/55/569169355.db2.gz WJGCXLAAYCGWTC-INIZCTEOSA-N 2 2 437.491 2.558 50 0 IFAALP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977318 569169356 /nfs/dbraw/zinc/16/93/56/569169356.db2.gz WJGCXLAAYCGWTC-INIZCTEOSA-N 2 2 437.491 2.558 50 0 IFAALP CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CC1 ZINC000013117018 569310844 /nfs/dbraw/zinc/31/08/44/569310844.db2.gz OAQIWPOYBMHGPI-LJQANCHMSA-N 2 2 442.633 2.898 50 0 IFAALP CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000095468472 569371377 /nfs/dbraw/zinc/37/13/77/569371377.db2.gz DHGXPHCQMGSYCR-UHFFFAOYSA-N 2 2 437.606 2.996 50 0 IFAALP C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000040158907 569494582 /nfs/dbraw/zinc/49/45/82/569494582.db2.gz FLPVRVSNOXDJGG-UHFFFAOYSA-N 2 2 436.604 2.825 50 0 IFAALP CC(=O)Nc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000012219047 519703778 /nfs/dbraw/zinc/70/37/78/519703778.db2.gz VREJSRJTGVXURC-QGZVFWFLSA-N 2 2 426.536 2.893 50 0 IFAALP COCc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920865 522972469 /nfs/dbraw/zinc/97/24/69/522972469.db2.gz ZZJXUSLUSHXXLZ-FQEVSTJZSA-N 2 2 427.545 2.937 50 0 IFAALP COCc1ccc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920865 522972475 /nfs/dbraw/zinc/97/24/75/522972475.db2.gz ZZJXUSLUSHXXLZ-FQEVSTJZSA-N 2 2 427.545 2.937 50 0 IFAALP COc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012588410 523689360 /nfs/dbraw/zinc/68/93/60/523689360.db2.gz HXMLKLNKBDTMQQ-UHFFFAOYSA-N 2 2 433.593 2.787 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012588140 524007715 /nfs/dbraw/zinc/00/77/15/524007715.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012588140 524007716 /nfs/dbraw/zinc/00/77/16/524007716.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nnc(C)o2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012588140 524007718 /nfs/dbraw/zinc/00/77/18/524007718.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nnc(C)o2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012588140 524007721 /nfs/dbraw/zinc/00/77/21/524007721.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP Cc1ccc(OCC[N@@H+](C)Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)cc1 ZINC000020540386 525419023 /nfs/dbraw/zinc/41/90/23/525419023.db2.gz FNNLLWMSOWKQTD-UHFFFAOYSA-N 2 2 441.601 2.993 50 0 IFAALP Cc1ccc(OCC[N@H+](C)Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)cc1 ZINC000020540386 525419027 /nfs/dbraw/zinc/41/90/27/525419027.db2.gz FNNLLWMSOWKQTD-UHFFFAOYSA-N 2 2 441.601 2.993 50 0 IFAALP Cc1ccc(OCC[NH+](C)Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)cc1 ZINC000020540386 525419036 /nfs/dbraw/zinc/41/90/36/525419036.db2.gz FNNLLWMSOWKQTD-UHFFFAOYSA-N 2 2 441.601 2.993 50 0 IFAALP Cc1ccc(OCC[NH+](C)Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)cc1 ZINC000020540386 525419042 /nfs/dbraw/zinc/41/90/42/525419042.db2.gz FNNLLWMSOWKQTD-UHFFFAOYSA-N 2 2 441.601 2.993 50 0 IFAALP O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000012433179 526340054 /nfs/dbraw/zinc/34/00/54/526340054.db2.gz VZDFCJZUDDRTDF-QGZVFWFLSA-N 2 2 429.565 2.589 50 0 IFAALP O=C(NC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447915 526595028 /nfs/dbraw/zinc/59/50/28/526595028.db2.gz JOBFKXSJSIURPS-LJQANCHMSA-N 2 2 436.556 2.917 50 0 IFAALP O=C(NC[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447915 526595033 /nfs/dbraw/zinc/59/50/33/526595033.db2.gz JOBFKXSJSIURPS-LJQANCHMSA-N 2 2 436.556 2.917 50 0 IFAALP O=C(c1ccc(N2CCC([NH2+]CCc3cn4ccccc4[nH+]3)CC2)cc1)N1CCOCC1 ZINC000012151128 526698093 /nfs/dbraw/zinc/69/80/93/526698093.db2.gz IEERBQURCNXGDF-UHFFFAOYSA-N 2 2 433.556 2.608 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000021795686 526967114 /nfs/dbraw/zinc/96/71/14/526967114.db2.gz AHSBEZJVPLAYFZ-UHFFFAOYSA-N 2 2 429.956 2.544 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000021795690 526967779 /nfs/dbraw/zinc/96/77/79/526967779.db2.gz WYWBVMBKZKQMIS-UHFFFAOYSA-N 2 2 429.956 2.544 50 0 IFAALP O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000020450887 527100859 /nfs/dbraw/zinc/10/08/59/527100859.db2.gz MGSRIGOSJQOCCF-XMMPIXPASA-N 2 2 434.584 2.617 50 0 IFAALP O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000020450887 527100866 /nfs/dbraw/zinc/10/08/66/527100866.db2.gz MGSRIGOSJQOCCF-XMMPIXPASA-N 2 2 434.584 2.617 50 0 IFAALP O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000012705549 527151572 /nfs/dbraw/zinc/15/15/72/527151572.db2.gz LOIHMLWXMWLAST-VWLOTQADSA-N 2 2 446.595 2.598 50 0 IFAALP O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000012705549 527151583 /nfs/dbraw/zinc/15/15/83/527151583.db2.gz LOIHMLWXMWLAST-VWLOTQADSA-N 2 2 446.595 2.598 50 0 IFAALP COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000014966056 556465843 /nfs/dbraw/zinc/46/58/43/556465843.db2.gz VCWNFTDKGCMVMI-OAQYLSRUSA-N 2 2 434.964 2.753 50 0 IFAALP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015518158 556532603 /nfs/dbraw/zinc/53/26/03/556532603.db2.gz CBDGGJNBUHNWGZ-LJQANCHMSA-N 2 2 434.544 2.731 50 0 IFAALP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015518158 556532609 /nfs/dbraw/zinc/53/26/09/556532609.db2.gz CBDGGJNBUHNWGZ-LJQANCHMSA-N 2 2 434.544 2.731 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCc3cccc(F)c3)cc2OC)CC1 ZINC000019770973 556913095 /nfs/dbraw/zinc/91/30/95/556913095.db2.gz SYHOMYXMXPXXEA-QHCPKHFHSA-N 2 2 445.579 2.544 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2OC)CC1 ZINC000020206162 556998289 /nfs/dbraw/zinc/99/82/89/556998289.db2.gz XVADZTKMSXNUGA-QFIPXVFZSA-N 2 2 431.552 2.501 50 0 IFAALP C[N@@H+]1CCc2c(sc3nc(SCC[NH+]4CCOCC4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020391931 557012796 /nfs/dbraw/zinc/01/27/96/557012796.db2.gz OJZQPIZLTHJOGW-UHFFFAOYSA-N 2 2 442.610 2.859 50 0 IFAALP C[N@H+]1CCc2c(sc3nc(SCC[NH+]4CCOCC4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020391931 557012798 /nfs/dbraw/zinc/01/27/98/557012798.db2.gz OJZQPIZLTHJOGW-UHFFFAOYSA-N 2 2 442.610 2.859 50 0 IFAALP CSc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000023368769 557088442 /nfs/dbraw/zinc/08/84/42/557088442.db2.gz QQSOMGKOUKOWPN-LJQANCHMSA-N 2 2 440.617 2.935 50 0 IFAALP CSc1ncc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000023368769 557088444 /nfs/dbraw/zinc/08/84/44/557088444.db2.gz QQSOMGKOUKOWPN-LJQANCHMSA-N 2 2 440.617 2.935 50 0 IFAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000024023227 557391533 /nfs/dbraw/zinc/39/15/33/557391533.db2.gz QMJNHJMISFCPKC-UHFFFAOYSA-N 2 2 448.493 2.518 50 0 IFAALP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c1Cc1ccccc1F ZINC000036340816 569078466 /nfs/dbraw/zinc/07/84/66/569078466.db2.gz GFUNNZZOJIDYDC-FQEVSTJZSA-N 2 2 430.568 2.985 50 0 IFAALP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c1Cc1ccccc1F ZINC000036340817 569078569 /nfs/dbraw/zinc/07/85/69/569078569.db2.gz GFUNNZZOJIDYDC-HXUWFJFHSA-N 2 2 430.568 2.985 50 0 IFAALP CC[N@H+](CCC1CC[NH+](Cc2nnc3n2c2ccsc2c(=O)n3C)CC1)CC1CC1 ZINC000095458280 569369204 /nfs/dbraw/zinc/36/92/04/569369204.db2.gz JHMBYNGPXDUQDC-UHFFFAOYSA-N 2 2 428.606 2.977 50 0 IFAALP CC[N@@H+](CCC1CC[NH+](Cc2nnc3n2c2ccsc2c(=O)n3C)CC1)CC1CC1 ZINC000095458280 569369206 /nfs/dbraw/zinc/36/92/06/569369206.db2.gz JHMBYNGPXDUQDC-UHFFFAOYSA-N 2 2 428.606 2.977 50 0 IFAALP CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020599138 521371008 /nfs/dbraw/zinc/37/10/08/521371008.db2.gz OHJSXZSTPVUEED-HSZRJFAPSA-N 2 2 427.589 2.704 50 0 IFAALP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020599138 521371019 /nfs/dbraw/zinc/37/10/19/521371019.db2.gz OHJSXZSTPVUEED-HSZRJFAPSA-N 2 2 427.589 2.704 50 0 IFAALP CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012466995 521483687 /nfs/dbraw/zinc/48/36/87/521483687.db2.gz IGIAOOGFSIDIQN-HXUWFJFHSA-N 2 2 444.620 2.543 50 0 IFAALP CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012466995 521483692 /nfs/dbraw/zinc/48/36/92/521483692.db2.gz IGIAOOGFSIDIQN-HXUWFJFHSA-N 2 2 444.620 2.543 50 0 IFAALP COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCNc1cc(-n2cc[nH+]c2C)nc[nH+]1 ZINC000035598109 523786681 /nfs/dbraw/zinc/78/66/81/523786681.db2.gz WKTRSNOWSRTWJO-UHFFFAOYSA-N 2 2 444.561 2.667 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012587452 524008616 /nfs/dbraw/zinc/00/86/16/524008616.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 2 2 436.556 2.989 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012587452 524008619 /nfs/dbraw/zinc/00/86/19/524008619.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 2 2 436.556 2.989 50 0 IFAALP COc1ccc(C[NH+](C)Cc2cnccn2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012587452 524008622 /nfs/dbraw/zinc/00/86/22/524008622.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 2 2 436.556 2.989 50 0 IFAALP COc1ccc(C[NH+](C)Cc2cnccn2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012587452 524008624 /nfs/dbraw/zinc/00/86/24/524008624.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 2 2 436.556 2.989 50 0 IFAALP c1cc2c(c(C[N@H+]3CCC[C@H](N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601144 526438111 /nfs/dbraw/zinc/43/81/11/526438111.db2.gz AAPAEUQGIOSHDO-NRFANRHFSA-N 2 2 437.540 2.926 50 0 IFAALP c1cc2c(c(C[N@@H+]3CCC[C@H](N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601144 526438114 /nfs/dbraw/zinc/43/81/14/526438114.db2.gz AAPAEUQGIOSHDO-NRFANRHFSA-N 2 2 437.540 2.926 50 0 IFAALP CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1)C(=O)OC ZINC000014994497 556476905 /nfs/dbraw/zinc/47/69/05/556476905.db2.gz GAQVPNZQWIHBIW-CVDCTZTESA-N 2 2 444.620 2.610 50 0 IFAALP COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000015075038 556498776 /nfs/dbraw/zinc/49/87/76/556498776.db2.gz MILHGCYBTUIFDQ-XMMPIXPASA-N 2 2 448.611 2.867 50 0 IFAALP COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000015075038 556498779 /nfs/dbraw/zinc/49/87/79/556498779.db2.gz MILHGCYBTUIFDQ-XMMPIXPASA-N 2 2 448.611 2.867 50 0 IFAALP CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000013372236 556503741 /nfs/dbraw/zinc/50/37/41/556503741.db2.gz PJSMLXNHQZCQEP-JOCHJYFZSA-N 2 2 435.524 2.749 50 0 IFAALP C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000016699263 556629250 /nfs/dbraw/zinc/62/92/50/556629250.db2.gz GLXQWIMSGBEWFJ-UHFFFAOYSA-N 2 2 431.964 2.799 50 0 IFAALP C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000016699263 556629251 /nfs/dbraw/zinc/62/92/51/556629251.db2.gz GLXQWIMSGBEWFJ-UHFFFAOYSA-N 2 2 431.964 2.799 50 0 IFAALP Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCC[NH+]1CCC([NH+]3CCCCC3)CC1)O2 ZINC000005069933 556630265 /nfs/dbraw/zinc/63/02/65/556630265.db2.gz CNRHAMDPZGOKAG-QFIPXVFZSA-N 2 2 428.577 2.541 50 0 IFAALP Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048243 556744121 /nfs/dbraw/zinc/74/41/21/556744121.db2.gz XIWWTUCMHFRUDU-UHFFFAOYSA-N 2 2 442.633 2.842 50 0 IFAALP C[N@H+](C[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058393240 556785053 /nfs/dbraw/zinc/78/50/53/556785053.db2.gz KFIQZDNQCPWLPC-QHCPKHFHSA-N 2 2 436.604 2.577 50 0 IFAALP C[N@@H+](C[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058393240 556785055 /nfs/dbraw/zinc/78/50/55/556785055.db2.gz KFIQZDNQCPWLPC-QHCPKHFHSA-N 2 2 436.604 2.577 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(F)c3)cc2OC)CC1 ZINC000019741579 556884150 /nfs/dbraw/zinc/88/41/50/556884150.db2.gz UNEMSWZRUHIWCH-QFIPXVFZSA-N 2 2 431.552 2.501 50 0 IFAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)[nH+]cn2)CC1 ZINC000072119250 556898430 /nfs/dbraw/zinc/89/84/30/556898430.db2.gz YFPMDNISJKMKDD-UHFFFAOYSA-N 2 2 449.481 2.601 50 0 IFAALP Cc1[nH+]cn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)[nH+]c(C)n2)c1C ZINC000072446837 556973488 /nfs/dbraw/zinc/97/34/88/556973488.db2.gz QPCMRMCTXOQTCF-UHFFFAOYSA-N 2 2 446.964 2.752 50 0 IFAALP COc1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000022926126 557048670 /nfs/dbraw/zinc/04/86/70/557048670.db2.gz QPTPJITTXSHPBV-IBGZPJMESA-N 2 2 426.001 2.796 50 0 IFAALP COc1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000022926126 557048672 /nfs/dbraw/zinc/04/86/72/557048672.db2.gz QPTPJITTXSHPBV-IBGZPJMESA-N 2 2 426.001 2.796 50 0 IFAALP COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000023731890 557111611 /nfs/dbraw/zinc/11/16/11/557111611.db2.gz UBHKAWXCKFIDPA-FQEVSTJZSA-N 2 2 425.573 2.911 50 0 IFAALP COc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000023731890 557111613 /nfs/dbraw/zinc/11/16/13/557111613.db2.gz UBHKAWXCKFIDPA-FQEVSTJZSA-N 2 2 425.573 2.911 50 0 IFAALP CC(=O)N(CCCn1cc[nH+]c1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CC[NH+](C)CC1 ZINC000033592252 557415849 /nfs/dbraw/zinc/41/58/49/557415849.db2.gz DDQREQHSDDJVIU-UHFFFAOYSA-N 2 2 436.560 2.717 50 0 IFAALP CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036311005 568996810 /nfs/dbraw/zinc/99/68/10/568996810.db2.gz VUVHDOWSAMSQCW-QFIPXVFZSA-N 2 2 429.609 2.853 50 0 IFAALP C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000170591186 569140832 /nfs/dbraw/zinc/14/08/32/569140832.db2.gz JDNYXYVHOPMXQD-IBGZPJMESA-N 2 2 440.563 2.901 50 0 IFAALP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000055073868 569286106 /nfs/dbraw/zinc/28/61/06/569286106.db2.gz IEHREFGSWHCIKG-HSZRJFAPSA-N 3 2 429.605 2.950 50 0 IFAALP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000055073868 569286107 /nfs/dbraw/zinc/28/61/07/569286107.db2.gz IEHREFGSWHCIKG-HSZRJFAPSA-N 3 2 429.605 2.950 50 0 IFAALP COc1ccc(C[NH+](C)CCC[NH+](C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055073868 569286109 /nfs/dbraw/zinc/28/61/09/569286109.db2.gz IEHREFGSWHCIKG-HSZRJFAPSA-N 3 2 429.605 2.950 50 0 IFAALP COc1ccc(C[NH+](C)CCC[NH+](C)C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055073868 569286111 /nfs/dbraw/zinc/28/61/11/569286111.db2.gz IEHREFGSWHCIKG-HSZRJFAPSA-N 3 2 429.605 2.950 50 0 IFAALP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000105000605 569587059 /nfs/dbraw/zinc/58/70/59/569587059.db2.gz XBALYMARXGXHFW-REWPJTCUSA-N 2 2 432.653 2.870 50 0 IFAALP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000105000605 569587060 /nfs/dbraw/zinc/58/70/60/569587060.db2.gz XBALYMARXGXHFW-REWPJTCUSA-N 2 2 432.653 2.870 50 0 IFAALP Cc1[nH+]c(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)nc(N2CCOCC2)c1C ZINC000006869058 132279810 /nfs/dbraw/zinc/27/98/10/132279810.db2.gz RCMKLMNUXXBXEQ-UHFFFAOYSA-N 2 2 429.590 2.514 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3C)cc2OC)CC1 ZINC000020601192 521685188 /nfs/dbraw/zinc/68/51/88/521685188.db2.gz CJXIMHLMYRFRQZ-XMMPIXPASA-N 2 2 441.616 2.713 50 0 IFAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000012445114 522583206 /nfs/dbraw/zinc/58/32/06/522583206.db2.gz DGWRUXIZIAMRQD-FQEVSTJZSA-N 2 2 425.577 2.657 50 0 IFAALP CCn1ccnc1C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012302893 523530265 /nfs/dbraw/zinc/53/02/65/523530265.db2.gz YDZBOQOBRHMZRF-UHFFFAOYSA-N 2 2 433.984 2.891 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020538634 524005894 /nfs/dbraw/zinc/00/58/94/524005894.db2.gz YUGZWHVTHTXEAS-NRFANRHFSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020538634 524005899 /nfs/dbraw/zinc/00/58/99/524005899.db2.gz YUGZWHVTHTXEAS-NRFANRHFSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020538634 524005905 /nfs/dbraw/zinc/00/59/05/524005905.db2.gz YUGZWHVTHTXEAS-NRFANRHFSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020538634 524005911 /nfs/dbraw/zinc/00/59/11/524005911.db2.gz YUGZWHVTHTXEAS-NRFANRHFSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccccc2Cl)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020600296 524006228 /nfs/dbraw/zinc/00/62/28/524006228.db2.gz SJBCXGHCQUJWAP-OAQYLSRUSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020600296 524006233 /nfs/dbraw/zinc/00/62/33/524006233.db2.gz SJBCXGHCQUJWAP-OAQYLSRUSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2cnccn2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012587446 524008479 /nfs/dbraw/zinc/00/84/79/524008479.db2.gz WIFSHSXAWKNMPS-QHCPKHFHSA-N 2 2 436.556 2.989 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012587446 524008483 /nfs/dbraw/zinc/00/84/83/524008483.db2.gz WIFSHSXAWKNMPS-QHCPKHFHSA-N 2 2 436.556 2.989 50 0 IFAALP COc1ccc(C[NH+](C)Cc2cnccn2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012587446 524008484 /nfs/dbraw/zinc/00/84/84/524008484.db2.gz WIFSHSXAWKNMPS-QHCPKHFHSA-N 2 2 436.556 2.989 50 0 IFAALP COc1ccc(C[NH+](C)Cc2cnccn2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012587446 524008485 /nfs/dbraw/zinc/00/84/85/524008485.db2.gz WIFSHSXAWKNMPS-QHCPKHFHSA-N 2 2 436.556 2.989 50 0 IFAALP O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000020450885 527151766 /nfs/dbraw/zinc/15/17/66/527151766.db2.gz MGSRIGOSJQOCCF-DEOSSOPVSA-N 2 2 434.584 2.617 50 0 IFAALP O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000020450885 527151775 /nfs/dbraw/zinc/15/17/75/527151775.db2.gz MGSRIGOSJQOCCF-DEOSSOPVSA-N 2 2 434.584 2.617 50 0 IFAALP Cc1[nH+]ccn1-c1cc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)[nH+]c(C)n1 ZINC000035598095 527368187 /nfs/dbraw/zinc/36/81/87/527368187.db2.gz LQGCNVGOCVSCPF-UHFFFAOYSA-N 2 2 448.552 2.921 50 0 IFAALP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000011789630 556354926 /nfs/dbraw/zinc/35/49/26/556354926.db2.gz YZPDRLOFUMKKKT-QUCCMNQESA-N 2 2 449.571 2.598 50 0 IFAALP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[N@H+](Cc2cc(F)ccc2F)C1 ZINC000011789630 556354923 /nfs/dbraw/zinc/35/49/23/556354923.db2.gz YZPDRLOFUMKKKT-QUCCMNQESA-N 2 2 449.571 2.598 50 0 IFAALP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)[NH+](Cc2cc(F)ccc2F)C1 ZINC000011789630 556354929 /nfs/dbraw/zinc/35/49/29/556354929.db2.gz YZPDRLOFUMKKKT-QUCCMNQESA-N 2 2 449.571 2.598 50 0 IFAALP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[NH+](Cc2cc(F)ccc2F)C1 ZINC000011789630 556354931 /nfs/dbraw/zinc/35/49/31/556354931.db2.gz YZPDRLOFUMKKKT-QUCCMNQESA-N 2 2 449.571 2.598 50 0 IFAALP COc1cc(C[NH2+]Cc2csc(C(C)C)n2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000011840437 556364830 /nfs/dbraw/zinc/36/48/30/556364830.db2.gz DTAQBCWFHQZFJZ-FQEVSTJZSA-N 2 2 449.617 2.761 50 0 IFAALP CC(C)Oc1ccc(CC[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCOCC3)c2)cc1 ZINC000011874376 556370594 /nfs/dbraw/zinc/37/05/94/556370594.db2.gz MLFXWGHUAYLBSJ-QHCPKHFHSA-N 2 2 428.573 2.878 50 0 IFAALP O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000014885817 556455185 /nfs/dbraw/zinc/45/51/85/556455185.db2.gz JELJAYKGQPFGPI-UHFFFAOYSA-N 2 2 428.602 2.569 50 0 IFAALP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000058169384 556767743 /nfs/dbraw/zinc/76/77/43/556767743.db2.gz USOSQJSSFVDBQU-UHFFFAOYSA-N 2 2 443.979 2.989 50 0 IFAALP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000058169384 556767747 /nfs/dbraw/zinc/76/77/47/556767747.db2.gz USOSQJSSFVDBQU-UHFFFAOYSA-N 2 2 443.979 2.989 50 0 IFAALP COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)c1 ZINC000077134273 556996307 /nfs/dbraw/zinc/99/63/07/556996307.db2.gz MRAXOUDNQMQHPT-UHFFFAOYSA-N 2 2 436.516 2.567 50 0 IFAALP COc1ccc(CC[N@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000023731893 557111715 /nfs/dbraw/zinc/11/17/15/557111715.db2.gz UBHKAWXCKFIDPA-HXUWFJFHSA-N 2 2 425.573 2.911 50 0 IFAALP COc1ccc(CC[N@@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000023731893 557111718 /nfs/dbraw/zinc/11/17/18/557111718.db2.gz UBHKAWXCKFIDPA-HXUWFJFHSA-N 2 2 425.573 2.911 50 0 IFAALP O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000025754948 557224496 /nfs/dbraw/zinc/22/44/96/557224496.db2.gz ODTWTDNXTIEPQK-JOCHJYFZSA-N 2 2 447.023 2.928 50 0 IFAALP Cc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255100 568985007 /nfs/dbraw/zinc/98/50/07/568985007.db2.gz QROQNEUPWYNWEY-DEOSSOPVSA-N 2 2 440.632 2.914 50 0 IFAALP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340774 569078512 /nfs/dbraw/zinc/07/85/12/569078512.db2.gz QUTSCRFAYGHGKR-NRFANRHFSA-N 2 2 430.568 2.985 50 0 IFAALP Cc1nc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000036340172 569078763 /nfs/dbraw/zinc/07/87/63/569078763.db2.gz LVFPNXBYCSTZJV-QFIPXVFZSA-N 2 2 430.568 2.979 50 0 IFAALP CC1CCN(c2cc(-n3cnc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3)nc[nH+]2)CC1 ZINC000065239808 569120781 /nfs/dbraw/zinc/12/07/81/569120781.db2.gz WXRMUVOYZOOREU-UHFFFAOYSA-N 2 2 437.592 2.989 50 0 IFAALP O=C(c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065255881 569122971 /nfs/dbraw/zinc/12/29/71/569122971.db2.gz DXXJDMVNUQTFME-QFIPXVFZSA-N 2 2 428.540 2.590 50 0 IFAALP O=C(c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065255882 569122997 /nfs/dbraw/zinc/12/29/97/569122997.db2.gz DXXJDMVNUQTFME-JOCHJYFZSA-N 2 2 428.540 2.590 50 0 IFAALP CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000065295573 569131503 /nfs/dbraw/zinc/13/15/03/569131503.db2.gz YQHPKGIGVPDMHR-UHFFFAOYSA-N 2 2 447.587 2.843 50 0 IFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cc(OC)c(OC)c(OC)c2)C3)CC1 ZINC000021039689 519860848 /nfs/dbraw/zinc/86/08/48/519860848.db2.gz ABMNXXZXWBSJJG-UHFFFAOYSA-N 2 2 441.576 2.593 50 0 IFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C3)CC1 ZINC000021039689 519860850 /nfs/dbraw/zinc/86/08/50/519860850.db2.gz ABMNXXZXWBSJJG-UHFFFAOYSA-N 2 2 441.576 2.593 50 0 IFAALP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Br)c(O)c(OC)c3)CC2)CC1 ZINC000012630987 521662214 /nfs/dbraw/zinc/66/22/14/521662214.db2.gz YTBBNERVRYXRSP-UHFFFAOYSA-N 2 2 440.382 2.539 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccccc3F)cc2OC)CC1 ZINC000020452850 521684655 /nfs/dbraw/zinc/68/46/55/521684655.db2.gz SEJNYRYHFKKOGN-OAQYLSRUSA-N 2 2 431.552 2.501 50 0 IFAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012704576 522448582 /nfs/dbraw/zinc/44/85/82/522448582.db2.gz ZGPRANIPTWEGOJ-HSZRJFAPSA-N 3 2 449.636 2.511 50 0 IFAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012704576 522448590 /nfs/dbraw/zinc/44/85/90/522448590.db2.gz ZGPRANIPTWEGOJ-HSZRJFAPSA-N 3 2 449.636 2.511 50 0 IFAALP CN(Cc1[nH]cc[nH+]1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000020600307 523585917 /nfs/dbraw/zinc/58/59/17/523585917.db2.gz KVJKVPHQEYDQBQ-UHFFFAOYSA-N 2 2 435.576 2.780 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020538636 524005440 /nfs/dbraw/zinc/00/54/40/524005440.db2.gz YUGZWHVTHTXEAS-OAQYLSRUSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020538636 524005446 /nfs/dbraw/zinc/00/54/46/524005446.db2.gz YUGZWHVTHTXEAS-OAQYLSRUSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020538636 524005449 /nfs/dbraw/zinc/00/54/49/524005449.db2.gz YUGZWHVTHTXEAS-OAQYLSRUSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020538636 524005453 /nfs/dbraw/zinc/00/54/53/524005453.db2.gz YUGZWHVTHTXEAS-OAQYLSRUSA-N 2 2 448.007 2.968 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC[C@@H]4CCC[N@H+]4C)CC3)CC2)n1 ZINC000020905895 524387397 /nfs/dbraw/zinc/38/73/97/524387397.db2.gz NCEUUANALUCZTM-QHCPKHFHSA-N 3 2 427.637 2.667 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC[C@@H]4CCC[N@@H+]4C)CC3)CC2)n1 ZINC000020905895 524387403 /nfs/dbraw/zinc/38/74/03/524387403.db2.gz NCEUUANALUCZTM-QHCPKHFHSA-N 3 2 427.637 2.667 50 0 IFAALP O=C(CCC(=O)N1CCOc2ccccc21)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000020466313 526382312 /nfs/dbraw/zinc/38/23/12/526382312.db2.gz ZJRJSOMZJPHLHS-UHFFFAOYSA-N 2 2 442.604 2.649 50 0 IFAALP O=C(CC[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012094322 526568844 /nfs/dbraw/zinc/56/88/44/526568844.db2.gz WVZGCZOGPAQJRX-JOCHJYFZSA-N 2 2 441.620 2.625 50 0 IFAALP O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035895157 527140022 /nfs/dbraw/zinc/14/00/22/527140022.db2.gz CXEOPBGOOGVGNI-VXNXHJTFSA-N 2 2 446.595 2.710 50 0 IFAALP COc1ccc(NC(=O)COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2OC)cc1 ZINC000008682849 556199580 /nfs/dbraw/zinc/19/95/80/556199580.db2.gz KPULOOJNQVPQCZ-UHFFFAOYSA-N 2 2 443.544 2.533 50 0 IFAALP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733527 556437873 /nfs/dbraw/zinc/43/78/73/556437873.db2.gz BBNQKFREYRNHNM-SVFBPWRDSA-N 2 2 443.636 2.570 50 0 IFAALP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733527 556437876 /nfs/dbraw/zinc/43/78/76/556437876.db2.gz BBNQKFREYRNHNM-SVFBPWRDSA-N 2 2 443.636 2.570 50 0 IFAALP CCn1cc(CNC(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)cn1 ZINC000015070971 556495921 /nfs/dbraw/zinc/49/59/21/556495921.db2.gz HKWAXTIALVJLPW-UHFFFAOYSA-N 2 2 425.577 2.770 50 0 IFAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720560 556646571 /nfs/dbraw/zinc/64/65/71/556646571.db2.gz XUYURGPGMIYROM-UHFFFAOYSA-N 2 2 435.952 2.736 50 0 IFAALP COc1cc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc(OC)c1 ZINC000019221210 556715393 /nfs/dbraw/zinc/71/53/93/556715393.db2.gz BAKPTZCAFIXNEW-QFIPXVFZSA-N 2 2 445.604 2.675 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC4(O)CCCCC4)CC3)CC2)n1 ZINC000055270099 556739310 /nfs/dbraw/zinc/73/93/10/556739310.db2.gz YOKYYVDFUWQHTP-UHFFFAOYSA-N 2 2 428.621 2.878 50 0 IFAALP Cc1oc2cc3c(cc2c1C(=O)N1CC[NH+](C)CC1)oc(C)c3C(=O)N1CC[NH+](C)CC1 ZINC000057496784 556747822 /nfs/dbraw/zinc/74/78/22/556747822.db2.gz LMFJCYFYJSIDAR-UHFFFAOYSA-N 2 2 438.528 2.571 50 0 IFAALP C[N@@H+]1CCCN(c2ccc(NC(=O)NCc3cc[nH+]c(N4CCOCC4)c3)cc2F)CC1 ZINC000058100677 556757908 /nfs/dbraw/zinc/75/79/08/556757908.db2.gz KAVNMKGZAKLHAY-UHFFFAOYSA-N 2 2 442.539 2.521 50 0 IFAALP C[N@H+]1CCCN(c2ccc(NC(=O)NCc3cc[nH+]c(N4CCOCC4)c3)cc2F)CC1 ZINC000058100677 556757911 /nfs/dbraw/zinc/75/79/11/556757911.db2.gz KAVNMKGZAKLHAY-UHFFFAOYSA-N 2 2 442.539 2.521 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(F)c3)cc2OC)CC1 ZINC000019741577 556884163 /nfs/dbraw/zinc/88/41/63/556884163.db2.gz UNEMSWZRUHIWCH-JOCHJYFZSA-N 2 2 431.552 2.501 50 0 IFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)[nH+]c(C)n2)c1C ZINC000072446823 556973397 /nfs/dbraw/zinc/97/33/97/556973397.db2.gz GARVOOZKFJXJEW-UHFFFAOYSA-N 2 2 440.935 2.969 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000082230626 557061882 /nfs/dbraw/zinc/06/18/82/557061882.db2.gz MZTIABMELVXBQH-UHFFFAOYSA-N 2 2 430.556 2.652 50 0 IFAALP O=C(C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)NC1CCC2(CC1)OCCO2 ZINC000225480826 557727895 /nfs/dbraw/zinc/72/78/95/557727895.db2.gz WKYIRLDWSBIYDY-UHFFFAOYSA-N 2 2 432.952 2.841 50 0 IFAALP O=C(C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)NC1CCC2(CC1)OCCO2 ZINC000225480826 557727898 /nfs/dbraw/zinc/72/78/98/557727898.db2.gz WKYIRLDWSBIYDY-UHFFFAOYSA-N 2 2 432.952 2.841 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C[C@@H]4CCC[N@H+](C)C4)CC3)CC2)n1 ZINC000097436857 568619013 /nfs/dbraw/zinc/61/90/13/568619013.db2.gz NZOPIXMXYYFDNV-JOCHJYFZSA-N 3 2 441.664 2.867 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C[C@@H]4CCC[N@@H+](C)C4)CC3)CC2)n1 ZINC000097436857 568619016 /nfs/dbraw/zinc/61/90/16/568619016.db2.gz NZOPIXMXYYFDNV-JOCHJYFZSA-N 3 2 441.664 2.867 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C[C@H]4CCC[N@H+](C)C4)CC3)CC2)n1 ZINC000097436858 568619082 /nfs/dbraw/zinc/61/90/82/568619082.db2.gz NZOPIXMXYYFDNV-QFIPXVFZSA-N 3 2 441.664 2.867 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C[C@H]4CCC[N@@H+](C)C4)CC3)CC2)n1 ZINC000097436858 568619083 /nfs/dbraw/zinc/61/90/83/568619083.db2.gz NZOPIXMXYYFDNV-QFIPXVFZSA-N 3 2 441.664 2.867 50 0 IFAALP CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000015773669 568823160 /nfs/dbraw/zinc/82/31/60/568823160.db2.gz ZSGFJJXTNXRKRE-HSZRJFAPSA-N 2 2 426.605 2.811 50 0 IFAALP COc1ccc2c(c1)C[C@@H](NC(=O)NCCC[NH+]1CCC([NH+]3CCCCC3)CC1)CO2 ZINC000015820942 568839818 /nfs/dbraw/zinc/83/98/18/568839818.db2.gz CVWHRYDRKSWEHQ-HXUWFJFHSA-N 2 2 430.593 2.638 50 0 IFAALP Cc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255014 568984804 /nfs/dbraw/zinc/98/48/04/568984804.db2.gz GTQOFSWUCFPMLC-XMMPIXPASA-N 2 2 440.632 2.914 50 0 IFAALP Cc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255056 568984949 /nfs/dbraw/zinc/98/49/49/568984949.db2.gz UMHNSOVDYJUTIT-DEOSSOPVSA-N 2 2 440.632 2.914 50 0 IFAALP CC1CCN(c2cc(-n3cnc(C(=O)N4CC[NH+](C5CCCCC5)CC4)c3)nc[nH+]2)CC1 ZINC000065239816 569120681 /nfs/dbraw/zinc/12/06/81/569120681.db2.gz UORHGOBERPAQJQ-UHFFFAOYSA-N 2 2 437.592 2.989 50 0 IFAALP C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095982988 569377926 /nfs/dbraw/zinc/37/79/26/569377926.db2.gz NVHSHPVZCGDZSB-FQEVSTJZSA-N 3 2 445.677 2.910 50 0 IFAALP C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095982988 569377927 /nfs/dbraw/zinc/37/79/27/569377927.db2.gz NVHSHPVZCGDZSB-FQEVSTJZSA-N 3 2 445.677 2.910 50 0 IFAALP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000057530609 569439327 /nfs/dbraw/zinc/43/93/27/569439327.db2.gz YMIARIYMSZAXIZ-NMNUPHIUSA-N 2 2 431.540 2.611 50 0 IFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000012761844 520976854 /nfs/dbraw/zinc/97/68/54/520976854.db2.gz MQXZMAMUULHEDG-QFIPXVFZSA-N 3 2 427.637 2.953 50 0 IFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000012761844 520976866 /nfs/dbraw/zinc/97/68/66/520976866.db2.gz MQXZMAMUULHEDG-QFIPXVFZSA-N 2 2 427.637 2.953 50 0 IFAALP CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000015773671 521166099 /nfs/dbraw/zinc/16/60/99/521166099.db2.gz ZSGFJJXTNXRKRE-QHCPKHFHSA-N 2 2 426.605 2.811 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccccc3F)cc2OC)CC1 ZINC000020452852 521687375 /nfs/dbraw/zinc/68/73/75/521687375.db2.gz SEJNYRYHFKKOGN-NRFANRHFSA-N 2 2 431.552 2.501 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccccc2Cl)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020600295 524006945 /nfs/dbraw/zinc/00/69/45/524006945.db2.gz SJBCXGHCQUJWAP-NRFANRHFSA-N 2 2 448.007 2.968 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020600295 524006951 /nfs/dbraw/zinc/00/69/51/524006951.db2.gz SJBCXGHCQUJWAP-NRFANRHFSA-N 2 2 448.007 2.968 50 0 IFAALP O=C(NC[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447914 526513886 /nfs/dbraw/zinc/51/38/86/526513886.db2.gz JOBFKXSJSIURPS-IBGZPJMESA-N 2 2 436.556 2.917 50 0 IFAALP O=C(NC[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447914 526513893 /nfs/dbraw/zinc/51/38/93/526513893.db2.gz JOBFKXSJSIURPS-IBGZPJMESA-N 2 2 436.556 2.917 50 0 IFAALP CC[C@H](c1nnc(SCc2nc(-c3ccco3)no2)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000058157165 556762802 /nfs/dbraw/zinc/76/28/02/556762802.db2.gz NTSOKJOHJDDPOU-OAHLLOKOSA-N 2 2 447.565 2.558 50 0 IFAALP c1cc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739631 556878643 /nfs/dbraw/zinc/87/86/43/556878643.db2.gz MBPMZHIYLPYXSB-FQEVSTJZSA-N 2 2 435.528 2.734 50 0 IFAALP c1cc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739631 556878647 /nfs/dbraw/zinc/87/86/47/556878647.db2.gz MBPMZHIYLPYXSB-FQEVSTJZSA-N 2 2 435.528 2.734 50 0 IFAALP O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000025754951 557224445 /nfs/dbraw/zinc/22/44/45/557224445.db2.gz ODTWTDNXTIEPQK-QFIPXVFZSA-N 2 2 447.023 2.928 50 0 IFAALP O=C1CO[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299775428 568756794 /nfs/dbraw/zinc/75/67/94/568756794.db2.gz JIWMVWQDWWMPQS-SFHVURJKSA-N 2 2 426.483 2.862 50 0 IFAALP O=C(c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065256218 569123205 /nfs/dbraw/zinc/12/32/05/569123205.db2.gz QPAHSEJOMZLONM-JOCHJYFZSA-N 2 2 428.540 2.590 50 0 IFAALP C[C@H](CNc1nc(NC[C@H](C)[NH+]2CCOCC2)nc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000096011509 569379861 /nfs/dbraw/zinc/37/98/61/569379861.db2.gz QEOBSEGABWBLTI-SJORKVTESA-N 2 2 448.999 2.548 50 0 IFAALP O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058133397 569448347 /nfs/dbraw/zinc/44/83/47/569448347.db2.gz KVJOQRSIHOLMIZ-OAQYLSRUSA-N 2 2 432.996 2.584 50 0 IFAALP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036256826 569588022 /nfs/dbraw/zinc/58/80/22/569588022.db2.gz XBALYMARXGXHFW-NFBKMPQASA-N 2 2 432.653 2.870 50 0 IFAALP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036256826 569588023 /nfs/dbraw/zinc/58/80/23/569588023.db2.gz XBALYMARXGXHFW-NFBKMPQASA-N 2 2 432.653 2.870 50 0 IFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805165 521639628 /nfs/dbraw/zinc/63/96/28/521639628.db2.gz NOXHOOQXZOITKA-YKSBVNFPSA-N 2 2 438.572 2.563 50 0 IFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805165 521639629 /nfs/dbraw/zinc/63/96/29/521639629.db2.gz NOXHOOQXZOITKA-YKSBVNFPSA-N 2 2 438.572 2.563 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2OC)CC1 ZINC000022918898 521684534 /nfs/dbraw/zinc/68/45/34/521684534.db2.gz BFKRXPCNAJIDOG-HXUWFJFHSA-N 2 2 449.542 2.640 50 0 IFAALP C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CC[NH+](C)CC3)c(=O)cc21 ZINC000012658512 522507033 /nfs/dbraw/zinc/50/70/33/522507033.db2.gz CQTWPVPJEWYXKP-IBGZPJMESA-N 2 2 439.556 2.698 50 0 IFAALP COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000020999364 524072307 /nfs/dbraw/zinc/07/23/07/524072307.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 2 2 449.542 2.640 50 0 IFAALP COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020999364 524072308 /nfs/dbraw/zinc/07/23/08/524072308.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 2 2 449.542 2.640 50 0 IFAALP COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020999364 524072309 /nfs/dbraw/zinc/07/23/09/524072309.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 2 2 449.542 2.640 50 0 IFAALP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000012588006 524926297 /nfs/dbraw/zinc/92/62/97/524926297.db2.gz GXTSETJKSHPXDE-UHFFFAOYSA-N 2 2 445.604 2.885 50 0 IFAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCC(=O)NC1CCCCC1 ZINC000004657470 556005332 /nfs/dbraw/zinc/00/53/32/556005332.db2.gz MKYVGUHZQZBZDU-UHFFFAOYSA-N 2 2 433.593 2.725 50 0 IFAALP CC(C)Oc1ccc(CC[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCOCC3)c2)cc1 ZINC000011874375 556370777 /nfs/dbraw/zinc/37/07/77/556370777.db2.gz MLFXWGHUAYLBSJ-HSZRJFAPSA-N 2 2 428.573 2.878 50 0 IFAALP Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCC[NH+]1CCC([NH+]3CCCCC3)CC1)O2 ZINC000005069934 556630124 /nfs/dbraw/zinc/63/01/24/556630124.db2.gz CNRHAMDPZGOKAG-JOCHJYFZSA-N 2 2 428.577 2.541 50 0 IFAALP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000058505931 556789700 /nfs/dbraw/zinc/78/97/00/556789700.db2.gz WHNLKQQFOAPZBF-VQTJNVASSA-N 2 2 442.608 2.976 50 0 IFAALP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000058505931 556789702 /nfs/dbraw/zinc/78/97/02/556789702.db2.gz WHNLKQQFOAPZBF-VQTJNVASSA-N 2 2 442.608 2.976 50 0 IFAALP O=C(CN1c2ccccc2CCCC1=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000033249596 556889555 /nfs/dbraw/zinc/88/95/55/556889555.db2.gz DDRIAWCKVYOLKG-UHFFFAOYSA-N 2 2 426.605 2.813 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000072139996 556899268 /nfs/dbraw/zinc/89/92/68/556899268.db2.gz CSQWGJKCCGUQLG-UHFFFAOYSA-N 2 2 447.946 2.683 50 0 IFAALP c1cc2nonc2c(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790934 556915000 /nfs/dbraw/zinc/91/50/00/556915000.db2.gz JDLQKRVLWQNOBI-HXUWFJFHSA-N 2 2 435.528 2.734 50 0 IFAALP c1cc2nonc2c(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790934 556915004 /nfs/dbraw/zinc/91/50/04/556915004.db2.gz JDLQKRVLWQNOBI-HXUWFJFHSA-N 2 2 435.528 2.734 50 0 IFAALP COc1ccc(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)cc1OCc1ccccc1 ZINC000019868434 556935243 /nfs/dbraw/zinc/93/52/43/556935243.db2.gz XHPFBWVICKABNV-UHFFFAOYSA-N 2 2 439.600 2.849 50 0 IFAALP Cc1cc(OC[C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])ccc1Cl ZINC000019943256 556953831 /nfs/dbraw/zinc/95/38/31/556953831.db2.gz FHEPDTBKOVBZSN-SFHVURJKSA-N 2 2 444.963 2.656 50 0 IFAALP O=C1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020437419 557016909 /nfs/dbraw/zinc/01/69/09/557016909.db2.gz INGHCKPFBGOOPN-NRFANRHFSA-N 2 2 444.938 2.913 50 0 IFAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000101374695 557281221 /nfs/dbraw/zinc/28/12/21/557281221.db2.gz KWDWQOAZKXDZBK-QPJJXVBHSA-N 2 2 441.597 2.725 50 0 IFAALP CC1CC[NH+](Cc2nc3sc4c(c3c(NC3CC[NH+](CC(N)=O)CC3)n2)CCC4)CC1 ZINC000014228941 557326823 /nfs/dbraw/zinc/32/68/23/557326823.db2.gz DXGQRNPCQDDHMY-UHFFFAOYSA-N 2 2 442.633 2.774 50 0 IFAALP COc1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c(OC)c1OC ZINC000012031157 557524212 /nfs/dbraw/zinc/52/42/12/557524212.db2.gz DFYGTXJEPVAMHL-XMMPIXPASA-N 2 2 430.545 2.876 50 0 IFAALP COc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c(OC)c1OC ZINC000012031157 557524214 /nfs/dbraw/zinc/52/42/14/557524214.db2.gz DFYGTXJEPVAMHL-XMMPIXPASA-N 2 2 430.545 2.876 50 0 IFAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826475 568783819 /nfs/dbraw/zinc/78/38/19/568783819.db2.gz HEKYEUMFTHYCLP-OAQYLSRUSA-N 2 2 434.584 2.614 50 0 IFAALP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340776 569078460 /nfs/dbraw/zinc/07/84/60/569078460.db2.gz QUTSCRFAYGHGKR-OAQYLSRUSA-N 2 2 430.568 2.985 50 0 IFAALP O=C(c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065256057 569123159 /nfs/dbraw/zinc/12/31/59/569123159.db2.gz PWTYUQJKJAWEAA-JOCHJYFZSA-N 2 2 428.540 2.590 50 0 IFAALP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095982987 569377878 /nfs/dbraw/zinc/37/78/78/569377878.db2.gz NVHSHPVZCGDZSB-HXUWFJFHSA-N 3 2 445.677 2.910 50 0 IFAALP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095982987 569377879 /nfs/dbraw/zinc/37/78/79/569377879.db2.gz NVHSHPVZCGDZSB-HXUWFJFHSA-N 3 2 445.677 2.910 50 0 IFAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012704569 522448004 /nfs/dbraw/zinc/44/80/04/522448004.db2.gz ZGPRANIPTWEGOJ-QHCPKHFHSA-N 3 2 449.636 2.511 50 0 IFAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012704569 522448015 /nfs/dbraw/zinc/44/80/15/522448015.db2.gz ZGPRANIPTWEGOJ-QHCPKHFHSA-N 3 2 449.636 2.511 50 0 IFAALP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012091998 522463944 /nfs/dbraw/zinc/46/39/44/522463944.db2.gz ZHBNVPYDFRFDCD-GOSISDBHSA-N 2 2 435.590 2.885 50 0 IFAALP COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012706943 522464607 /nfs/dbraw/zinc/46/46/07/522464607.db2.gz CAAQCHRDIVXRPM-INIZCTEOSA-N 2 2 426.966 2.772 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000022852379 524072878 /nfs/dbraw/zinc/07/28/78/524072878.db2.gz CYXFQYPLKDCLGW-KRWDZBQOSA-N 2 2 440.009 2.687 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022852379 524072879 /nfs/dbraw/zinc/07/28/79/524072879.db2.gz CYXFQYPLKDCLGW-KRWDZBQOSA-N 2 2 440.009 2.687 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC[C@H]4CCC[N@H+]4C)CC3)CC2)n1 ZINC000020905892 524386252 /nfs/dbraw/zinc/38/62/52/524386252.db2.gz NCEUUANALUCZTM-HSZRJFAPSA-N 3 2 427.637 2.667 50 0 IFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCC[C@H]4CCC[N@@H+]4C)CC3)CC2)n1 ZINC000020905892 524386261 /nfs/dbraw/zinc/38/62/61/524386261.db2.gz NCEUUANALUCZTM-HSZRJFAPSA-N 3 2 427.637 2.667 50 0 IFAALP COc1ccc([C@@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000012323981 525267315 /nfs/dbraw/zinc/26/73/15/525267315.db2.gz RTAJDJBXXLJCGB-JOCHJYFZSA-N 2 2 449.559 2.548 50 0 IFAALP O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035404069 526723952 /nfs/dbraw/zinc/72/39/52/526723952.db2.gz NINBEDPJMQWKBX-UHFFFAOYSA-N 2 2 428.540 2.705 50 0 IFAALP O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035404069 526723958 /nfs/dbraw/zinc/72/39/58/526723958.db2.gz NINBEDPJMQWKBX-UHFFFAOYSA-N 2 2 428.540 2.705 50 0 IFAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013736629 556297770 /nfs/dbraw/zinc/29/77/70/556297770.db2.gz WHRKAAPIRFHDPM-UHFFFAOYSA-N 2 2 427.545 2.833 50 0 IFAALP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000032751541 556313339 /nfs/dbraw/zinc/31/33/39/556313339.db2.gz LBTXISGRIIOHPD-JOCHJYFZSA-N 2 2 445.604 2.992 50 0 IFAALP COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000032751541 556313342 /nfs/dbraw/zinc/31/33/42/556313342.db2.gz LBTXISGRIIOHPD-JOCHJYFZSA-N 2 2 445.604 2.992 50 0 IFAALP C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2 ZINC000011813626 556357179 /nfs/dbraw/zinc/35/71/79/556357179.db2.gz VLRRUWPEHSIUNS-OAHLLOKOSA-N 2 2 448.974 2.648 50 0 IFAALP C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC000011813626 556357186 /nfs/dbraw/zinc/35/71/86/556357186.db2.gz VLRRUWPEHSIUNS-OAHLLOKOSA-N 2 2 448.974 2.648 50 0 IFAALP COc1cc(C[NH2+]Cc2csc(C(C)C)n2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000011840439 556364817 /nfs/dbraw/zinc/36/48/17/556364817.db2.gz DTAQBCWFHQZFJZ-HXUWFJFHSA-N 2 2 449.617 2.761 50 0 IFAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)o1 ZINC000012028332 556388116 /nfs/dbraw/zinc/38/81/16/556388116.db2.gz ZHRJFYWMTYGPAM-QFIPXVFZSA-N 2 2 443.573 2.723 50 0 IFAALP Cn1cnnc1Sc1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)o1 ZINC000012028332 556388120 /nfs/dbraw/zinc/38/81/20/556388120.db2.gz ZHRJFYWMTYGPAM-QFIPXVFZSA-N 2 2 443.573 2.723 50 0 IFAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c(Cl)c1 ZINC000067602091 556843703 /nfs/dbraw/zinc/84/37/03/556843703.db2.gz HZCAFEVKSAYOSV-UHFFFAOYSA-N 2 2 443.983 2.853 50 0 IFAALP c1cc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739629 556878604 /nfs/dbraw/zinc/87/86/04/556878604.db2.gz MBPMZHIYLPYXSB-HXUWFJFHSA-N 2 2 435.528 2.734 50 0 IFAALP c1cc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739629 556878606 /nfs/dbraw/zinc/87/86/06/556878606.db2.gz MBPMZHIYLPYXSB-HXUWFJFHSA-N 2 2 435.528 2.734 50 0 IFAALP c1cc2nonc2c(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790935 556914784 /nfs/dbraw/zinc/91/47/84/556914784.db2.gz JDLQKRVLWQNOBI-FQEVSTJZSA-N 2 2 435.528 2.734 50 0 IFAALP c1cc2nonc2c(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790935 556914787 /nfs/dbraw/zinc/91/47/87/556914787.db2.gz JDLQKRVLWQNOBI-FQEVSTJZSA-N 2 2 435.528 2.734 50 0 IFAALP CCn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 ZINC000022919871 557047081 /nfs/dbraw/zinc/04/70/81/557047081.db2.gz QAVHRIWBHXVUSU-JOCHJYFZSA-N 2 2 425.577 2.722 50 0 IFAALP CCn1cc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 ZINC000022919871 557047084 /nfs/dbraw/zinc/04/70/84/557047084.db2.gz QAVHRIWBHXVUSU-JOCHJYFZSA-N 2 2 425.577 2.722 50 0 IFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000022936736 557052893 /nfs/dbraw/zinc/05/28/93/557052893.db2.gz NOXHOOQXZOITKA-GBXCKJPGSA-N 2 2 438.572 2.563 50 0 IFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000022936736 557052899 /nfs/dbraw/zinc/05/28/99/557052899.db2.gz NOXHOOQXZOITKA-GBXCKJPGSA-N 2 2 438.572 2.563 50 0 IFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000022942532 557053892 /nfs/dbraw/zinc/05/38/92/557053892.db2.gz SNOQWYOFPQTNTG-UHFFFAOYSA-N 2 2 427.314 2.847 50 0 IFAALP O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014021421 557284471 /nfs/dbraw/zinc/28/44/71/557284471.db2.gz XVKFLJFHQVCVOB-UHFFFAOYSA-N 2 2 447.583 2.747 50 0 IFAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826480 568783841 /nfs/dbraw/zinc/78/38/41/568783841.db2.gz HEKYEUMFTHYCLP-NRFANRHFSA-N 2 2 434.584 2.614 50 0 IFAALP COc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCN(c5cccc[nH+]5)CC4)ncc3C2)c1 ZINC000015779625 568824997 /nfs/dbraw/zinc/82/49/97/568824997.db2.gz PFPPKZKXTZVWTJ-UHFFFAOYSA-N 2 2 446.555 2.774 50 0 IFAALP COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCN(c5cccc[nH+]5)CC4)ncc3C2)c1 ZINC000015779625 568824999 /nfs/dbraw/zinc/82/49/99/568824999.db2.gz PFPPKZKXTZVWTJ-UHFFFAOYSA-N 2 2 446.555 2.774 50 0 IFAALP O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036255034 568984986 /nfs/dbraw/zinc/98/49/86/568984986.db2.gz YENBAAVCRADHQO-QHCPKHFHSA-N 2 2 444.595 2.744 50 0 IFAALP Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NCc1ccccc1 ZINC000065265860 569127269 /nfs/dbraw/zinc/12/72/69/569127269.db2.gz DFTYMPXUFXMYLE-VWLOTQADSA-N 2 2 428.540 2.786 50 0 IFAALP O=C(c1ccc(C[N@@H+]2CCNC(=O)C2)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000089873232 569166501 /nfs/dbraw/zinc/16/65/01/569166501.db2.gz NHGUNUCABNOQOW-UHFFFAOYSA-N 2 2 442.563 2.730 50 0 IFAALP O=C(c1ccc(C[N@H+]2CCNC(=O)C2)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000089873232 569166502 /nfs/dbraw/zinc/16/65/02/569166502.db2.gz NHGUNUCABNOQOW-UHFFFAOYSA-N 2 2 442.563 2.730 50 0 IFAALP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000055073871 569286137 /nfs/dbraw/zinc/28/61/37/569286137.db2.gz IEHREFGSWHCIKG-QHCPKHFHSA-N 3 2 429.605 2.950 50 0 IFAALP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000055073871 569286138 /nfs/dbraw/zinc/28/61/38/569286138.db2.gz IEHREFGSWHCIKG-QHCPKHFHSA-N 3 2 429.605 2.950 50 0 IFAALP COc1ccc(C[NH+](C)CCC[NH+](C)C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055073871 569286140 /nfs/dbraw/zinc/28/61/40/569286140.db2.gz IEHREFGSWHCIKG-QHCPKHFHSA-N 3 2 429.605 2.950 50 0 IFAALP COc1ccc(C[NH+](C)CCC[NH+](C)C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055073871 569286142 /nfs/dbraw/zinc/28/61/42/569286142.db2.gz IEHREFGSWHCIKG-QHCPKHFHSA-N 3 2 429.605 2.950 50 0 IFAALP COc1cc2c(cc1OC)C[N@H+](Cc1c(O)c(=O)cc(C[NH+]3CCCCC3)n1C)CC2 ZINC000079191632 569328059 /nfs/dbraw/zinc/32/80/59/569328059.db2.gz AYUHDJITWBONDA-UHFFFAOYSA-N 2 2 427.545 2.652 50 0 IFAALP COc1cc2c(cc1OC)C[N@@H+](Cc1c(O)c(=O)cc(C[NH+]3CCCCC3)n1C)CC2 ZINC000079191632 569328061 /nfs/dbraw/zinc/32/80/61/569328061.db2.gz AYUHDJITWBONDA-UHFFFAOYSA-N 2 2 427.545 2.652 50 0 IFAALP C[C@@H](CNc1nc2ccc(Cl)cc2c(NC[C@H](C)[NH+]2CCOCC2)n1)[NH+]1CCOCC1 ZINC000096011508 569379765 /nfs/dbraw/zinc/37/97/65/569379765.db2.gz QEOBSEGABWBLTI-IRXDYDNUSA-N 2 2 448.999 2.548 50 0 IFAALP Cc1[nH+]c(SCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(N2CCOCC2)c1C ZINC000006802077 132279129 /nfs/dbraw/zinc/27/91/29/132279129.db2.gz WODSLARPZXUUSQ-UHFFFAOYSA-N 2 2 429.590 2.514 50 0 IFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000012761839 520977103 /nfs/dbraw/zinc/97/71/03/520977103.db2.gz MQXZMAMUULHEDG-JOCHJYFZSA-N 3 2 427.637 2.953 50 0 IFAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000012761839 520977113 /nfs/dbraw/zinc/97/71/13/520977113.db2.gz MQXZMAMUULHEDG-JOCHJYFZSA-N 2 2 427.637 2.953 50 0 IFAALP CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020599137 521370405 /nfs/dbraw/zinc/37/04/05/521370405.db2.gz OHJSXZSTPVUEED-QHCPKHFHSA-N 2 2 427.589 2.704 50 0 IFAALP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020599137 521370409 /nfs/dbraw/zinc/37/04/09/521370409.db2.gz OHJSXZSTPVUEED-QHCPKHFHSA-N 2 2 427.589 2.704 50 0 IFAALP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3c(F)cccc3F)cc2OC)CC1 ZINC000020993804 521685376 /nfs/dbraw/zinc/68/53/76/521685376.db2.gz FEAVHRADHHWUNP-LJQANCHMSA-N 2 2 449.542 2.640 50 0 IFAALP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3c(F)cccc3F)cc2OC)CC1 ZINC000020993808 521686774 /nfs/dbraw/zinc/68/67/74/521686774.db2.gz FEAVHRADHHWUNP-IBGZPJMESA-N 2 2 449.542 2.640 50 0 IFAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000012445111 522585389 /nfs/dbraw/zinc/58/53/89/522585389.db2.gz DGWRUXIZIAMRQD-HXUWFJFHSA-N 2 2 425.577 2.657 50 0 IFAALP CCn1nc(C)c(C[N@@H+]2CCOc3ccc(C[NH+]4CCC[C@H](C(N)=O)C4)cc3C2)c1C ZINC000091506133 523642795 /nfs/dbraw/zinc/64/27/95/523642795.db2.gz OTDYTUYLOYZDMK-FQEVSTJZSA-N 2 2 425.577 2.612 50 0 IFAALP CCn1nc(C)c(C[N@H+]2CCOc3ccc(C[NH+]4CCC[C@H](C(N)=O)C4)cc3C2)c1C ZINC000091506133 523642804 /nfs/dbraw/zinc/64/28/04/523642804.db2.gz OTDYTUYLOYZDMK-FQEVSTJZSA-N 2 2 425.577 2.612 50 0 IFAALP CCn1nc(C)c(C[NH+]2CCOc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3C2)c1C ZINC000091506133 523642810 /nfs/dbraw/zinc/64/28/10/523642810.db2.gz OTDYTUYLOYZDMK-FQEVSTJZSA-N 2 2 425.577 2.612 50 0 IFAALP CCn1nc(C)c(C[NH+]2CCOc3ccc(C[N@H+]4CCC[C@H](C(N)=O)C4)cc3C2)c1C ZINC000091506133 523642819 /nfs/dbraw/zinc/64/28/19/523642819.db2.gz OTDYTUYLOYZDMK-FQEVSTJZSA-N 2 2 425.577 2.612 50 0 IFAALP COc1ccc(C[NH2+]Cc2cccc(Cl)c2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020905453 524073407 /nfs/dbraw/zinc/07/34/07/524073407.db2.gz LZIXFHAYWRIEMM-OAQYLSRUSA-N 2 2 433.980 2.626 50 0 IFAALP COc1ccc(C[NH2+]Cc2cccc(Cl)c2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020905453 524073409 /nfs/dbraw/zinc/07/34/09/524073409.db2.gz LZIXFHAYWRIEMM-OAQYLSRUSA-N 2 2 433.980 2.626 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020784598 524073444 /nfs/dbraw/zinc/07/34/44/524073444.db2.gz CVEHAZQXIWWTAE-FQEVSTJZSA-N 2 2 433.980 2.626 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020784598 524073446 /nfs/dbraw/zinc/07/34/46/524073446.db2.gz CVEHAZQXIWWTAE-FQEVSTJZSA-N 2 2 433.980 2.626 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)[nH+]1 ZINC000021795746 526967350 /nfs/dbraw/zinc/96/73/50/526967350.db2.gz YKCSSMPWLNKUQT-UHFFFAOYSA-N 2 2 429.956 2.544 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000021794620 526967714 /nfs/dbraw/zinc/96/77/14/526967714.db2.gz UYVBANDYRAXZJZ-UHFFFAOYSA-N 2 2 448.493 2.518 50 0 IFAALP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000021663566 527530480 /nfs/dbraw/zinc/53/04/80/527530480.db2.gz IVIRLTKLKXGAHY-UHFFFAOYSA-N 2 2 440.613 2.900 50 0 IFAALP CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000009076159 556245031 /nfs/dbraw/zinc/24/50/31/556245031.db2.gz PJSMLXNHQZCQEP-QFIPXVFZSA-N 2 2 435.524 2.749 50 0 IFAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736215 556297865 /nfs/dbraw/zinc/29/78/65/556297865.db2.gz GAZMZZFXSPJMGF-UHFFFAOYSA-N 2 2 438.532 2.665 50 0 IFAALP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH+]c[nH]3)C[N@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443737 /nfs/dbraw/zinc/44/37/37/556443737.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 2 2 433.556 2.989 50 0 IFAALP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH+]c[nH]3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443739 /nfs/dbraw/zinc/44/37/39/556443739.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 2 2 433.556 2.989 50 0 IFAALP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]c[nH+]3)C[N@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443741 /nfs/dbraw/zinc/44/37/41/556443741.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 2 2 433.556 2.989 50 0 IFAALP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]c[nH+]3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443743 /nfs/dbraw/zinc/44/37/43/556443743.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 2 2 433.556 2.989 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019223823 556716295 /nfs/dbraw/zinc/71/62/95/556716295.db2.gz FMFWUPFIOPZQMB-QHCPKHFHSA-N 2 2 427.589 2.623 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019223823 556716298 /nfs/dbraw/zinc/71/62/98/556716298.db2.gz FMFWUPFIOPZQMB-QHCPKHFHSA-N 2 2 427.589 2.623 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741230 556882741 /nfs/dbraw/zinc/88/27/41/556882741.db2.gz HQJRMAAGEQIJPA-XMMPIXPASA-N 2 2 441.616 2.747 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741230 556882746 /nfs/dbraw/zinc/88/27/46/556882746.db2.gz HQJRMAAGEQIJPA-XMMPIXPASA-N 2 2 441.616 2.747 50 0 IFAALP O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC000023340447 557085998 /nfs/dbraw/zinc/08/59/98/557085998.db2.gz GDPUNTVXAXEYBQ-UHFFFAOYSA-N 2 2 442.629 2.611 50 0 IFAALP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014948802 557141440 /nfs/dbraw/zinc/14/14/40/557141440.db2.gz ACLYADCTBQAJSS-HSZRJFAPSA-N 3 2 449.636 2.513 50 0 IFAALP COc1ccc(-n2nnnc2C2([NH2+]CCc3c[nH]c4ccccc34)CC[NH+](C)CC2)cc1 ZINC000575443894 568869857 /nfs/dbraw/zinc/86/98/57/568869857.db2.gz SVQKJTIAIWFROT-UHFFFAOYSA-N 2 2 431.544 2.905 50 0 IFAALP O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036254963 568984842 /nfs/dbraw/zinc/98/48/42/568984842.db2.gz MXVWPLYGKGKYQY-HSZRJFAPSA-N 2 2 444.595 2.744 50 0 IFAALP Cc1nc(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000036340173 569078628 /nfs/dbraw/zinc/07/86/28/569078628.db2.gz LVFPNXBYCSTZJV-JOCHJYFZSA-N 2 2 430.568 2.979 50 0 IFAALP Cc1nc(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000036340371 569078720 /nfs/dbraw/zinc/07/87/20/569078720.db2.gz ZCCRKLCYSDJDIZ-OAQYLSRUSA-N 2 2 430.568 2.979 50 0 IFAALP c1ccc(CN2CC[NH+](CC3(CN4CC[NH+](Cc5ccccc5)CC4)COC3)CC2)cc1 ZINC000095401395 569363927 /nfs/dbraw/zinc/36/39/27/569363927.db2.gz IYUPEFLHOIXPBX-UHFFFAOYSA-N 2 2 434.628 2.639 50 0 IFAALP C[C@H](CNc1nc2ccc(Cl)cc2c(NC[C@H](C)[NH+]2CCOCC2)n1)[NH+]1CCOCC1 ZINC000096011506 569379760 /nfs/dbraw/zinc/37/97/60/569379760.db2.gz QEOBSEGABWBLTI-DLBZAZTESA-N 2 2 448.999 2.548 50 0 IFAALP C[N@H+](CCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)Cc1ccccc1 ZINC000003046182 569438726 /nfs/dbraw/zinc/43/87/26/569438726.db2.gz ICQQRPNXZZLVJF-QHCPKHFHSA-N 2 2 431.540 2.652 50 0 IFAALP C[N@@H+](CCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)Cc1ccccc1 ZINC000003046182 569438727 /nfs/dbraw/zinc/43/87/27/569438727.db2.gz ICQQRPNXZZLVJF-QHCPKHFHSA-N 2 2 431.540 2.652 50 0 IFAALP Cc1[nH+]ccn1-c1cc(N2CCC(C(=O)Nc3cc4ccccc4oc3=O)CC2)[nH+]cn1 ZINC000070637914 569548962 /nfs/dbraw/zinc/54/89/62/569548962.db2.gz ZPTAMQGGRXBKDQ-UHFFFAOYSA-N 2 2 430.468 2.932 50 0 IFAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000012473644 520711393 /nfs/dbraw/zinc/71/13/93/520711393.db2.gz CVBOLAANOZWAIG-UHFFFAOYSA-N 2 2 442.000 2.844 50 0 IFAALP COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012706950 522465582 /nfs/dbraw/zinc/46/55/82/522465582.db2.gz CAAQCHRDIVXRPM-MRXNPFEDSA-N 2 2 426.966 2.772 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012588144 524008907 /nfs/dbraw/zinc/00/89/07/524008907.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012588144 524008912 /nfs/dbraw/zinc/00/89/12/524008912.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nnc(C)o2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012588144 524008915 /nfs/dbraw/zinc/00/89/15/524008915.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nnc(C)o2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012588144 524008921 /nfs/dbraw/zinc/00/89/21/524008921.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1 ZINC000012242903 526320044 /nfs/dbraw/zinc/32/00/44/526320044.db2.gz LGXYNFBWPNGUNI-UHFFFAOYSA-N 2 2 440.563 2.646 50 0 IFAALP O=C(CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776707 556326906 /nfs/dbraw/zinc/32/69/06/556326906.db2.gz ODRWFKFATDFJFX-UHFFFAOYSA-N 2 2 447.505 2.961 50 0 IFAALP CN(C)c1ncc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375081 557088625 /nfs/dbraw/zinc/08/86/25/557088625.db2.gz KYGROXJYROIEMT-IBGZPJMESA-N 2 2 443.617 2.720 50 0 IFAALP CN(C)c1ncc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375081 557088629 /nfs/dbraw/zinc/08/86/29/557088629.db2.gz KYGROXJYROIEMT-IBGZPJMESA-N 2 2 443.617 2.720 50 0 IFAALP COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014948797 557141322 /nfs/dbraw/zinc/14/13/22/557141322.db2.gz ACLYADCTBQAJSS-QHCPKHFHSA-N 3 2 449.636 2.513 50 0 IFAALP O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101961982 557297371 /nfs/dbraw/zinc/29/73/71/557297371.db2.gz CXEOPBGOOGVGNI-WXFUMESZSA-N 2 2 446.595 2.710 50 0 IFAALP O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024572541 557459545 /nfs/dbraw/zinc/45/95/45/557459545.db2.gz SNVGSJUJHJHYCI-UHFFFAOYSA-N 2 2 442.604 2.572 50 0 IFAALP Cn1ncc2c1nc[nH+]c2SCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000025000629 557830991 /nfs/dbraw/zinc/83/09/91/557830991.db2.gz PRGDCWAFRBIZGU-UHFFFAOYSA-N 2 2 432.553 2.953 50 0 IFAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000017012285 563021216 /nfs/dbraw/zinc/02/12/16/563021216.db2.gz ONKMWGBGOKTMJA-UHFFFAOYSA-N 2 2 436.604 2.797 50 0 IFAALP CCOc1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)cc1OCC ZINC000015779448 568824981 /nfs/dbraw/zinc/82/49/81/568824981.db2.gz QXWAMSOEPQAJQP-UHFFFAOYSA-N 2 2 425.577 2.974 50 0 IFAALP CCOc1ccc(C[N@H+]2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)cc1OCC ZINC000015779448 568824983 /nfs/dbraw/zinc/82/49/83/568824983.db2.gz QXWAMSOEPQAJQP-UHFFFAOYSA-N 2 2 425.577 2.974 50 0 IFAALP O=C(c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065256217 569123197 /nfs/dbraw/zinc/12/31/97/569123197.db2.gz QPAHSEJOMZLONM-QFIPXVFZSA-N 2 2 428.540 2.590 50 0 IFAALP CC[NH+]1CCN(CCNC(=O)c2c(C)oc3c2C[N@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000065291986 569130570 /nfs/dbraw/zinc/13/05/70/569130570.db2.gz DHDHMFQRDMIDAN-UHFFFAOYSA-N 2 2 428.552 2.653 50 0 IFAALP CC[NH+]1CCN(CCNC(=O)c2c(C)oc3c2C[N@@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000065291986 569130571 /nfs/dbraw/zinc/13/05/71/569130571.db2.gz DHDHMFQRDMIDAN-UHFFFAOYSA-N 2 2 428.552 2.653 50 0 IFAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000017012300 569170448 /nfs/dbraw/zinc/17/04/48/569170448.db2.gz NVCDNLODJTWQLC-UHFFFAOYSA-N 2 2 448.493 2.518 50 0 IFAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C ZINC000078823052 569319419 /nfs/dbraw/zinc/31/94/19/569319419.db2.gz WMRKITDPKYBVPR-IBGZPJMESA-N 2 2 433.512 2.965 50 0 IFAALP CC(=O)Nc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000012219046 519703845 /nfs/dbraw/zinc/70/38/45/519703845.db2.gz VREJSRJTGVXURC-KRWDZBQOSA-N 2 2 426.536 2.893 50 0 IFAALP CCC[NH+]1CCC([N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020515917 519844634 /nfs/dbraw/zinc/84/46/34/519844634.db2.gz CPQQJLPKLHVQFJ-QHCPKHFHSA-N 3 2 428.621 2.872 50 0 IFAALP CCC[NH+]1CCC([N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020515917 519844636 /nfs/dbraw/zinc/84/46/36/519844636.db2.gz CPQQJLPKLHVQFJ-QHCPKHFHSA-N 3 2 428.621 2.872 50 0 IFAALP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020515914 519844693 /nfs/dbraw/zinc/84/46/93/519844693.db2.gz CPQQJLPKLHVQFJ-HSZRJFAPSA-N 3 2 428.621 2.872 50 0 IFAALP CCC[NH+]1CCC([N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020515914 519844694 /nfs/dbraw/zinc/84/46/94/519844694.db2.gz CPQQJLPKLHVQFJ-HSZRJFAPSA-N 3 2 428.621 2.872 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000020541338 524005796 /nfs/dbraw/zinc/00/57/96/524005796.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000020541338 524005805 /nfs/dbraw/zinc/00/58/05/524005805.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000020541338 524005810 /nfs/dbraw/zinc/00/58/10/524005810.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020541338 524005814 /nfs/dbraw/zinc/00/58/14/524005814.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCN(C)CC1 ZINC000020541338 524005819 /nfs/dbraw/zinc/00/58/19/524005819.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCN(C)CC1 ZINC000020541338 524005823 /nfs/dbraw/zinc/00/58/23/524005823.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020541338 524005828 /nfs/dbraw/zinc/00/58/28/524005828.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020541338 524005835 /nfs/dbraw/zinc/00/58/35/524005835.db2.gz YWTBWPNFDKRTRW-NRFANRHFSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2nonc2C)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012439840 524007928 /nfs/dbraw/zinc/00/79/28/524007928.db2.gz WWHBQZQJNUGFEG-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2nonc2C)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012439840 524007935 /nfs/dbraw/zinc/00/79/35/524007935.db2.gz WWHBQZQJNUGFEG-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nonc2C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012439840 524007940 /nfs/dbraw/zinc/00/79/40/524007940.db2.gz WWHBQZQJNUGFEG-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nonc2C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012439840 524007945 /nfs/dbraw/zinc/00/79/45/524007945.db2.gz WWHBQZQJNUGFEG-NRFANRHFSA-N 2 2 440.544 2.890 50 0 IFAALP O=C(CC[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012094319 526554212 /nfs/dbraw/zinc/55/42/12/526554212.db2.gz WVZGCZOGPAQJRX-QFIPXVFZSA-N 2 2 441.620 2.625 50 0 IFAALP O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022088960 526772809 /nfs/dbraw/zinc/77/28/09/526772809.db2.gz ZZZULWZPGTUTHJ-UHFFFAOYSA-N 2 2 449.039 2.609 50 0 IFAALP COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000034668210 555792393 /nfs/dbraw/zinc/79/23/93/555792393.db2.gz KIEPXKRDSGOGQM-UHFFFAOYSA-N 2 2 430.980 2.962 50 0 IFAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)o1 ZINC000012028329 556388215 /nfs/dbraw/zinc/38/82/15/556388215.db2.gz ZHRJFYWMTYGPAM-JOCHJYFZSA-N 2 2 443.573 2.723 50 0 IFAALP Cn1cnnc1Sc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)o1 ZINC000012028329 556388218 /nfs/dbraw/zinc/38/82/18/556388218.db2.gz ZHRJFYWMTYGPAM-JOCHJYFZSA-N 2 2 443.573 2.723 50 0 IFAALP O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022931738 556404549 /nfs/dbraw/zinc/40/45/49/556404549.db2.gz UDWXTWUOHYMSMC-UHFFFAOYSA-N 2 2 448.611 2.520 50 0 IFAALP Cn1cc[nH+]c1CN1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[C@H](C[NH+]2CCCC2)C1 ZINC000014543641 556426471 /nfs/dbraw/zinc/42/64/71/556426471.db2.gz HTHTVFGMOXOIML-IFMALSPDSA-N 2 2 448.615 2.794 50 0 IFAALP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015518159 556532617 /nfs/dbraw/zinc/53/26/17/556532617.db2.gz CBDGGJNBUHNWGZ-IBGZPJMESA-N 2 2 434.544 2.731 50 0 IFAALP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015518159 556532618 /nfs/dbraw/zinc/53/26/18/556532618.db2.gz CBDGGJNBUHNWGZ-IBGZPJMESA-N 2 2 434.544 2.731 50 0 IFAALP COc1cc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc2c1OCO2 ZINC000036385685 556597902 /nfs/dbraw/zinc/59/79/02/556597902.db2.gz VZALLNNMEHYRSD-UHFFFAOYSA-N 2 2 429.561 2.723 50 0 IFAALP COc1cc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc(OC)c1 ZINC000019221221 556715406 /nfs/dbraw/zinc/71/54/06/556715406.db2.gz BAKPTZCAFIXNEW-JOCHJYFZSA-N 2 2 445.604 2.675 50 0 IFAALP CC[NH+](CC)CCN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000019224858 556716580 /nfs/dbraw/zinc/71/65/80/556716580.db2.gz ATHLUUYNFFQCMH-UHFFFAOYSA-N 3 2 429.653 2.867 50 0 IFAALP CC[C@@H](c1nnc(SCc2nc(-c3ccco3)no2)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000058157164 556762849 /nfs/dbraw/zinc/76/28/49/556762849.db2.gz NTSOKJOHJDDPOU-HNNXBMFYSA-N 2 2 447.565 2.558 50 0 IFAALP Cc1nc2ccc(S(=O)(=O)NCCNc3cc(-n4cc[nH+]c4C)nc(C)[nH+]3)cc2s1 ZINC000096817331 556846738 /nfs/dbraw/zinc/84/67/38/556846738.db2.gz ZXXQSGWYFXZZEE-UHFFFAOYSA-N 2 2 443.558 2.588 50 0 IFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[nH+]c(C)n2)c1C ZINC000072437513 556972786 /nfs/dbraw/zinc/97/27/86/556972786.db2.gz FZUFGXWTZGXMFF-UHFFFAOYSA-N 2 2 429.528 2.960 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2OC)CC1 ZINC000020206157 556998193 /nfs/dbraw/zinc/99/81/93/556998193.db2.gz XVADZTKMSXNUGA-JOCHJYFZSA-N 2 2 431.552 2.501 50 0 IFAALP C=Cc1ccc(N2CCC3(CN(CCCN4CC[NH+](C(C)C)CC4)C(=O)O3)CC2)[nH+]c1 ZINC000077297950 556998709 /nfs/dbraw/zinc/99/87/09/556998709.db2.gz RJJRMDYAPNOCNU-UHFFFAOYSA-N 2 2 427.593 2.932 50 0 IFAALP COc1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(Cl)cc1O ZINC000104634319 568837516 /nfs/dbraw/zinc/83/75/16/568837516.db2.gz QPTPJITTXSHPBV-LJQANCHMSA-N 2 2 426.001 2.796 50 0 IFAALP COc1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(Cl)cc1O ZINC000104634319 568837517 /nfs/dbraw/zinc/83/75/17/568837517.db2.gz QPTPJITTXSHPBV-LJQANCHMSA-N 2 2 426.001 2.796 50 0 IFAALP COc1ccc2c(c1)C[C@H](NC(=O)NCCC[NH+]1CCC([NH+]3CCCCC3)CC1)CO2 ZINC000015820939 568839784 /nfs/dbraw/zinc/83/97/84/568839784.db2.gz CVWHRYDRKSWEHQ-FQEVSTJZSA-N 2 2 430.593 2.638 50 0 IFAALP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735390 568886902 /nfs/dbraw/zinc/88/69/02/568886902.db2.gz WHNLKQQFOAPZBF-UXHICEINSA-N 2 2 442.608 2.976 50 0 IFAALP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735390 568886904 /nfs/dbraw/zinc/88/69/04/568886904.db2.gz WHNLKQQFOAPZBF-UXHICEINSA-N 2 2 442.608 2.976 50 0 IFAALP Cc1nc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000036340370 569078790 /nfs/dbraw/zinc/07/87/90/569078790.db2.gz ZCCRKLCYSDJDIZ-NRFANRHFSA-N 2 2 430.568 2.979 50 0 IFAALP C[C@H](CNc1nc2ccc(Cl)cc2c(NC[C@@H](C)[NH+]2CCOCC2)n1)[NH+]1CCOCC1 ZINC000096011507 569379728 /nfs/dbraw/zinc/37/97/28/569379728.db2.gz QEOBSEGABWBLTI-IAGOWNOFSA-N 2 2 448.999 2.548 50 0 IFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805169 521658807 /nfs/dbraw/zinc/65/88/07/521658807.db2.gz NOXHOOQXZOITKA-RDPSFJRHSA-N 2 2 438.572 2.563 50 0 IFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805169 521658810 /nfs/dbraw/zinc/65/88/10/521658810.db2.gz NOXHOOQXZOITKA-RDPSFJRHSA-N 2 2 438.572 2.563 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCc3ccccc3C)cc2OC)CC1 ZINC000020601193 521686977 /nfs/dbraw/zinc/68/69/77/521686977.db2.gz CJXIMHLMYRFRQZ-DEOSSOPVSA-N 2 2 441.616 2.713 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000022852381 524073007 /nfs/dbraw/zinc/07/30/07/524073007.db2.gz CYXFQYPLKDCLGW-QGZVFWFLSA-N 2 2 440.009 2.687 50 0 IFAALP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000022852381 524073008 /nfs/dbraw/zinc/07/30/08/524073008.db2.gz CYXFQYPLKDCLGW-QGZVFWFLSA-N 2 2 440.009 2.687 50 0 IFAALP Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000012836807 524460034 /nfs/dbraw/zinc/46/00/34/524460034.db2.gz UMEUWCNCOFWTKH-JOCHJYFZSA-N 2 2 426.605 2.600 50 0 IFAALP Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000012836807 524460040 /nfs/dbraw/zinc/46/00/40/524460040.db2.gz UMEUWCNCOFWTKH-JOCHJYFZSA-N 2 2 426.605 2.600 50 0 IFAALP O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000012705556 527099466 /nfs/dbraw/zinc/09/94/66/527099466.db2.gz LOIHMLWXMWLAST-RUZDIDTESA-N 2 2 446.595 2.598 50 0 IFAALP O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000012705556 527099472 /nfs/dbraw/zinc/09/94/72/527099472.db2.gz LOIHMLWXMWLAST-RUZDIDTESA-N 2 2 446.595 2.598 50 0 IFAALP C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[N@@H+](C)C4)CC1 ZINC000002429170 536426122 /nfs/dbraw/zinc/42/61/22/536426122.db2.gz OPWNSIFFKPUVMZ-UHFFFAOYSA-N 2 2 429.977 2.840 50 0 IFAALP C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[N@H+](C)C4)CC1 ZINC000002429170 536426125 /nfs/dbraw/zinc/42/61/25/536426125.db2.gz OPWNSIFFKPUVMZ-UHFFFAOYSA-N 2 2 429.977 2.840 50 0 IFAALP C[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)Cc1ccncn1 ZINC000011664167 556344686 /nfs/dbraw/zinc/34/46/86/556344686.db2.gz YNDMWDBNZKLCDG-UHFFFAOYSA-N 2 2 447.587 2.847 50 0 IFAALP C[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)Cc1ccncn1 ZINC000011664167 556344689 /nfs/dbraw/zinc/34/46/89/556344689.db2.gz YNDMWDBNZKLCDG-UHFFFAOYSA-N 2 2 447.587 2.847 50 0 IFAALP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000011983325 556383876 /nfs/dbraw/zinc/38/38/76/556383876.db2.gz MBERJIVROCQVSQ-UXHICEINSA-N 2 2 431.581 2.646 50 0 IFAALP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000011983325 556383880 /nfs/dbraw/zinc/38/38/80/556383880.db2.gz MBERJIVROCQVSQ-UXHICEINSA-N 2 2 431.581 2.646 50 0 IFAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014731489 556436786 /nfs/dbraw/zinc/43/67/86/556436786.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 2 2 437.519 2.820 50 0 IFAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014731489 556436788 /nfs/dbraw/zinc/43/67/88/556436788.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 2 2 437.519 2.820 50 0 IFAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014731489 556436790 /nfs/dbraw/zinc/43/67/90/556436790.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 2 2 437.519 2.820 50 0 IFAALP O=C(NCCc1c[nH]c[nH+]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014731489 556436791 /nfs/dbraw/zinc/43/67/91/556436791.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 2 2 437.519 2.820 50 0 IFAALP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000062581711 556837940 /nfs/dbraw/zinc/83/79/40/556837940.db2.gz RZSOWJKLDOUWFP-HSZRJFAPSA-N 3 2 449.039 2.637 50 0 IFAALP O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000062581711 556837943 /nfs/dbraw/zinc/83/79/43/556837943.db2.gz RZSOWJKLDOUWFP-HSZRJFAPSA-N 2 2 449.039 2.637 50 0 IFAALP CSc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c1 ZINC000067602001 556843358 /nfs/dbraw/zinc/84/33/58/556843358.db2.gz KUPDSTLPWOTVMJ-UHFFFAOYSA-N 2 2 441.605 2.613 50 0 IFAALP Cc1c[nH]c(CCNC(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)[nH+]1 ZINC000020135020 556988085 /nfs/dbraw/zinc/98/80/85/556988085.db2.gz INRKHYBCMZVYES-UHFFFAOYSA-N 2 2 436.560 2.899 50 0 IFAALP CN(CC[NH+]1CCOCC1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000020204424 556997831 /nfs/dbraw/zinc/99/78/31/556997831.db2.gz NHBDYQCNRBLQPX-UHFFFAOYSA-N 2 2 438.572 2.529 50 0 IFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000022936733 557052971 /nfs/dbraw/zinc/05/29/71/557052971.db2.gz NOXHOOQXZOITKA-HYBUGGRVSA-N 2 2 438.572 2.563 50 0 IFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000022936733 557052977 /nfs/dbraw/zinc/05/29/77/557052977.db2.gz NOXHOOQXZOITKA-HYBUGGRVSA-N 2 2 438.572 2.563 50 0 IFAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1ccccc1F ZINC000022942558 557053921 /nfs/dbraw/zinc/05/39/21/557053921.db2.gz UBBDLEOTJNTBKU-UHFFFAOYSA-N 2 2 427.314 2.847 50 0 IFAALP O=C1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000101163674 557284201 /nfs/dbraw/zinc/28/42/01/557284201.db2.gz AMGBDWDUFPVZLA-NRFANRHFSA-N 2 2 444.938 2.913 50 0 IFAALP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000089794014 569164037 /nfs/dbraw/zinc/16/40/37/569164037.db2.gz URDOWNLOFGYSBT-UHFFFAOYSA-N 2 2 448.571 2.718 50 0 IFAALP CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CC1 ZINC000013117019 569310857 /nfs/dbraw/zinc/31/08/57/569310857.db2.gz OAQIWPOYBMHGPI-IBGZPJMESA-N 2 2 442.633 2.898 50 0 IFAALP Cc1[nH+]c2cc(NC(=O)CCc3c(C)nc4ncnn4c3C)ccc2n1CCC[NH+](C)C ZINC000079464794 569330486 /nfs/dbraw/zinc/33/04/86/569330486.db2.gz QNDNTTOYEMTHJJ-UHFFFAOYSA-N 2 2 434.548 2.922 50 0 IFAALP COc1ccccc1N1CC[NH+](Cc2c(O)c(=O)cc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000079489053 569331289 /nfs/dbraw/zinc/33/12/89/569331289.db2.gz IOKVREVXTILJBP-UHFFFAOYSA-N 2 2 440.588 2.798 50 0 IFAALP CN(CC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000039461628 569481566 /nfs/dbraw/zinc/48/15/66/569481566.db2.gz OEOJWRQLJCASMH-DEOSSOPVSA-N 2 2 434.584 2.598 50 0 IFAALP CN(CC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000039461628 569481567 /nfs/dbraw/zinc/48/15/67/569481567.db2.gz OEOJWRQLJCASMH-DEOSSOPVSA-N 2 2 434.584 2.598 50 0 IFAALP COCc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920856 522972232 /nfs/dbraw/zinc/97/22/32/522972232.db2.gz ZZJXUSLUSHXXLZ-HXUWFJFHSA-N 2 2 427.545 2.937 50 0 IFAALP COCc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920856 522972239 /nfs/dbraw/zinc/97/22/39/522972239.db2.gz ZZJXUSLUSHXXLZ-HXUWFJFHSA-N 2 2 427.545 2.937 50 0 IFAALP CC[C@@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000012897563 523131265 /nfs/dbraw/zinc/13/12/65/523131265.db2.gz RYOFMDZERJLQMB-NRFANRHFSA-N 2 2 444.649 2.775 50 0 IFAALP COc1ccc([C@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000012323982 525428522 /nfs/dbraw/zinc/42/85/22/525428522.db2.gz RTAJDJBXXLJCGB-QFIPXVFZSA-N 2 2 449.559 2.548 50 0 IFAALP O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040926776 526305631 /nfs/dbraw/zinc/30/56/31/526305631.db2.gz AHBSZOHIKPZVBJ-UHFFFAOYSA-N 2 2 432.528 2.692 50 0 IFAALP O=C(c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020941256 526887465 /nfs/dbraw/zinc/88/74/65/526887465.db2.gz OIZRDWPEQKLKOL-UHFFFAOYSA-N 2 2 434.519 2.836 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000021794616 526967423 /nfs/dbraw/zinc/96/74/23/526967423.db2.gz AURKLDBCDAPYMX-UHFFFAOYSA-N 2 2 448.493 2.518 50 0 IFAALP CC[NH+](CC)CCNC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000009597558 535529229 /nfs/dbraw/zinc/52/92/29/535529229.db2.gz KRVHPIDMANDCQG-UHFFFAOYSA-N 2 2 441.576 2.557 50 0 IFAALP COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2C[N@H+](Cc2ccncc2)CC3)c1 ZINC000034755571 555900513 /nfs/dbraw/zinc/90/05/13/555900513.db2.gz MBUYFHUEBLVHCT-UHFFFAOYSA-N 2 2 446.555 2.983 50 0 IFAALP COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2C[N@@H+](Cc2ccncc2)CC3)c1 ZINC000034755571 555900514 /nfs/dbraw/zinc/90/05/14/555900514.db2.gz MBUYFHUEBLVHCT-UHFFFAOYSA-N 2 2 446.555 2.983 50 0 IFAALP COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000014966052 556465717 /nfs/dbraw/zinc/46/57/17/556465717.db2.gz VCWNFTDKGCMVMI-NRFANRHFSA-N 2 2 434.964 2.753 50 0 IFAALP O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CC[NH+](CCO)CC1 ZINC000015061670 556490714 /nfs/dbraw/zinc/49/07/14/556490714.db2.gz FGNSPXFPOIJSQG-UHFFFAOYSA-N 2 2 437.584 2.523 50 0 IFAALP C[N@H+](CCn1cc[nH+]c1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000015066947 556493060 /nfs/dbraw/zinc/49/30/60/556493060.db2.gz JRQNMJASUNJPDW-UHFFFAOYSA-N 3 2 449.603 2.753 50 0 IFAALP C[N@@H+](CCn1cc[nH+]c1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000015066947 556493066 /nfs/dbraw/zinc/49/30/66/556493066.db2.gz JRQNMJASUNJPDW-UHFFFAOYSA-N 3 2 449.603 2.753 50 0 IFAALP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](Cc3cccc4c3OCO4)CC2)CC1 ZINC000015069891 556494980 /nfs/dbraw/zinc/49/49/80/556494980.db2.gz RVULNNMSWUSGIS-UHFFFAOYSA-N 2 2 436.556 2.803 50 0 IFAALP COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000015075039 556498765 /nfs/dbraw/zinc/49/87/65/556498765.db2.gz MILHGCYBTUIFDQ-DEOSSOPVSA-N 2 2 448.611 2.867 50 0 IFAALP COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000015075039 556498767 /nfs/dbraw/zinc/49/87/67/556498767.db2.gz MILHGCYBTUIFDQ-DEOSSOPVSA-N 2 2 448.611 2.867 50 0 IFAALP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000072308608 556565331 /nfs/dbraw/zinc/56/53/31/556565331.db2.gz IWPATACMEMXVCF-LJQANCHMSA-N 2 2 447.583 2.944 50 0 IFAALP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000072308608 556565334 /nfs/dbraw/zinc/56/53/34/556565334.db2.gz IWPATACMEMXVCF-LJQANCHMSA-N 2 2 447.583 2.944 50 0 IFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000019220761 556715077 /nfs/dbraw/zinc/71/50/77/556715077.db2.gz UQMFQZAVTMAPOA-QFIPXVFZSA-N 2 2 429.584 2.753 50 0 IFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000019220761 556715079 /nfs/dbraw/zinc/71/50/79/556715079.db2.gz UQMFQZAVTMAPOA-QFIPXVFZSA-N 2 2 429.584 2.753 50 0 IFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000019220761 556715081 /nfs/dbraw/zinc/71/50/81/556715081.db2.gz UQMFQZAVTMAPOA-QFIPXVFZSA-N 2 2 429.584 2.753 50 0 IFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000019220761 556715084 /nfs/dbraw/zinc/71/50/84/556715084.db2.gz UQMFQZAVTMAPOA-QFIPXVFZSA-N 2 2 429.584 2.753 50 0 IFAALP CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc[nH+]c3N3CCOCC3)cc2C)CC1 ZINC000058357807 556782926 /nfs/dbraw/zinc/78/29/26/556782926.db2.gz UKGLZNXJJODGDL-UHFFFAOYSA-N 2 2 438.576 2.690 50 0 IFAALP C[N@H+](C[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058393241 556785101 /nfs/dbraw/zinc/78/51/01/556785101.db2.gz KFIQZDNQCPWLPC-HSZRJFAPSA-N 2 2 436.604 2.577 50 0 IFAALP C[N@@H+](C[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058393241 556785103 /nfs/dbraw/zinc/78/51/03/556785103.db2.gz KFIQZDNQCPWLPC-HSZRJFAPSA-N 2 2 436.604 2.577 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000067629944 556845167 /nfs/dbraw/zinc/84/51/67/556845167.db2.gz JQTISMGFTNJXCY-UHFFFAOYSA-N 2 2 448.493 2.518 50 0 IFAALP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033071040 556851116 /nfs/dbraw/zinc/85/11/16/556851116.db2.gz OXMWGNGTUAANEE-UHFFFAOYSA-N 2 2 446.599 2.713 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCc3cccc(F)c3)cc2OC)CC1 ZINC000019770972 556913078 /nfs/dbraw/zinc/91/30/78/556913078.db2.gz SYHOMYXMXPXXEA-HSZRJFAPSA-N 2 2 445.579 2.544 50 0 IFAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000101373418 557278530 /nfs/dbraw/zinc/27/85/30/557278530.db2.gz LSVXSJVRRSHRMY-UHFFFAOYSA-N 2 2 441.572 2.918 50 0 IFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(OCC)c(OC)c2)C3)CC1 ZINC000015779529 568825073 /nfs/dbraw/zinc/82/50/73/568825073.db2.gz XVJXGEJXMVZXQY-UHFFFAOYSA-N 2 2 425.577 2.974 50 0 IFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(OCC)c(OC)c2)C3)CC1 ZINC000015779529 568825074 /nfs/dbraw/zinc/82/50/74/568825074.db2.gz XVJXGEJXMVZXQY-UHFFFAOYSA-N 2 2 425.577 2.974 50 0 IFAALP Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255011 568984856 /nfs/dbraw/zinc/98/48/56/568984856.db2.gz GTQOFSWUCFPMLC-DEOSSOPVSA-N 2 2 440.632 2.914 50 0 IFAALP Cc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255058 568985092 /nfs/dbraw/zinc/98/50/92/568985092.db2.gz UMHNSOVDYJUTIT-XMMPIXPASA-N 2 2 440.632 2.914 50 0 IFAALP O=C(c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065256056 569123263 /nfs/dbraw/zinc/12/32/63/569123263.db2.gz PWTYUQJKJAWEAA-QFIPXVFZSA-N 2 2 428.540 2.590 50 0 IFAALP O=C(Cn1ncc2c1nc[nH+]c2N1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065295051 569131304 /nfs/dbraw/zinc/13/13/04/569131304.db2.gz IIBUAPHHEBOBMQ-UHFFFAOYSA-N 2 2 433.560 2.597 50 0 IFAALP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000089967787 569169183 /nfs/dbraw/zinc/16/91/83/569169183.db2.gz WHNLKQQFOAPZBF-PMACEKPBSA-N 2 2 442.608 2.976 50 0 IFAALP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000089967787 569169184 /nfs/dbraw/zinc/16/91/84/569169184.db2.gz WHNLKQQFOAPZBF-PMACEKPBSA-N 2 2 442.608 2.976 50 0 IFAALP C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c2C1 ZINC000095956732 569376854 /nfs/dbraw/zinc/37/68/54/569376854.db2.gz UAZYCHRDCSDYRX-UHFFFAOYSA-N 2 2 430.552 2.985 50 0 IFAALP C[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c2C1 ZINC000095956732 569376855 /nfs/dbraw/zinc/37/68/55/569376855.db2.gz UAZYCHRDCSDYRX-UHFFFAOYSA-N 2 2 430.552 2.985 50 0 IFAALP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036256830 569587983 /nfs/dbraw/zinc/58/79/83/569587983.db2.gz XBALYMARXGXHFW-NZQKXSOJSA-N 2 2 432.653 2.870 50 0 IFAALP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036256830 569587984 /nfs/dbraw/zinc/58/79/84/569587984.db2.gz XBALYMARXGXHFW-NZQKXSOJSA-N 2 2 432.653 2.870 50 0 IFAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000009620749 132323816 /nfs/dbraw/zinc/32/38/16/132323816.db2.gz IJGYVGYSPHDDER-UHFFFAOYSA-N 2 2 430.556 2.652 50 0 IFAALP Cc1cc(N2CC[NH+](C)CC2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000011027535 132337121 /nfs/dbraw/zinc/33/71/21/132337121.db2.gz SKOPQEBIVSOELK-UHFFFAOYSA-N 2 2 448.493 2.518 50 0 IFAALP CCOc1ccc(C(=O)N2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)cc1OCC ZINC000035598080 520898151 /nfs/dbraw/zinc/89/81/51/520898151.db2.gz SXTDNTHJJGYASK-UHFFFAOYSA-N 2 2 436.516 2.731 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2OC)CC1 ZINC000022918903 521686676 /nfs/dbraw/zinc/68/66/76/521686676.db2.gz BFKRXPCNAJIDOG-FQEVSTJZSA-N 2 2 449.542 2.640 50 0 IFAALP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000012796471 524002196 /nfs/dbraw/zinc/00/21/96/524002196.db2.gz LETADDXCFIJYJK-UHFFFAOYSA-N 2 2 441.572 2.925 50 0 IFAALP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000012796471 524002200 /nfs/dbraw/zinc/00/22/00/524002200.db2.gz LETADDXCFIJYJK-UHFFFAOYSA-N 2 2 441.572 2.925 50 0 IFAALP O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000022798693 526774879 /nfs/dbraw/zinc/77/48/79/526774879.db2.gz CYSAJZJJUBWIHY-UHFFFAOYSA-N 2 2 436.556 2.767 50 0 IFAALP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000032751538 556313422 /nfs/dbraw/zinc/31/34/22/556313422.db2.gz LBTXISGRIIOHPD-QFIPXVFZSA-N 2 2 445.604 2.992 50 0 IFAALP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000032751538 556313428 /nfs/dbraw/zinc/31/34/28/556313428.db2.gz LBTXISGRIIOHPD-QFIPXVFZSA-N 2 2 445.604 2.992 50 0 IFAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009850820 556313915 /nfs/dbraw/zinc/31/39/15/556313915.db2.gz MKLACUBEAVGYNY-UHFFFAOYSA-N 2 2 437.584 2.926 50 0 IFAALP O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015065313 556492443 /nfs/dbraw/zinc/49/24/43/556492443.db2.gz BFPLKNJTOWWPIX-QFIPXVFZSA-N 2 2 426.605 2.682 50 0 IFAALP O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015065313 556492447 /nfs/dbraw/zinc/49/24/47/556492447.db2.gz BFPLKNJTOWWPIX-QFIPXVFZSA-N 2 2 426.605 2.682 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019223827 556716275 /nfs/dbraw/zinc/71/62/75/556716275.db2.gz FMFWUPFIOPZQMB-HSZRJFAPSA-N 2 2 427.589 2.623 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019223827 556716278 /nfs/dbraw/zinc/71/62/78/556716278.db2.gz FMFWUPFIOPZQMB-HSZRJFAPSA-N 2 2 427.589 2.623 50 0 IFAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000067602094 556843651 /nfs/dbraw/zinc/84/36/51/556843651.db2.gz WXXOLPKQGCRCRW-UHFFFAOYSA-N 2 2 443.983 2.853 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741232 556882777 /nfs/dbraw/zinc/88/27/77/556882777.db2.gz HQJRMAAGEQIJPA-DEOSSOPVSA-N 2 2 441.616 2.747 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741232 556882779 /nfs/dbraw/zinc/88/27/79/556882779.db2.gz HQJRMAAGEQIJPA-DEOSSOPVSA-N 2 2 441.616 2.747 50 0 IFAALP Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)CC1 ZINC000072117349 556898143 /nfs/dbraw/zinc/89/81/43/556898143.db2.gz LEZOCDDNNJXQTL-UHFFFAOYSA-N 2 2 429.956 2.544 50 0 IFAALP Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)cc1Cl ZINC000023360661 557087849 /nfs/dbraw/zinc/08/78/49/557087849.db2.gz CCGFSZVKSQPTHE-ISKFKSNPSA-N 2 2 429.992 2.841 50 0 IFAALP Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)cc1Cl ZINC000023360661 557087854 /nfs/dbraw/zinc/08/78/54/557087854.db2.gz CCGFSZVKSQPTHE-ISKFKSNPSA-N 2 2 429.992 2.841 50 0 IFAALP O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036254960 568984847 /nfs/dbraw/zinc/98/48/47/568984847.db2.gz MXVWPLYGKGKYQY-QHCPKHFHSA-N 2 2 444.595 2.744 50 0 IFAALP Cc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255101 568985038 /nfs/dbraw/zinc/98/50/38/568985038.db2.gz QROQNEUPWYNWEY-XMMPIXPASA-N 2 2 440.632 2.914 50 0 IFAALP CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036311003 568996841 /nfs/dbraw/zinc/99/68/41/568996841.db2.gz VUVHDOWSAMSQCW-JOCHJYFZSA-N 2 2 429.609 2.853 50 0 IFAALP COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)n3C)C2)c1 ZINC000065210990 569116419 /nfs/dbraw/zinc/11/64/19/569116419.db2.gz PMRJNPCEUICHKL-UHFFFAOYSA-N 2 2 445.567 2.949 50 0 IFAALP COc1cccc(C[N@H+]2CCc3c(cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)n3C)C2)c1 ZINC000065210990 569116420 /nfs/dbraw/zinc/11/64/20/569116420.db2.gz PMRJNPCEUICHKL-UHFFFAOYSA-N 2 2 445.567 2.949 50 0 IFAALP C[N@H+](CCNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C)C1CC1 ZINC000089662701 569160976 /nfs/dbraw/zinc/16/09/76/569160976.db2.gz KUNPLUFNQGFDTL-NRFANRHFSA-N 2 2 441.576 2.578 50 0 IFAALP C[N@@H+](CCNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C)C1CC1 ZINC000089662701 569160977 /nfs/dbraw/zinc/16/09/77/569160977.db2.gz KUNPLUFNQGFDTL-NRFANRHFSA-N 2 2 441.576 2.578 50 0 IFAALP CC[NH+](CC)[C@@H](CNC(=O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1)c1ccco1 ZINC000089967784 569169084 /nfs/dbraw/zinc/16/90/84/569169084.db2.gz ZPMPRVIVAKMKEW-IBGZPJMESA-N 2 2 432.590 2.735 50 0 IFAALP CCSc1nnc(NC(=O)C2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)s1 ZINC000070637911 569548976 /nfs/dbraw/zinc/54/89/76/569548976.db2.gz APJQMPRHLCVACD-UHFFFAOYSA-N 2 2 430.563 2.789 50 0 IFAALP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000105000602 569587042 /nfs/dbraw/zinc/58/70/42/569587042.db2.gz XBALYMARXGXHFW-OFNKIYASSA-N 2 2 432.653 2.870 50 0 IFAALP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000105000602 569587043 /nfs/dbraw/zinc/58/70/43/569587043.db2.gz XBALYMARXGXHFW-OFNKIYASSA-N 2 2 432.653 2.870 50 0 IFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2OC)CC1 ZINC000020907584 521686695 /nfs/dbraw/zinc/68/66/95/521686695.db2.gz BEZLZIHSFXXBJU-QHCPKHFHSA-N 2 2 427.589 2.671 50 0 IFAALP COCC[NH+]1CCC(C[N@H+](C)Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 ZINC000012432911 523812332 /nfs/dbraw/zinc/81/23/32/523812332.db2.gz GPLGPXMZLBMRSL-UHFFFAOYSA-N 2 2 440.654 2.657 50 0 IFAALP COCC[NH+]1CCC(C[N@@H+](C)Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 ZINC000012432911 523812337 /nfs/dbraw/zinc/81/23/37/523812337.db2.gz GPLGPXMZLBMRSL-UHFFFAOYSA-N 2 2 440.654 2.657 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCC[NH+](C)CC1 ZINC000020541341 524006297 /nfs/dbraw/zinc/00/62/97/524006297.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCC[NH+](C)CC1 ZINC000020541341 524006301 /nfs/dbraw/zinc/00/63/01/524006301.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000020541341 524006305 /nfs/dbraw/zinc/00/63/05/524006305.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020541341 524006310 /nfs/dbraw/zinc/00/63/10/524006310.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCN(C)CC1 ZINC000020541341 524006313 /nfs/dbraw/zinc/00/63/13/524006313.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCN(C)CC1 ZINC000020541341 524006318 /nfs/dbraw/zinc/00/63/18/524006318.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020541341 524006319 /nfs/dbraw/zinc/00/63/19/524006319.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP COc1ccc(C[NH+](C)Cc2ccc(C)o2)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020541341 524006326 /nfs/dbraw/zinc/00/63/26/524006326.db2.gz YWTBWPNFDKRTRW-OAQYLSRUSA-N 2 2 431.577 2.606 50 0 IFAALP Cc1ccc(N2CC[NH+](CCc3[nH+]c4cc(NS(C)(=O)=O)ccc4n3C)CC2)cc1 ZINC000020518634 524964568 /nfs/dbraw/zinc/96/45/68/524964568.db2.gz VHSNEFAPIRVJOK-UHFFFAOYSA-N 2 2 427.574 2.618 50 0 IFAALP C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012619227 525175285 /nfs/dbraw/zinc/17/52/85/525175285.db2.gz YMIARIYMSZAXIZ-OFAXGOBFSA-N 2 2 431.540 2.611 50 0 IFAALP O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035404572 526724092 /nfs/dbraw/zinc/72/40/92/526724092.db2.gz YMEHUJBKZNVJIP-UHFFFAOYSA-N 2 2 446.530 2.844 50 0 IFAALP O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035404572 526724096 /nfs/dbraw/zinc/72/40/96/526724096.db2.gz YMEHUJBKZNVJIP-UHFFFAOYSA-N 2 2 446.530 2.844 50 0 IFAALP Cc1nc(CN2CC[NH+](Cc3ccccc3OC[C@@H](O)C[NH+]3CCCCC3)CC2)cs1 ZINC000020995349 526865780 /nfs/dbraw/zinc/86/57/80/526865780.db2.gz FTAINSZJEXFFJS-QHCPKHFHSA-N 2 2 444.645 2.995 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000021794583 526967581 /nfs/dbraw/zinc/96/75/81/526967581.db2.gz RMPWIKWAJCFNOT-UHFFFAOYSA-N 2 2 436.604 2.797 50 0 IFAALP Cc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)o1 ZINC000001179463 555671189 /nfs/dbraw/zinc/67/11/89/555671189.db2.gz MMWNVBFWQDHFMJ-UHFFFAOYSA-N 2 2 425.529 2.873 50 0 IFAALP O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002340416 555770239 /nfs/dbraw/zinc/77/02/39/555770239.db2.gz CXEOPBGOOGVGNI-RBZQAINGSA-N 2 2 446.595 2.710 50 0 IFAALP C[C@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2 ZINC000011813628 556357221 /nfs/dbraw/zinc/35/72/21/556357221.db2.gz VLRRUWPEHSIUNS-HNNXBMFYSA-N 2 2 448.974 2.648 50 0 IFAALP C[C@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC000011813628 556357225 /nfs/dbraw/zinc/35/72/25/556357225.db2.gz VLRRUWPEHSIUNS-HNNXBMFYSA-N 2 2 448.974 2.648 50 0 IFAALP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733526 556437906 /nfs/dbraw/zinc/43/79/06/556437906.db2.gz BBNQKFREYRNHNM-ZVDOUQERSA-N 2 2 443.636 2.570 50 0 IFAALP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733526 556437909 /nfs/dbraw/zinc/43/79/09/556437909.db2.gz BBNQKFREYRNHNM-ZVDOUQERSA-N 2 2 443.636 2.570 50 0 IFAALP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000072308607 556565263 /nfs/dbraw/zinc/56/52/63/556565263.db2.gz IWPATACMEMXVCF-IBGZPJMESA-N 2 2 447.583 2.944 50 0 IFAALP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000072308607 556565265 /nfs/dbraw/zinc/56/52/65/556565265.db2.gz IWPATACMEMXVCF-IBGZPJMESA-N 2 2 447.583 2.944 50 0 IFAALP Cc1[nH+]c2ccccn2c1CN1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019362523 556745684 /nfs/dbraw/zinc/74/56/84/556745684.db2.gz YXOAOMNSJQMIOX-OAQYLSRUSA-N 2 2 428.964 2.991 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000067614254 556844897 /nfs/dbraw/zinc/84/48/97/556844897.db2.gz VBORMGCKCXNTRY-UHFFFAOYSA-N 2 2 443.983 2.853 50 0 IFAALP O=c1cc(C[N@@H+]2CCc3ccccc3C2)nc(N2CC[NH+](Cc3ccc(F)cc3)CC2)[nH]1 ZINC000035926935 556894602 /nfs/dbraw/zinc/89/46/02/556894602.db2.gz SVVCWJRDYGWTKA-UHFFFAOYSA-N 2 2 433.531 2.790 50 0 IFAALP O=c1cc(C[N@H+]2CCc3ccccc3C2)nc(N2CC[NH+](Cc3ccc(F)cc3)CC2)[nH]1 ZINC000035926935 556894604 /nfs/dbraw/zinc/89/46/04/556894604.db2.gz SVVCWJRDYGWTKA-UHFFFAOYSA-N 2 2 433.531 2.790 50 0 IFAALP Cc1cc(OC[C@H](O)Cn2c3ccccc3n(CC[NH+]3CCOCC3)c2=[NH2+])ccc1Cl ZINC000019943259 556953893 /nfs/dbraw/zinc/95/38/93/556953893.db2.gz FHEPDTBKOVBZSN-GOSISDBHSA-N 2 2 444.963 2.656 50 0 IFAALP C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)[nH+]cn2)CC1 ZINC000072442538 556973320 /nfs/dbraw/zinc/97/33/20/556973320.db2.gz HCMHRBXDHHPWOB-UHFFFAOYSA-N 2 2 442.567 2.858 50 0 IFAALP O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255029 557005760 /nfs/dbraw/zinc/00/57/60/557005760.db2.gz BDVDLZAGTYETFJ-QHCPKHFHSA-N 2 2 444.595 2.744 50 0 IFAALP CCn1cc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 ZINC000022919876 557046971 /nfs/dbraw/zinc/04/69/71/557046971.db2.gz QAVHRIWBHXVUSU-QFIPXVFZSA-N 2 2 425.577 2.722 50 0 IFAALP CCn1cc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 ZINC000022919876 557046974 /nfs/dbraw/zinc/04/69/74/557046974.db2.gz QAVHRIWBHXVUSU-QFIPXVFZSA-N 2 2 425.577 2.722 50 0 IFAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1CN1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000101374232 557280968 /nfs/dbraw/zinc/28/09/68/557280968.db2.gz JKOKCYUFCICFQW-UHFFFAOYSA-N 2 2 445.535 2.667 50 0 IFAALP COc1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c(OC)c1OC ZINC000012031154 557524176 /nfs/dbraw/zinc/52/41/76/557524176.db2.gz DFYGTXJEPVAMHL-DEOSSOPVSA-N 2 2 430.545 2.876 50 0 IFAALP COc1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c(OC)c1OC ZINC000012031154 557524180 /nfs/dbraw/zinc/52/41/80/557524180.db2.gz DFYGTXJEPVAMHL-DEOSSOPVSA-N 2 2 430.545 2.876 50 0 IFAALP O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000239287512 557843653 /nfs/dbraw/zinc/84/36/53/557843653.db2.gz CXEOPBGOOGVGNI-SMIHKQSGSA-N 2 2 446.595 2.710 50 0 IFAALP COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(O)c(C[NH+]3CCC(C)CC3)n1C)CC2 ZINC000096116139 569383680 /nfs/dbraw/zinc/38/36/80/569383680.db2.gz MFWOEXLARGYDJG-UHFFFAOYSA-N 2 2 441.572 2.898 50 0 IFAALP COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(O)c(C[NH+]3CCC(C)CC3)n1C)CC2 ZINC000096116139 569383682 /nfs/dbraw/zinc/38/36/82/569383682.db2.gz MFWOEXLARGYDJG-UHFFFAOYSA-N 2 2 441.572 2.898 50 0 IFAALP Cc1[nH+]c2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc2n1CCC[NH+](C)C ZINC000096224009 569387341 /nfs/dbraw/zinc/38/73/41/569387341.db2.gz QHOXZWGFLCNWDI-QFIPXVFZSA-N 2 2 432.532 2.705 50 0 IFAALP C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000057530612 569439266 /nfs/dbraw/zinc/43/92/66/569439266.db2.gz YMIARIYMSZAXIZ-CDNPAEQRSA-N 2 2 431.540 2.611 50 0 IFAALP O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058133407 569448368 /nfs/dbraw/zinc/44/83/68/569448368.db2.gz KVJOQRSIHOLMIZ-NRFANRHFSA-N 2 2 432.996 2.584 50 0 IFAALP CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000039461627 569481604 /nfs/dbraw/zinc/48/16/04/569481604.db2.gz OEOJWRQLJCASMH-XMMPIXPASA-N 2 2 434.584 2.598 50 0 IFAALP CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000039461627 569481605 /nfs/dbraw/zinc/48/16/05/569481605.db2.gz OEOJWRQLJCASMH-XMMPIXPASA-N 2 2 434.584 2.598 50 0 IFAALP COc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCC[NH+]4CCCCC4)o3)CC2)c1 ZINC000034684835 569587573 /nfs/dbraw/zinc/58/75/73/569587573.db2.gz GXMLTPMKHMOHIX-UHFFFAOYSA-N 2 2 426.561 2.826 50 0 IFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)CC1 ZINC000020453756 519670206 /nfs/dbraw/zinc/67/02/06/519670206.db2.gz OBXHTDVNGCVLDW-DEOSSOPVSA-N 2 2 429.584 2.753 50 0 IFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)CC1 ZINC000020453756 519670208 /nfs/dbraw/zinc/67/02/08/519670208.db2.gz OBXHTDVNGCVLDW-DEOSSOPVSA-N 2 2 429.584 2.753 50 0 IFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)CC1 ZINC000020453756 519670210 /nfs/dbraw/zinc/67/02/10/519670210.db2.gz OBXHTDVNGCVLDW-DEOSSOPVSA-N 2 2 429.584 2.753 50 0 IFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)CC1 ZINC000020453756 519670212 /nfs/dbraw/zinc/67/02/12/519670212.db2.gz OBXHTDVNGCVLDW-DEOSSOPVSA-N 2 2 429.584 2.753 50 0 IFAALP CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012466993 521484149 /nfs/dbraw/zinc/48/41/49/521484149.db2.gz IGIAOOGFSIDIQN-FQEVSTJZSA-N 2 2 444.620 2.543 50 0 IFAALP CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012466993 521484159 /nfs/dbraw/zinc/48/41/59/521484159.db2.gz IGIAOOGFSIDIQN-FQEVSTJZSA-N 2 2 444.620 2.543 50 0 IFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2OC)CC1 ZINC000020907580 521685164 /nfs/dbraw/zinc/68/51/64/521685164.db2.gz BEZLZIHSFXXBJU-HSZRJFAPSA-N 2 2 427.589 2.671 50 0 IFAALP COc1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020999277 522381390 /nfs/dbraw/zinc/38/13/90/522381390.db2.gz AWPVZIKVMVDDLP-IBGZPJMESA-N 2 2 426.001 2.796 50 0 IFAALP COc1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020999277 522381413 /nfs/dbraw/zinc/38/14/13/522381413.db2.gz AWPVZIKVMVDDLP-IBGZPJMESA-N 2 2 426.001 2.796 50 0 IFAALP COc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020999277 522381423 /nfs/dbraw/zinc/38/14/23/522381423.db2.gz AWPVZIKVMVDDLP-IBGZPJMESA-N 2 2 426.001 2.796 50 0 IFAALP COc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020999277 522381431 /nfs/dbraw/zinc/38/14/31/522381431.db2.gz AWPVZIKVMVDDLP-IBGZPJMESA-N 2 2 426.001 2.796 50 0 IFAALP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012091995 522464300 /nfs/dbraw/zinc/46/43/00/522464300.db2.gz ZHBNVPYDFRFDCD-SFHVURJKSA-N 2 2 435.590 2.885 50 0 IFAALP CC[C@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000012897556 522977890 /nfs/dbraw/zinc/97/78/90/522977890.db2.gz RYOFMDZERJLQMB-OAQYLSRUSA-N 2 2 444.649 2.775 50 0 IFAALP COc1ccc(C[N@H+](C)Cc2nonc2C)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012439841 524008564 /nfs/dbraw/zinc/00/85/64/524008564.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[N@@H+](C)Cc2nonc2C)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012439841 524008568 /nfs/dbraw/zinc/00/85/68/524008568.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nonc2C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012439841 524008569 /nfs/dbraw/zinc/00/85/69/524008569.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccc(C[NH+](C)Cc2nonc2C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012439841 524008572 /nfs/dbraw/zinc/00/85/72/524008572.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 2 2 440.544 2.890 50 0 IFAALP COc1ccccc1-n1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000020783221 524303382 /nfs/dbraw/zinc/30/33/82/524303382.db2.gz BNZBUOGBGBFWCP-QHCPKHFHSA-N 2 2 441.620 2.622 50 0 IFAALP COc1ccccc1-n1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000020783221 524303392 /nfs/dbraw/zinc/30/33/92/524303392.db2.gz BNZBUOGBGBFWCP-QHCPKHFHSA-N 2 2 441.620 2.622 50 0 IFAALP COc1ccccc1-n1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000020783221 524303397 /nfs/dbraw/zinc/30/33/97/524303397.db2.gz BNZBUOGBGBFWCP-QHCPKHFHSA-N 2 2 441.620 2.622 50 0 IFAALP COc1ccccc1-n1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000020783221 524303404 /nfs/dbraw/zinc/30/34/04/524303404.db2.gz BNZBUOGBGBFWCP-QHCPKHFHSA-N 2 2 441.620 2.622 50 0 IFAALP Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000012836805 524460947 /nfs/dbraw/zinc/46/09/47/524460947.db2.gz UMEUWCNCOFWTKH-QFIPXVFZSA-N 2 2 426.605 2.600 50 0 IFAALP Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000012836805 524460956 /nfs/dbraw/zinc/46/09/56/524460956.db2.gz UMEUWCNCOFWTKH-QFIPXVFZSA-N 2 2 426.605 2.600 50 0 IFAALP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012619219 525137807 /nfs/dbraw/zinc/13/78/07/525137807.db2.gz YMIARIYMSZAXIZ-TZYHBYERSA-N 2 2 431.540 2.611 50 0 IFAALP O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000012433181 526340150 /nfs/dbraw/zinc/34/01/50/526340150.db2.gz VZDFCJZUDDRTDF-KRWDZBQOSA-N 2 2 429.565 2.589 50 0 IFAALP c1cc2c(c(C[N@H+]3CCC[C@@H](N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601143 526437923 /nfs/dbraw/zinc/43/79/23/526437923.db2.gz AAPAEUQGIOSHDO-OAQYLSRUSA-N 2 2 437.540 2.926 50 0 IFAALP c1cc2c(c(C[N@@H+]3CCC[C@@H](N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601143 526437928 /nfs/dbraw/zinc/43/79/28/526437928.db2.gz AAPAEUQGIOSHDO-OAQYLSRUSA-N 2 2 437.540 2.926 50 0 IFAALP O=C1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000020458083 527019968 /nfs/dbraw/zinc/01/99/68/527019968.db2.gz AMGBDWDUFPVZLA-OAQYLSRUSA-N 2 2 444.938 2.913 50 0 IFAALP CCCn1cc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c(C)n1 ZINC000011821760 556362802 /nfs/dbraw/zinc/36/28/02/556362802.db2.gz YXXAUDFSVMGEFC-UHFFFAOYSA-N 2 2 438.620 2.989 50 0 IFAALP COc1cc2[nH+]c(N(C)C)c(CN(CC[NH+](C)C)C(=O)C(C)C)cc2c(OC)c1OC ZINC000011971539 556382552 /nfs/dbraw/zinc/38/25/52/556382552.db2.gz DJZMFYRENVDTFL-UHFFFAOYSA-N 2 2 432.565 2.873 50 0 IFAALP CCOC(=O)N1CCC([N@@H+]2CCOc3ccc(C[NH+]4CCC[C@H]4C(=O)OC)cc3C2)CC1 ZINC000055091075 556734432 /nfs/dbraw/zinc/73/44/32/556734432.db2.gz CMXAVRLJTREIDB-NRFANRHFSA-N 2 2 445.560 2.639 50 0 IFAALP CCOC(=O)N1CCC([N@H+]2CCOc3ccc(C[NH+]4CCC[C@H]4C(=O)OC)cc3C2)CC1 ZINC000055091075 556734433 /nfs/dbraw/zinc/73/44/33/556734433.db2.gz CMXAVRLJTREIDB-NRFANRHFSA-N 2 2 445.560 2.639 50 0 IFAALP CCOC(=O)N1CCC([NH+]2CCOc3ccc(C[N@@H+]4CCC[C@H]4C(=O)OC)cc3C2)CC1 ZINC000055091075 556734435 /nfs/dbraw/zinc/73/44/35/556734435.db2.gz CMXAVRLJTREIDB-NRFANRHFSA-N 2 2 445.560 2.639 50 0 IFAALP CCOC(=O)N1CCC([NH+]2CCOc3ccc(C[N@H+]4CCC[C@H]4C(=O)OC)cc3C2)CC1 ZINC000055091075 556734437 /nfs/dbraw/zinc/73/44/37/556734437.db2.gz CMXAVRLJTREIDB-NRFANRHFSA-N 2 2 445.560 2.639 50 0 IFAALP Cc1[nH+]c2ccccn2c1CN1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019369090 556747155 /nfs/dbraw/zinc/74/71/55/556747155.db2.gz YXOAOMNSJQMIOX-NRFANRHFSA-N 2 2 428.964 2.991 50 0 IFAALP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000062581715 556837851 /nfs/dbraw/zinc/83/78/51/556837851.db2.gz RZSOWJKLDOUWFP-QHCPKHFHSA-N 3 2 449.039 2.637 50 0 IFAALP O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000062581715 556837855 /nfs/dbraw/zinc/83/78/55/556837855.db2.gz RZSOWJKLDOUWFP-QHCPKHFHSA-N 2 2 449.039 2.637 50 0 IFAALP O=C(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019648026 556841034 /nfs/dbraw/zinc/84/10/34/556841034.db2.gz ADAKNPVXJKBRJF-UHFFFAOYSA-N 2 2 448.611 2.846 50 0 IFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000067622279 556844884 /nfs/dbraw/zinc/84/48/84/556844884.db2.gz VPPHAQIDWRZUON-UHFFFAOYSA-N 2 2 430.556 2.652 50 0 IFAALP COc1ccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)cc1OC ZINC000072446669 556973521 /nfs/dbraw/zinc/97/35/21/556973521.db2.gz HXRIVSIKPZYRJC-UHFFFAOYSA-N 2 2 436.516 2.567 50 0 IFAALP O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255032 557005913 /nfs/dbraw/zinc/00/59/13/557005913.db2.gz BDVDLZAGTYETFJ-HSZRJFAPSA-N 2 2 444.595 2.744 50 0 IFAALP O=C(NCCC[NH+]1CCOCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000023366535 557088033 /nfs/dbraw/zinc/08/80/33/557088033.db2.gz JBBDKLLUYYQUPM-UHFFFAOYSA-N 2 2 438.572 2.577 50 0 IFAALP O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000084367728 557292978 /nfs/dbraw/zinc/29/29/78/557292978.db2.gz JXOCFVKRDRTFND-UHFFFAOYSA-N 2 2 449.039 2.609 50 0 IFAALP c1ccc(N2CC[NH+](Cc3ccncc3C[NH+]3CCN(c4ccccn4)CC3)CC2)nc1 ZINC000242178850 557847293 /nfs/dbraw/zinc/84/72/93/557847293.db2.gz XBKUVPCCKHYNDN-UHFFFAOYSA-N 2 2 429.572 2.516 50 0 IFAALP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000299757045 568755454 /nfs/dbraw/zinc/75/54/54/568755454.db2.gz HVHJYSFFKZLCPE-KDOFPFPSSA-N 2 2 439.988 2.626 50 0 IFAALP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000299757045 568755456 /nfs/dbraw/zinc/75/54/56/568755456.db2.gz HVHJYSFFKZLCPE-KDOFPFPSSA-N 2 2 439.988 2.626 50 0 IFAALP O=C1CO[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299775423 568756781 /nfs/dbraw/zinc/75/67/81/568756781.db2.gz JIWMVWQDWWMPQS-GOSISDBHSA-N 2 2 426.483 2.862 50 0 IFAALP C[NH+]1CCN(c2nnc(-n3cccc3C[NH+]3CCN(c4ccc(F)cc4)CC3)s2)CC1 ZINC000015728189 568813142 /nfs/dbraw/zinc/81/31/42/568813142.db2.gz BOQQNFBSOPHGJI-UHFFFAOYSA-N 2 2 441.580 2.542 50 0 IFAALP COc1ccccc1-n1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000104630641 568837562 /nfs/dbraw/zinc/83/75/62/568837562.db2.gz BNZBUOGBGBFWCP-HSZRJFAPSA-N 2 2 441.620 2.622 50 0 IFAALP COc1ccccc1-n1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000104630641 568837563 /nfs/dbraw/zinc/83/75/63/568837563.db2.gz BNZBUOGBGBFWCP-HSZRJFAPSA-N 2 2 441.620 2.622 50 0 IFAALP COc1ccccc1-n1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000104630641 568837564 /nfs/dbraw/zinc/83/75/64/568837564.db2.gz BNZBUOGBGBFWCP-HSZRJFAPSA-N 2 2 441.620 2.622 50 0 IFAALP COc1ccccc1-n1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000104630641 568837565 /nfs/dbraw/zinc/83/75/65/568837565.db2.gz BNZBUOGBGBFWCP-HSZRJFAPSA-N 2 2 441.620 2.622 50 0 IFAALP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735396 568886775 /nfs/dbraw/zinc/88/67/75/568886775.db2.gz WHNLKQQFOAPZBF-WOJBJXKFSA-N 2 2 442.608 2.976 50 0 IFAALP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000229735396 568886777 /nfs/dbraw/zinc/88/67/77/568886777.db2.gz WHNLKQQFOAPZBF-WOJBJXKFSA-N 2 2 442.608 2.976 50 0 IFAALP O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036255037 568985031 /nfs/dbraw/zinc/98/50/31/568985031.db2.gz YENBAAVCRADHQO-HSZRJFAPSA-N 2 2 444.595 2.744 50 0 IFAALP C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000170591187 569140929 /nfs/dbraw/zinc/14/09/29/569140929.db2.gz JDNYXYVHOPMXQD-LJQANCHMSA-N 2 2 440.563 2.901 50 0 IFAALP CC[NH+](CC)[C@H](CNC(=O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1)c1ccco1 ZINC000089967785 569169268 /nfs/dbraw/zinc/16/92/68/569169268.db2.gz ZPMPRVIVAKMKEW-LJQANCHMSA-N 2 2 432.590 2.735 50 0 IFAALP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977317 569169367 /nfs/dbraw/zinc/16/93/67/569169367.db2.gz WJGCXLAAYCGWTC-MRXNPFEDSA-N 2 2 437.491 2.558 50 0 IFAALP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977317 569169368 /nfs/dbraw/zinc/16/93/68/569169368.db2.gz WJGCXLAAYCGWTC-MRXNPFEDSA-N 2 2 437.491 2.558 50 0 IFAALP O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079484666 569330978 /nfs/dbraw/zinc/33/09/78/569330978.db2.gz JPZXCPIVQBKKDC-UHFFFAOYSA-N 2 2 439.556 2.739 50 0 IFAALP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095477422 569373259 /nfs/dbraw/zinc/37/32/59/569373259.db2.gz QMQROJKJKXFJNV-DHZHZOJOSA-N 2 2 436.600 2.908 50 0 IFAALP COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1C[N@H+](Cc1cccn1C)CC2 ZINC000096281843 569390178 /nfs/dbraw/zinc/39/01/78/569390178.db2.gz OTTYACMBVMEEFU-UHFFFAOYSA-N 2 2 448.571 2.926 50 0 IFAALP COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1C[N@@H+](Cc1cccn1C)CC2 ZINC000096281843 569390179 /nfs/dbraw/zinc/39/01/79/569390179.db2.gz OTTYACMBVMEEFU-UHFFFAOYSA-N 2 2 448.571 2.926 50 0 IFAALP C[N@H+](CCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)Cc1ccccc1 ZINC000003046188 569438702 /nfs/dbraw/zinc/43/87/02/569438702.db2.gz ICQQRPNXZZLVJF-HSZRJFAPSA-N 2 2 431.540 2.652 50 0 IFAALP C[N@@H+](CCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)Cc1ccccc1 ZINC000003046188 569438703 /nfs/dbraw/zinc/43/87/03/569438703.db2.gz ICQQRPNXZZLVJF-HSZRJFAPSA-N 2 2 431.540 2.652 50 0 IFAALP