smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC001246233549 1039285659 /nfs/dbraw/zinc/28/56/59/1039285659.db2.gz DEWCJBGBUUZVOJ-QFIPXVFZSA-N 2 3 370.585 2.836 20 0 FFADHP Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246370104 1039326191 /nfs/dbraw/zinc/32/61/91/1039326191.db2.gz XFUWZGLDRFGCMU-KRWDZBQOSA-N 2 3 365.974 2.989 20 0 FFADHP COc1ccc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246379303 1039327646 /nfs/dbraw/zinc/32/76/46/1039327646.db2.gz XIXIVILNODUSBA-IBGZPJMESA-N 2 3 357.542 2.872 20 0 FFADHP CN1CCC[C@H]1CC[N@H+](C)[C@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399957 511188002 /nfs/dbraw/zinc/18/80/02/511188002.db2.gz CXRSEXMNEWQTMX-HBMCJLEFSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@H]1CC[N@@H+](C)[C@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399957 511188005 /nfs/dbraw/zinc/18/80/05/511188005.db2.gz CXRSEXMNEWQTMX-HBMCJLEFSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@H]1CC[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000362399957 511188011 /nfs/dbraw/zinc/18/80/11/511188011.db2.gz CXRSEXMNEWQTMX-HBMCJLEFSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@H]1CC[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000362399957 511188013 /nfs/dbraw/zinc/18/80/13/511188013.db2.gz CXRSEXMNEWQTMX-HBMCJLEFSA-N 2 3 350.595 2.741 20 0 FFADHP CCOC(=O)C1([C@H](C)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096075 514039185 /nfs/dbraw/zinc/03/91/85/514039185.db2.gz NZDLDGBRPGTWBT-PKOBYXMFSA-N 2 3 365.562 2.695 20 0 FFADHP CCOC(=O)C1([C@H](C)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096075 514039190 /nfs/dbraw/zinc/03/91/90/514039190.db2.gz NZDLDGBRPGTWBT-PKOBYXMFSA-N 2 3 365.562 2.695 20 0 FFADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137890 514462558 /nfs/dbraw/zinc/46/25/58/514462558.db2.gz UJMOZHQTTJJJBY-TZIWHRDSSA-N 2 3 358.574 2.880 20 0 FFADHP C[C@@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171767166 1011461681 /nfs/dbraw/zinc/46/16/81/1011461681.db2.gz KYUIDLCBQHNGDK-OFNKIYASSA-N 2 3 370.585 2.609 20 0 FFADHP C[C@@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171767166 1011461686 /nfs/dbraw/zinc/46/16/86/1011461686.db2.gz KYUIDLCBQHNGDK-OFNKIYASSA-N 2 3 370.585 2.609 20 0 FFADHP CC[NH+](CC)C1CCC(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])CC1 ZINC001173108185 1012254405 /nfs/dbraw/zinc/25/44/05/1012254405.db2.gz FLTJHDRTQVSVFK-HIEASXQVSA-N 2 3 368.566 2.566 20 0 FFADHP CC[NH+](CC)CCN1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286065 1037318664 /nfs/dbraw/zinc/31/86/64/1037318664.db2.gz DEZNYXZMOWJWKO-UHFFFAOYSA-N 2 3 372.601 2.858 20 0 FFADHP CCC[NH+](CCC)CCCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208112738 1038043809 /nfs/dbraw/zinc/04/38/09/1038043809.db2.gz YIQHJHQAQMPMQC-UHFFFAOYSA-N 2 3 352.611 2.848 20 0 FFADHP C(C1CC1)[NH+]1CCN([C@H]2CC[C@H]([NH2+]C3CCN(C4CC4)CC3)CC2)CC1 ZINC001256069430 1038358362 /nfs/dbraw/zinc/35/83/62/1038358362.db2.gz CSWOWRRXLNYJBE-XUTJKUGGSA-N 2 3 360.590 2.542 20 0 FFADHP c1cncc(C[NH+]2CCC(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256680813 1038600623 /nfs/dbraw/zinc/60/06/23/1038600623.db2.gz FFPGQONFTCTNRV-UHFFFAOYSA-N 2 3 372.557 2.527 20 0 FFADHP COC1CCN(C2CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC001256864656 1038639468 /nfs/dbraw/zinc/63/94/68/1038639468.db2.gz MADCRWDLJKQBTE-UHFFFAOYSA-N 2 3 358.530 2.626 20 0 FFADHP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@]2(O)CCCNC2)CC3)cc1 ZINC001246039000 1039212298 /nfs/dbraw/zinc/21/22/98/1039212298.db2.gz VTBHCSWWIBMESF-QHCPKHFHSA-N 2 3 371.569 2.788 20 0 FFADHP COC(=O)c1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)c1 ZINC001246440862 1039355931 /nfs/dbraw/zinc/35/59/31/1039355931.db2.gz GDFYFGACPCRUOX-MVJPYGJCSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)c1 ZINC001246440862 1039355944 /nfs/dbraw/zinc/35/59/44/1039355944.db2.gz GDFYFGACPCRUOX-MVJPYGJCSA-N 2 3 359.514 2.686 20 0 FFADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246616937 1039415992 /nfs/dbraw/zinc/41/59/92/1039415992.db2.gz CXKAGJWCKMXCJD-MBDNFAEBSA-N 2 3 369.553 2.788 20 0 FFADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246616937 1039416006 /nfs/dbraw/zinc/41/60/06/1039416006.db2.gz CXKAGJWCKMXCJD-MBDNFAEBSA-N 2 3 369.553 2.788 20 0 FFADHP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423502570 514154337 /nfs/dbraw/zinc/15/43/37/514154337.db2.gz FEOXJZYLCZFRAV-HMGIHFHHSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423502570 514154344 /nfs/dbraw/zinc/15/43/44/514154344.db2.gz FEOXJZYLCZFRAV-HMGIHFHHSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521255 514159738 /nfs/dbraw/zinc/15/97/38/514159738.db2.gz SKXVOKIOWOUGSD-OZRWQMGGSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423521255 514159740 /nfs/dbraw/zinc/15/97/40/514159740.db2.gz SKXVOKIOWOUGSD-OZRWQMGGSA-N 2 3 370.585 2.703 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772574 /nfs/dbraw/zinc/77/25/74/514772574.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772589 /nfs/dbraw/zinc/77/25/89/514772589.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772603 /nfs/dbraw/zinc/77/26/03/514772603.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772615 /nfs/dbraw/zinc/77/26/15/514772615.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772625 /nfs/dbraw/zinc/77/26/25/514772625.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772633 /nfs/dbraw/zinc/77/26/33/514772633.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772644 /nfs/dbraw/zinc/77/26/44/514772644.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489256645 514772654 /nfs/dbraw/zinc/77/26/54/514772654.db2.gz OTWYOVBKAKGIMN-XSDIEEQYSA-N 2 3 352.611 2.986 20 0 FFADHP C[N@H+](CCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821363 519292548 /nfs/dbraw/zinc/29/25/48/519292548.db2.gz RCROWUCPRGOPBJ-RBUKOAKNSA-N 2 3 361.530 2.536 20 0 FFADHP C[N@@H+](CCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821363 519292559 /nfs/dbraw/zinc/29/25/59/519292559.db2.gz RCROWUCPRGOPBJ-RBUKOAKNSA-N 2 3 361.530 2.536 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158968 1013157788 /nfs/dbraw/zinc/15/77/88/1013157788.db2.gz ZNBVBCOCTLDMDP-QESAQDPVSA-N 2 3 359.558 2.537 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158968 1013157796 /nfs/dbraw/zinc/15/77/96/1013157796.db2.gz ZNBVBCOCTLDMDP-QESAQDPVSA-N 2 3 359.558 2.537 20 0 FFADHP CC(C)C1=NCCc2ccc(CN(CC[NH+](C)C)[C@H]3CCC[NH2+]C3)cc21 ZINC001236934220 1038366107 /nfs/dbraw/zinc/36/61/07/1038366107.db2.gz WFWMVAASPTVYBV-FQEVSTJZSA-N 2 3 356.558 2.803 20 0 FFADHP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C[C@]4(O)CCCNC4)CC3)C2)cc1 ZINC001246040924 1039210516 /nfs/dbraw/zinc/21/05/16/1039210516.db2.gz JYFRPBNHENYWIC-QHCPKHFHSA-N 2 3 371.569 2.788 20 0 FFADHP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@]4(O)CCCNC4)CC3)C2)cc1 ZINC001246040924 1039210524 /nfs/dbraw/zinc/21/05/24/1039210524.db2.gz JYFRPBNHENYWIC-QHCPKHFHSA-N 2 3 371.569 2.788 20 0 FFADHP FC(F)(F)c1ccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)cc1 ZINC001246427435 1039349530 /nfs/dbraw/zinc/34/95/30/1039349530.db2.gz GPTRXAJCOJLXLA-ALXJQNPVSA-N 2 3 367.459 2.958 20 0 FFADHP CCCC[N@H+](C)CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191455739 510667279 /nfs/dbraw/zinc/66/72/79/510667279.db2.gz JIDAVPKPJRMBKB-UHFFFAOYSA-N 2 3 352.611 2.846 20 0 FFADHP CCCC[N@@H+](C)CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191455739 510667286 /nfs/dbraw/zinc/66/72/86/510667286.db2.gz JIDAVPKPJRMBKB-UHFFFAOYSA-N 2 3 352.611 2.846 20 0 FFADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423516070 514157195 /nfs/dbraw/zinc/15/71/95/514157195.db2.gz ANSXMXLRJPJJLN-UGKGYDQZSA-N 2 3 366.553 2.528 20 0 FFADHP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542820295 517763842 /nfs/dbraw/zinc/76/38/42/517763842.db2.gz YPYJXHYWISSWDQ-IFMALSPDSA-N 2 3 358.574 2.514 20 0 FFADHP CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923506712 738293717 /nfs/dbraw/zinc/29/37/17/738293717.db2.gz KOJSYATUWNKKKO-HXUWFJFHSA-N 2 3 350.595 2.504 20 0 FFADHP C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000163937209 994622133 /nfs/dbraw/zinc/62/21/33/994622133.db2.gz COXZPMWVCRPXDB-NRFANRHFSA-N 2 3 372.601 2.904 20 0 FFADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001172112392 1011644620 /nfs/dbraw/zinc/64/46/20/1011644620.db2.gz VPHMVCSJTQMXSS-DTUBNOLGSA-N 2 3 374.617 2.930 20 0 FFADHP C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000925656347 1017811649 /nfs/dbraw/zinc/81/16/49/1017811649.db2.gz YYIUUURXJFKPKW-QGZVFWFLSA-N 2 3 356.514 2.934 20 0 FFADHP C[N@H+](Cc1ccccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CCCCC1 ZINC001219023430 1033473616 /nfs/dbraw/zinc/47/36/16/1033473616.db2.gz CATUQYJLDCTVIK-FQEVSTJZSA-N 2 3 358.530 2.717 20 0 FFADHP C[N@@H+](Cc1ccccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CCCCC1 ZINC001219023430 1033473625 /nfs/dbraw/zinc/47/36/25/1033473625.db2.gz CATUQYJLDCTVIK-FQEVSTJZSA-N 2 3 358.530 2.717 20 0 FFADHP C[C@@H]1C[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])CCN1Cc1ccccc1 ZINC001256529987 1038547088 /nfs/dbraw/zinc/54/70/88/1038547088.db2.gz HLJQQZMVPRMPJJ-UKRRQHHQSA-N 2 3 365.572 2.924 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989231 1055477642 /nfs/dbraw/zinc/47/76/42/1055477642.db2.gz HPLCGWNVHVYCHC-HMXCVIKNSA-N 2 3 371.573 2.885 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989231 1055477649 /nfs/dbraw/zinc/47/76/49/1055477649.db2.gz HPLCGWNVHVYCHC-HMXCVIKNSA-N 2 3 371.573 2.885 20 0 FFADHP C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000849067455 1055623089 /nfs/dbraw/zinc/62/30/89/1055623089.db2.gz GDISBICHECHCSV-IBGZPJMESA-N 2 3 371.573 2.887 20 0 FFADHP CN(CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000849100005 1056758832 /nfs/dbraw/zinc/75/88/32/1056758832.db2.gz OYDDMSXEKCLZEV-UHFFFAOYSA-N 2 3 357.546 2.639 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN(CC)CC)CC[NH2+]CC1 ZINC000422842747 513949031 /nfs/dbraw/zinc/94/90/31/513949031.db2.gz ZHNVIUJNRKUKAJ-GBESFXJTSA-N 2 3 367.578 2.798 20 0 FFADHP c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000662327793 975448542 /nfs/dbraw/zinc/44/85/42/975448542.db2.gz VJVOYKVDEHCAHH-UHFFFAOYSA-N 2 3 359.562 2.932 20 0 FFADHP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886538766 1008725101 /nfs/dbraw/zinc/72/51/01/1008725101.db2.gz NOYLWENCYVCZNP-LRSLUSHPSA-N 2 3 359.558 2.986 20 0 FFADHP OC1(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941859 1025232417 /nfs/dbraw/zinc/23/24/17/1025232417.db2.gz YXFGHSANWLRUCM-RTWAWAEBSA-N 2 3 357.542 2.620 20 0 FFADHP OC1(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941859 1025232424 /nfs/dbraw/zinc/23/24/24/1025232424.db2.gz YXFGHSANWLRUCM-RTWAWAEBSA-N 2 3 357.542 2.620 20 0 FFADHP FC1(F)CCNC[C@@]12CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235096218 1037361558 /nfs/dbraw/zinc/36/15/58/1037361558.db2.gz ZJVZLQDMJXOKIV-LJQANCHMSA-N 2 3 360.452 2.565 20 0 FFADHP FC1(F)CCNC[C@@]12CC[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235096218 1037361573 /nfs/dbraw/zinc/36/15/73/1037361573.db2.gz ZJVZLQDMJXOKIV-LJQANCHMSA-N 2 3 360.452 2.565 20 0 FFADHP C[C@H]1C[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])CCN1Cc1ccccc1 ZINC001256529985 1038546636 /nfs/dbraw/zinc/54/66/36/1038546636.db2.gz HLJQQZMVPRMPJJ-DZGCQCFKSA-N 2 3 365.572 2.924 20 0 FFADHP NC(=[NH2+])SCCSC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC001256600594 1038577260 /nfs/dbraw/zinc/57/72/60/1038577260.db2.gz XSRBZOZZEHOTSV-UHFFFAOYSA-N 2 3 351.545 2.535 20 0 FFADHP CC(C)C[NH+]1CCC(N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001258010674 1039110045 /nfs/dbraw/zinc/11/00/45/1039110045.db2.gz CHBKRXROEWAROM-UHFFFAOYSA-N 2 3 351.579 2.931 20 0 FFADHP COc1cccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246382504 1039331148 /nfs/dbraw/zinc/33/11/48/1039331148.db2.gz BKAJXOJXAJBWJZ-ACDBMABISA-N 2 3 357.542 2.870 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001246618729 1039418482 /nfs/dbraw/zinc/41/84/82/1039418482.db2.gz KGDAEKFXFZZFOF-SFTDATJTSA-N 2 3 369.553 2.932 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001246618729 1039418490 /nfs/dbraw/zinc/41/84/90/1039418490.db2.gz KGDAEKFXFZZFOF-SFTDATJTSA-N 2 3 369.553 2.932 20 0 FFADHP OC1(C[NH2+]C2CCN(CC3CCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254053522 1040554920 /nfs/dbraw/zinc/55/49/20/1040554920.db2.gz QUSXCCWNZPLGIQ-UHFFFAOYSA-N 2 3 371.569 2.868 20 0 FFADHP CN(C)CC[N@@H+]1CCCC2(CC[NH+](CC3(CN(C)C)CCCC3)CC2)C1 ZINC001279493021 1043180066 /nfs/dbraw/zinc/18/00/66/1043180066.db2.gz VDUAQXPRWAKEEZ-UHFFFAOYSA-N 2 3 364.622 2.848 20 0 FFADHP CN(C)CC[N@H+]1CCCC2(CC[NH+](CC3(CN(C)C)CCCC3)CC2)C1 ZINC001279493021 1043180070 /nfs/dbraw/zinc/18/00/70/1043180070.db2.gz VDUAQXPRWAKEEZ-UHFFFAOYSA-N 2 3 364.622 2.848 20 0 FFADHP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000422818234 513942418 /nfs/dbraw/zinc/94/24/18/513942418.db2.gz FSHPEHVANKQCJK-QGZVFWFLSA-N 2 3 365.562 2.695 20 0 FFADHP CCOC(=O)C1([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000422818234 513942419 /nfs/dbraw/zinc/94/24/19/513942419.db2.gz FSHPEHVANKQCJK-QGZVFWFLSA-N 2 3 365.562 2.695 20 0 FFADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414784432 514291538 /nfs/dbraw/zinc/29/15/38/514291538.db2.gz RFWPSEXWXKIJHT-UXHICEINSA-N 2 3 356.558 2.650 20 0 FFADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414784432 514291545 /nfs/dbraw/zinc/29/15/45/514291545.db2.gz RFWPSEXWXKIJHT-UXHICEINSA-N 2 3 356.558 2.650 20 0 FFADHP c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647784377 1012582024 /nfs/dbraw/zinc/58/20/24/1012582024.db2.gz SEKCMTZEQVCQJB-DNVJHFABSA-N 2 3 370.585 2.562 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC001222573545 1033053367 /nfs/dbraw/zinc/05/33/67/1033053367.db2.gz ASBXJHMDGLKJFA-NRFANRHFSA-N 2 3 357.542 2.789 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001222573545 1033053376 /nfs/dbraw/zinc/05/33/76/1033053376.db2.gz ASBXJHMDGLKJFA-NRFANRHFSA-N 2 3 357.542 2.789 20 0 FFADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678217 1038121801 /nfs/dbraw/zinc/12/18/01/1038121801.db2.gz WVSFOWGMQPRLCC-GALMUBKZSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678217 1038121812 /nfs/dbraw/zinc/12/18/12/1038121812.db2.gz WVSFOWGMQPRLCC-GALMUBKZSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678217 1038121821 /nfs/dbraw/zinc/12/18/21/1038121821.db2.gz WVSFOWGMQPRLCC-GALMUBKZSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678217 1038121825 /nfs/dbraw/zinc/12/18/25/1038121825.db2.gz WVSFOWGMQPRLCC-GALMUBKZSA-N 2 3 361.574 2.682 20 0 FFADHP C[C@@H]1C[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])CCN1Cc1ccccc1 ZINC001256529986 1038546009 /nfs/dbraw/zinc/54/60/09/1038546009.db2.gz HLJQQZMVPRMPJJ-HIFRSBDPSA-N 2 3 365.572 2.924 20 0 FFADHP c1ccc(CN2CCC(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)nc1 ZINC001256853180 1038635226 /nfs/dbraw/zinc/63/52/26/1038635226.db2.gz RFGZPSZEVKOOHC-UHFFFAOYSA-N 2 3 365.525 2.947 20 0 FFADHP CN1CCN(Cc2ccccc2C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246197963 1039275815 /nfs/dbraw/zinc/27/58/15/1039275815.db2.gz RTSSXAILCSSKQL-UHFFFAOYSA-N 2 3 370.585 2.836 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001246238529 1039285511 /nfs/dbraw/zinc/28/55/11/1039285511.db2.gz WDQYWFRKMASAJW-GOTSBHOMSA-N 2 3 370.585 2.836 20 0 FFADHP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246422511 1039347918 /nfs/dbraw/zinc/34/79/18/1039347918.db2.gz LUFFJIONDXAZBB-HNNXBMFYSA-N 2 3 371.472 2.721 20 0 FFADHP c1ccc(C[C@@H]2C[C@H]([NH2+]CC3(c4cccnc4)CC[NH2+]CC3)CCN2)cc1 ZINC001246422456 1039348184 /nfs/dbraw/zinc/34/81/84/1039348184.db2.gz IYSBTRWGAXQXSQ-FGZHOGPDSA-N 2 3 364.537 2.656 20 0 FFADHP FC(F)(F)c1cccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246432565 1039352980 /nfs/dbraw/zinc/35/29/80/1039352980.db2.gz BZZOEYODPKLDCT-ALXJQNPVSA-N 2 3 367.459 2.958 20 0 FFADHP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCC(OC4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC001246667232 1039432391 /nfs/dbraw/zinc/43/23/91/1039432391.db2.gz YQYADGKBVDPHEA-UXHICEINSA-N 2 3 357.542 2.583 20 0 FFADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671655 1039433965 /nfs/dbraw/zinc/43/39/65/1039433965.db2.gz IFQDNTFJEYFQAA-WYZYGFAWSA-N 2 3 369.553 2.541 20 0 FFADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671655 1039433967 /nfs/dbraw/zinc/43/39/67/1039433967.db2.gz IFQDNTFJEYFQAA-WYZYGFAWSA-N 2 3 369.553 2.541 20 0 FFADHP OC1(C[NH2+]CCc2c[nH]c3ccncc23)CC[NH+](Cc2ccccc2)CC1 ZINC001254053304 1040553495 /nfs/dbraw/zinc/55/34/95/1040553495.db2.gz LGPMOJBFPXJDGH-UHFFFAOYSA-N 2 3 364.493 2.722 20 0 FFADHP C[NH+](C)CC(C)(C)CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279590678 1043305248 /nfs/dbraw/zinc/30/52/48/1043305248.db2.gz HGKMMNRKPCWOEB-UHFFFAOYSA-N 2 3 361.578 2.649 20 0 FFADHP C[NH+](C)CC(C)(C)CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279590678 1043305253 /nfs/dbraw/zinc/30/52/53/1043305253.db2.gz HGKMMNRKPCWOEB-UHFFFAOYSA-N 2 3 361.578 2.649 20 0 FFADHP C[C@@H]1CCCCN1CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849062560 1055616736 /nfs/dbraw/zinc/61/67/36/1055616736.db2.gz PDNVJPGQJPVAGQ-GOSISDBHSA-N 2 3 357.546 2.639 20 0 FFADHP CC(C)CC[NH+]1CCC(NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000924871695 738457321 /nfs/dbraw/zinc/45/73/21/738457321.db2.gz GGNBNKVXHDQONP-UHFFFAOYSA-N 2 3 350.595 2.645 20 0 FFADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240610 967808964 /nfs/dbraw/zinc/80/89/64/967808964.db2.gz ORQOWNJFXGILER-INIZCTEOSA-N 2 3 353.514 2.807 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742356 990368098 /nfs/dbraw/zinc/36/80/98/990368098.db2.gz NKEPYHZRJRBREU-PZJWPPBQSA-N 2 3 358.574 2.513 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC[C@@H]32)cc1 ZINC000903755770 1016178445 /nfs/dbraw/zinc/17/84/45/1016178445.db2.gz LKPNWDFGBBXKEQ-WZYRSQIMSA-N 2 3 369.553 2.742 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC[C@@H]32)cc1 ZINC000903755770 1016178452 /nfs/dbraw/zinc/17/84/52/1016178452.db2.gz LKPNWDFGBBXKEQ-WZYRSQIMSA-N 2 3 369.553 2.742 20 0 FFADHP [NH3+]C1(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000925703357 1017820251 /nfs/dbraw/zinc/82/02/51/1017820251.db2.gz DIUMXUMDYRXXFR-VXKWHMMOSA-N 2 3 370.585 2.738 20 0 FFADHP CCN1CCN([C@@H](C)C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902335391 1020109054 /nfs/dbraw/zinc/10/90/54/1020109054.db2.gz AUNGCGRLQYCIOJ-JXFKEZNVSA-N 2 3 368.516 2.751 20 0 FFADHP CN1CCN(CC[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1(C)C ZINC000902381206 1020150099 /nfs/dbraw/zinc/15/00/99/1020150099.db2.gz DRABNTWMFMJFFR-LJQANCHMSA-N 2 3 368.516 2.751 20 0 FFADHP CN(C)C1(CNc2cccc3c2C2(C=C3)CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001164212196 1029205993 /nfs/dbraw/zinc/20/59/93/1029205993.db2.gz ZRSSDQJPBRBHIH-UHFFFAOYSA-N 2 3 354.542 2.773 20 0 FFADHP Cc1cccc(CN(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726652 1038221338 /nfs/dbraw/zinc/22/13/38/1038221338.db2.gz MFMANPHLALVBAO-MXVIHJGJSA-N 2 3 367.541 2.609 20 0 FFADHP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@]2(O)CCCNC2)CC3)cc1 ZINC001246038997 1039211474 /nfs/dbraw/zinc/21/14/74/1039211474.db2.gz VTBHCSWWIBMESF-HSZRJFAPSA-N 2 3 371.569 2.788 20 0 FFADHP Brc1ccc(C2(N[C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[NH2+]CC2)cc1 ZINC001246185429 1039269016 /nfs/dbraw/zinc/26/90/16/1039269016.db2.gz UWHCXBNPQINNJX-HALDLXJZSA-N 2 3 364.331 2.615 20 0 FFADHP COc1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246417576 1039346420 /nfs/dbraw/zinc/34/64/20/1039346420.db2.gz ARKWLZVYSJXNRP-PMOLBWCYSA-N 2 3 357.542 2.870 20 0 FFADHP CN(c1ccccc1CN1C[C@H]2CCC[C@@]2(C[NH3+])C1)C1CC[NH+](C)CC1 ZINC001549088462 1073639479 /nfs/dbraw/zinc/63/94/79/1073639479.db2.gz ZBGFHQBTYCHSLW-DENIHFKCSA-N 2 3 356.558 2.778 20 0 FFADHP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@H]3CN)cc2)C[C@H]1C ZINC000423019871 514009625 /nfs/dbraw/zinc/00/96/25/514009625.db2.gz XPZLCTGKCGUYII-GXKRZCMTSA-N 2 3 359.558 2.913 20 0 FFADHP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@H]3CN)cc2)C[C@H]1C ZINC000423019871 514009634 /nfs/dbraw/zinc/00/96/34/514009634.db2.gz XPZLCTGKCGUYII-GXKRZCMTSA-N 2 3 359.558 2.913 20 0 FFADHP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@H]3CN)cc2)C[C@H]1C ZINC000423019872 514009782 /nfs/dbraw/zinc/00/97/82/514009782.db2.gz XPZLCTGKCGUYII-HROGELHOSA-N 2 3 359.558 2.913 20 0 FFADHP CN(CCCN(C)CC[C@@H]1CCCC[N@@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000489424181 514839880 /nfs/dbraw/zinc/83/98/80/514839880.db2.gz PTZCHJSEJWQOES-SFTDATJTSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCCN(C)CC[C@@H]1CCCC[N@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000489424181 514839893 /nfs/dbraw/zinc/83/98/93/514839893.db2.gz PTZCHJSEJWQOES-SFTDATJTSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[N@H+](C)CC[C@@H]1CCCCN1C)CC[C@@H]1CCCC[NH+]1C ZINC000489424181 514839908 /nfs/dbraw/zinc/83/99/08/514839908.db2.gz PTZCHJSEJWQOES-SFTDATJTSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[N@@H+](C)CC[C@@H]1CCCCN1C)CC[C@@H]1CCCC[NH+]1C ZINC000489424181 514839919 /nfs/dbraw/zinc/83/99/19/514839919.db2.gz PTZCHJSEJWQOES-SFTDATJTSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[NH+](C)CC[C@@H]1CCCCN1C)CC[C@@H]1CCCC[N@@H+]1C ZINC000489424181 514839926 /nfs/dbraw/zinc/83/99/26/514839926.db2.gz PTZCHJSEJWQOES-SFTDATJTSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[NH+](C)CC[C@@H]1CCCCN1C)CC[C@@H]1CCCC[N@H+]1C ZINC000489424181 514839938 /nfs/dbraw/zinc/83/99/38/514839938.db2.gz PTZCHJSEJWQOES-SFTDATJTSA-N 2 3 352.611 2.989 20 0 FFADHP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886524472 1008719847 /nfs/dbraw/zinc/71/98/47/1008719847.db2.gz LCSXFPNTCGROEK-VABKMULXSA-N 2 3 370.585 2.657 20 0 FFADHP C[N@H+]1CCCN(CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886524472 1008719856 /nfs/dbraw/zinc/71/98/56/1008719856.db2.gz LCSXFPNTCGROEK-VABKMULXSA-N 2 3 370.585 2.657 20 0 FFADHP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)C1CCC(N2CCOCC2)CC1 ZINC001256699002 1038607799 /nfs/dbraw/zinc/60/77/99/1038607799.db2.gz IHYHZIKOTVRPFR-UHFFFAOYSA-N 2 3 358.530 2.592 20 0 FFADHP Brc1ccc(C2(N[C@H]3CCC4(C[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246183663 1039268209 /nfs/dbraw/zinc/26/82/09/1039268209.db2.gz HYUSOHUONVYALH-INIZCTEOSA-N 2 3 364.331 2.760 20 0 FFADHP COc1cccc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246374050 1039328374 /nfs/dbraw/zinc/32/83/74/1039328374.db2.gz DYOGNYAOPXNJJD-TZIWHRDSSA-N 2 3 357.542 2.872 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392966 /nfs/dbraw/zinc/39/29/66/1045392966.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392971 /nfs/dbraw/zinc/39/29/71/1045392971.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392977 /nfs/dbraw/zinc/39/29/77/1045392977.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392980 /nfs/dbraw/zinc/39/29/80/1045392980.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392987 /nfs/dbraw/zinc/39/29/87/1045392987.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392992 /nfs/dbraw/zinc/39/29/92/1045392992.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045392997 /nfs/dbraw/zinc/39/29/97/1045392997.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC001320340456 1045393003 /nfs/dbraw/zinc/39/30/03/1045393003.db2.gz LKXFFIHFXKUYOF-NCYKPQTJSA-N 2 3 352.611 2.701 20 0 FFADHP CC(C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000849093538 1055637728 /nfs/dbraw/zinc/63/77/28/1055637728.db2.gz YJBDXOCREYOGON-UHFFFAOYSA-N 2 3 371.573 2.887 20 0 FFADHP CCOCCCN1CC[C@@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)C1 ZINC001578107686 1078439874 /nfs/dbraw/zinc/43/98/74/1078439874.db2.gz HCIBSFYVTQSNRW-CRAIPNDOSA-N 2 3 351.560 2.620 20 0 FFADHP CCN1CCN(c2ccccc2C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000092381254 508066347 /nfs/dbraw/zinc/06/63/47/508066347.db2.gz AKTWWHBTURJLFM-UHFFFAOYSA-N 2 3 358.574 2.992 20 0 FFADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248402302 509297563 /nfs/dbraw/zinc/29/75/63/509297563.db2.gz NBMJXZDUUPNIGQ-YTFSRNRJSA-N 2 3 371.569 2.581 20 0 FFADHP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000268852154 510101811 /nfs/dbraw/zinc/10/18/11/510101811.db2.gz HKYIGGFTVXFGPP-REWPJTCUSA-N 2 3 372.601 2.903 20 0 FFADHP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274977966 512005464 /nfs/dbraw/zinc/00/54/64/512005464.db2.gz YURBIQKNOQSMSN-CTNGQTDRSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@@H](NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977966 512005467 /nfs/dbraw/zinc/00/54/67/512005467.db2.gz YURBIQKNOQSMSN-CTNGQTDRSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@@H](NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274977966 512005471 /nfs/dbraw/zinc/00/54/71/512005471.db2.gz YURBIQKNOQSMSN-CTNGQTDRSA-N 2 3 358.574 2.513 20 0 FFADHP CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415126463 514454999 /nfs/dbraw/zinc/45/49/99/514454999.db2.gz GSFXLUPRFKRWGI-UHFFFAOYSA-N 2 3 358.574 2.832 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844302 1017867704 /nfs/dbraw/zinc/86/77/04/1017867704.db2.gz JLFDKFFXGQNHKS-UNMCSNQZSA-N 2 3 358.574 2.562 20 0 FFADHP c1cc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001222168182 1032797712 /nfs/dbraw/zinc/79/77/12/1032797712.db2.gz WRCYVODIWOPZAT-JOCHJYFZSA-N 2 3 356.558 2.842 20 0 FFADHP OC1(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCN(Cc2ccccc2)CC1 ZINC001246036820 1039212048 /nfs/dbraw/zinc/21/20/48/1039212048.db2.gz ZMWQEZVMPAENJZ-JOCHJYFZSA-N 2 3 371.569 2.868 20 0 FFADHP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CN(C4CC[NH2+]CC4)C2)C3)cc1 ZINC001246217359 1039281941 /nfs/dbraw/zinc/28/19/41/1039281941.db2.gz FMRLBHKBKIYKFP-AGYIDARRSA-N 2 3 368.569 2.598 20 0 FFADHP c1n[nH]cc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001279456734 1043136743 /nfs/dbraw/zinc/13/67/43/1043136743.db2.gz LSTQPTUOMHWQHJ-CALCHBBNSA-N 2 3 350.470 2.630 20 0 FFADHP c1n[nH]cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001279456734 1043136751 /nfs/dbraw/zinc/13/67/51/1043136751.db2.gz LSTQPTUOMHWQHJ-CALCHBBNSA-N 2 3 350.470 2.630 20 0 FFADHP c1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001279456734 1043136756 /nfs/dbraw/zinc/13/67/56/1043136756.db2.gz LSTQPTUOMHWQHJ-CALCHBBNSA-N 2 3 350.470 2.630 20 0 FFADHP c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001279456734 1043136765 /nfs/dbraw/zinc/13/67/65/1043136765.db2.gz LSTQPTUOMHWQHJ-CALCHBBNSA-N 2 3 350.470 2.630 20 0 FFADHP CCCN1CCC([N@H+](C)CCCN(C)C2CC[NH+](CCC)CC2)CC1 ZINC000077285177 508295272 /nfs/dbraw/zinc/29/52/72/508295272.db2.gz OYCUPIOBNUPOEI-UHFFFAOYSA-N 2 3 352.611 2.989 20 0 FFADHP CCCN1CCC([N@@H+](C)CCCN(C)C2CC[NH+](CCC)CC2)CC1 ZINC000077285177 508295276 /nfs/dbraw/zinc/29/52/76/508295276.db2.gz OYCUPIOBNUPOEI-UHFFFAOYSA-N 2 3 352.611 2.989 20 0 FFADHP COCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000414975868 514382813 /nfs/dbraw/zinc/38/28/13/514382813.db2.gz OOWCSQUOXADQNO-PWRODBHTSA-N 2 3 357.542 2.503 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158967 1013158219 /nfs/dbraw/zinc/15/82/19/1013158219.db2.gz ZNBVBCOCTLDMDP-GBAJDQEWSA-N 2 3 359.558 2.537 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158967 1013158224 /nfs/dbraw/zinc/15/82/24/1013158224.db2.gz ZNBVBCOCTLDMDP-GBAJDQEWSA-N 2 3 359.558 2.537 20 0 FFADHP C[NH+]1CCC(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000892617148 969610185 /nfs/dbraw/zinc/61/01/85/969610185.db2.gz SUGUBTHTYYXVEU-UHFFFAOYSA-N 2 3 358.574 2.516 20 0 FFADHP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000643457704 979823043 /nfs/dbraw/zinc/82/30/43/979823043.db2.gz YIUFEBWUVSWRPT-GXRSIYKFSA-N 2 3 357.542 2.645 20 0 FFADHP CN1CCN(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000879594224 1015600706 /nfs/dbraw/zinc/60/07/06/1015600706.db2.gz BRHOTRAOVSODBB-UHFFFAOYSA-N 2 3 370.585 2.884 20 0 FFADHP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)CCN1Cc1ccccc1 ZINC000925845919 1017870037 /nfs/dbraw/zinc/87/00/37/1017870037.db2.gz PVALZJMVJGZIBW-UNMCSNQZSA-N 2 3 358.574 2.705 20 0 FFADHP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235972409 1037869866 /nfs/dbraw/zinc/86/98/66/1037869866.db2.gz HKMCPWGXAZTSLY-XZOQPEGZSA-N 2 3 370.585 2.931 20 0 FFADHP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235972409 1037869879 /nfs/dbraw/zinc/86/98/79/1037869879.db2.gz HKMCPWGXAZTSLY-XZOQPEGZSA-N 2 3 370.585 2.931 20 0 FFADHP [NH3+]C12CC(CN(Cc3ccc(Br)cc3)C3CC[NH2+]CC3)(C1)C2 ZINC001236377404 1038060128 /nfs/dbraw/zinc/06/01/28/1038060128.db2.gz IMLTWNPJKLUOIZ-UHFFFAOYSA-N 2 3 364.331 2.885 20 0 FFADHP [NH3+]C12CC(C[N@H+](Cc3ccc(Br)cc3)C3CCNCC3)(C1)C2 ZINC001236377404 1038060148 /nfs/dbraw/zinc/06/01/48/1038060148.db2.gz IMLTWNPJKLUOIZ-UHFFFAOYSA-N 2 3 364.331 2.885 20 0 FFADHP [NH3+]C12CC(C[N@@H+](Cc3ccc(Br)cc3)C3CCNCC3)(C1)C2 ZINC001236377404 1038060168 /nfs/dbraw/zinc/06/01/68/1038060168.db2.gz IMLTWNPJKLUOIZ-UHFFFAOYSA-N 2 3 364.331 2.885 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001246238531 1039285344 /nfs/dbraw/zinc/28/53/44/1039285344.db2.gz WDQYWFRKMASAJW-XZOQPEGZSA-N 2 3 370.585 2.836 20 0 FFADHP CN(c1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000093089042 250014979 /nfs/dbraw/zinc/01/49/79/250014979.db2.gz QRRRXVXODLZGQA-UHFFFAOYSA-N 2 3 358.574 2.991 20 0 FFADHP CN(c1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000093089042 250014984 /nfs/dbraw/zinc/01/49/84/250014984.db2.gz QRRRXVXODLZGQA-UHFFFAOYSA-N 2 3 358.574 2.991 20 0 FFADHP CC(C)N1CCN(CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000192776791 509639971 /nfs/dbraw/zinc/63/99/71/509639971.db2.gz AKKVZBRJPMRGCD-UHFFFAOYSA-N 2 3 364.622 2.991 20 0 FFADHP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274932820 511991376 /nfs/dbraw/zinc/99/13/76/511991376.db2.gz RFYXSOITPVHIJN-NFBKMPQASA-N 2 3 372.601 2.760 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC[NH2+]CC1 ZINC000423028358 514012670 /nfs/dbraw/zinc/01/26/70/514012670.db2.gz GEPKYCMQFYYDDJ-SQNIBIBYSA-N 2 3 365.562 2.550 20 0 FFADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423516063 514158254 /nfs/dbraw/zinc/15/82/54/514158254.db2.gz ANSXMXLRJPJJLN-DENIHFKCSA-N 2 3 366.553 2.528 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256642 514773154 /nfs/dbraw/zinc/77/31/54/514773154.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256642 514773157 /nfs/dbraw/zinc/77/31/57/514773157.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256642 514773165 /nfs/dbraw/zinc/77/31/65/514773165.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256642 514773177 /nfs/dbraw/zinc/77/31/77/514773177.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256642 514773185 /nfs/dbraw/zinc/77/31/85/514773185.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256642 514773190 /nfs/dbraw/zinc/77/31/90/514773190.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256642 514773196 /nfs/dbraw/zinc/77/31/96/514773196.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256642 514773203 /nfs/dbraw/zinc/77/32/03/514773203.db2.gz OTWYOVBKAKGIMN-FXELSEDVSA-N 2 3 352.611 2.986 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145744 1006530620 /nfs/dbraw/zinc/53/06/20/1006530620.db2.gz CZPLZUBNRHRSNJ-YPAWHYETSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145744 1006530631 /nfs/dbraw/zinc/53/06/31/1006530631.db2.gz CZPLZUBNRHRSNJ-YPAWHYETSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[NH+](C)C2)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145744 1006530640 /nfs/dbraw/zinc/53/06/40/1006530640.db2.gz CZPLZUBNRHRSNJ-YPAWHYETSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[NH+](C)C2)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145744 1006530649 /nfs/dbraw/zinc/53/06/49/1006530649.db2.gz CZPLZUBNRHRSNJ-YPAWHYETSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171767164 1011461588 /nfs/dbraw/zinc/46/15/88/1011461588.db2.gz KYUIDLCBQHNGDK-NFBKMPQASA-N 2 3 370.585 2.609 20 0 FFADHP C[C@@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171767164 1011461598 /nfs/dbraw/zinc/46/15/98/1011461598.db2.gz KYUIDLCBQHNGDK-NFBKMPQASA-N 2 3 370.585 2.609 20 0 FFADHP COc1ccccc1CN(Cc1ccc2n1CC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710158 1038209571 /nfs/dbraw/zinc/20/95/71/1038209571.db2.gz OTCHNCIZMGCBRL-WGSAOQKQSA-N 2 3 368.525 2.872 20 0 FFADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001256564802 1038561452 /nfs/dbraw/zinc/56/14/52/1038561452.db2.gz UBAPZDAYJODJBA-UHFFFAOYSA-N 2 3 351.579 2.978 20 0 FFADHP COc1cccc(CC2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246383027 1039330844 /nfs/dbraw/zinc/33/08/44/1039330844.db2.gz CNBJAXUXIRHZDV-IBGZPJMESA-N 2 3 357.542 2.872 20 0 FFADHP COc1cccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246382507 1039331562 /nfs/dbraw/zinc/33/15/62/1039331562.db2.gz BKAJXOJXAJBWJZ-PMOLBWCYSA-N 2 3 357.542 2.870 20 0 FFADHP COc1ccc(CC2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246386362 1039333260 /nfs/dbraw/zinc/33/32/60/1039333260.db2.gz IPBPZRSOVLAMMX-IBGZPJMESA-N 2 3 357.542 2.872 20 0 FFADHP COC(=O)c1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)c1 ZINC001246440863 1039357734 /nfs/dbraw/zinc/35/77/34/1039357734.db2.gz GDFYFGACPCRUOX-XLNTUCKNSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)c1 ZINC001246440863 1039357742 /nfs/dbraw/zinc/35/77/42/1039357742.db2.gz GDFYFGACPCRUOX-XLNTUCKNSA-N 2 3 359.514 2.686 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513345328 516576888 /nfs/dbraw/zinc/57/68/88/516576888.db2.gz JGNSPZVIUIVIIF-UYAOXDASSA-N 2 3 351.579 2.854 20 0 FFADHP Cc1nc(N2CCC[C@@H]([NH+](C)C)CC2)cc(N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000518287101 516601406 /nfs/dbraw/zinc/60/14/06/516601406.db2.gz DVHSMVOLNFVJBU-RTBURBONSA-N 2 3 374.577 2.626 20 0 FFADHP C[N@H+](CCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821364 519292738 /nfs/dbraw/zinc/29/27/38/519292738.db2.gz RCROWUCPRGOPBJ-RTBURBONSA-N 2 3 361.530 2.536 20 0 FFADHP C[N@@H+](CCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821364 519292747 /nfs/dbraw/zinc/29/27/47/519292747.db2.gz RCROWUCPRGOPBJ-RTBURBONSA-N 2 3 361.530 2.536 20 0 FFADHP CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)ccn1 ZINC000895501573 970685790 /nfs/dbraw/zinc/68/57/90/970685790.db2.gz XQYPTPWNZFNWRP-OAQYLSRUSA-N 2 3 360.546 2.717 20 0 FFADHP CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CC[NH+](C)CC3)C2)ccn1 ZINC000895501573 970685795 /nfs/dbraw/zinc/68/57/95/970685795.db2.gz XQYPTPWNZFNWRP-OAQYLSRUSA-N 2 3 360.546 2.717 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC[C@H]32)cc1 ZINC000903755767 1016177798 /nfs/dbraw/zinc/17/77/98/1016177798.db2.gz LKPNWDFGBBXKEQ-ACESQOTJSA-N 2 3 369.553 2.742 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC[C@H]32)cc1 ZINC000903755767 1016177805 /nfs/dbraw/zinc/17/78/05/1016177805.db2.gz LKPNWDFGBBXKEQ-ACESQOTJSA-N 2 3 369.553 2.742 20 0 FFADHP CCN1CCN([C@H](C)C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902335394 1020109116 /nfs/dbraw/zinc/10/91/16/1020109116.db2.gz AUNGCGRLQYCIOJ-OXQOHEQNSA-N 2 3 368.516 2.751 20 0 FFADHP C[N@H+](Cc1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CCCCC1 ZINC001219024354 1033473670 /nfs/dbraw/zinc/47/36/70/1033473670.db2.gz WWVFYNVNDJBWBI-XMSQKQJNSA-N 2 3 370.541 2.589 20 0 FFADHP C[N@@H+](Cc1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CCCCC1 ZINC001219024354 1033473672 /nfs/dbraw/zinc/47/36/72/1033473672.db2.gz WWVFYNVNDJBWBI-XMSQKQJNSA-N 2 3 370.541 2.589 20 0 FFADHP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246391267 1039334678 /nfs/dbraw/zinc/33/46/78/1039334678.db2.gz VMKXWTLBDFULNL-FVQHAEBGSA-N 2 3 367.459 2.958 20 0 FFADHP COc1ccccc1CC1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246426593 1039350302 /nfs/dbraw/zinc/35/03/02/1039350302.db2.gz SMUKNUZIFKRWPA-CTNGQTDRSA-N 2 3 357.542 2.872 20 0 FFADHP COC(=O)c1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)c1 ZINC001246440861 1039357478 /nfs/dbraw/zinc/35/74/78/1039357478.db2.gz GDFYFGACPCRUOX-KNTRFNDTSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)c1 ZINC001246440861 1039357492 /nfs/dbraw/zinc/35/74/92/1039357492.db2.gz GDFYFGACPCRUOX-KNTRFNDTSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)c1 ZINC001246440860 1039357520 /nfs/dbraw/zinc/35/75/20/1039357520.db2.gz GDFYFGACPCRUOX-HUYLIWGRSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)c1 ZINC001246440860 1039357533 /nfs/dbraw/zinc/35/75/33/1039357533.db2.gz GDFYFGACPCRUOX-HUYLIWGRSA-N 2 3 359.514 2.686 20 0 FFADHP C[NH+](C)CCC1CCN(C/C=C/C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000121606280 509179342 /nfs/dbraw/zinc/17/93/42/509179342.db2.gz FODGGWVUFBCUGD-AATRIKPKSA-N 3 3 364.622 2.870 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246935043 510755321 /nfs/dbraw/zinc/75/53/21/510755321.db2.gz NJJUDAOXYIYTCG-GXRSIYKFSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246935043 510755329 /nfs/dbraw/zinc/75/53/29/510755329.db2.gz NJJUDAOXYIYTCG-GXRSIYKFSA-N 2 3 362.606 2.599 20 0 FFADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792142 513933393 /nfs/dbraw/zinc/93/33/93/513933393.db2.gz QRDKQSJQZRMXOU-WOJBJXKFSA-N 2 3 350.595 2.837 20 0 FFADHP c1ccc(C[NH+]2CCC(OCCCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422820220 513941908 /nfs/dbraw/zinc/94/19/08/513941908.db2.gz PMCBVXVHLHMCSH-WCRBZPEASA-N 2 3 357.542 2.930 20 0 FFADHP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423502573 514154171 /nfs/dbraw/zinc/15/41/71/514154171.db2.gz FEOXJZYLCZFRAV-JABWIYMSSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423502573 514154178 /nfs/dbraw/zinc/15/41/78/514154178.db2.gz FEOXJZYLCZFRAV-JABWIYMSSA-N 2 3 370.585 2.703 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1CC[C@H]1CCC[NH+]1C ZINC000503070736 514906412 /nfs/dbraw/zinc/90/64/12/514906412.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1CC[C@H]1CCC[NH+]1C ZINC000503070736 514906416 /nfs/dbraw/zinc/90/64/16/514906416.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000503070736 514906421 /nfs/dbraw/zinc/90/64/21/514906421.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000503070736 514906425 /nfs/dbraw/zinc/90/64/25/514906425.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CC[C@H]1CCCN1C ZINC000503070736 514906431 /nfs/dbraw/zinc/90/64/31/514906431.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1CC[C@H]1CCCN1C ZINC000503070736 514906434 /nfs/dbraw/zinc/90/64/34/514906434.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000503070736 514906440 /nfs/dbraw/zinc/90/64/40/514906440.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1CC[C@H]1CCCN1C ZINC000503070736 514906443 /nfs/dbraw/zinc/90/64/43/514906443.db2.gz CRKLRFBODGTRRT-CBPXPLCBSA-N 2 3 364.622 2.987 20 0 FFADHP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCNCC2)CCN1Cc1ccccc1 ZINC000925845918 1017870207 /nfs/dbraw/zinc/87/02/07/1017870207.db2.gz PVALZJMVJGZIBW-RBBKRZOGSA-N 2 3 358.574 2.705 20 0 FFADHP COc1ccc2c(c1)C1(CC[NH2+]CC1)N(C1CCC3(C[NH2+]C3)CC1)CC2 ZINC001246631232 1039422335 /nfs/dbraw/zinc/42/23/35/1039422335.db2.gz BVFQOXZBHSICBI-UHFFFAOYSA-N 2 3 355.526 2.664 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246935026 510755135 /nfs/dbraw/zinc/75/51/35/510755135.db2.gz NJJUDAOXYIYTCG-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246935026 510755141 /nfs/dbraw/zinc/75/51/41/510755141.db2.gz NJJUDAOXYIYTCG-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@H]2CN(CCCCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246935026 510755148 /nfs/dbraw/zinc/75/51/48/510755148.db2.gz NJJUDAOXYIYTCG-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@H]2CN(CCCCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246935026 510755154 /nfs/dbraw/zinc/75/51/54/510755154.db2.gz NJJUDAOXYIYTCG-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792139 513933646 /nfs/dbraw/zinc/93/36/46/513933646.db2.gz QRDKQSJQZRMXOU-PMACEKPBSA-N 2 3 350.595 2.837 20 0 FFADHP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC1)C2 ZINC001169106894 1000025652 /nfs/dbraw/zinc/02/56/52/1000025652.db2.gz ATZIAGZRTQZVPQ-HRMJIJJXSA-N 2 3 360.590 2.540 20 0 FFADHP C[C@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171767167 1011462766 /nfs/dbraw/zinc/46/27/66/1011462766.db2.gz KYUIDLCBQHNGDK-REWPJTCUSA-N 2 3 370.585 2.609 20 0 FFADHP C[C@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171767167 1011462774 /nfs/dbraw/zinc/46/27/74/1011462774.db2.gz KYUIDLCBQHNGDK-REWPJTCUSA-N 2 3 370.585 2.609 20 0 FFADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118655 1011652324 /nfs/dbraw/zinc/65/23/24/1011652324.db2.gz WVSFOWGMQPRLCC-LXHROKJGSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118655 1011652327 /nfs/dbraw/zinc/65/23/27/1011652327.db2.gz WVSFOWGMQPRLCC-LXHROKJGSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118655 1011652331 /nfs/dbraw/zinc/65/23/31/1011652331.db2.gz WVSFOWGMQPRLCC-LXHROKJGSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118655 1011652333 /nfs/dbraw/zinc/65/23/33/1011652333.db2.gz WVSFOWGMQPRLCC-LXHROKJGSA-N 2 3 361.574 2.682 20 0 FFADHP OC1(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCN(Cc2ccccc2)CC1 ZINC001246036822 1039210805 /nfs/dbraw/zinc/21/08/05/1039210805.db2.gz ZMWQEZVMPAENJZ-QFIPXVFZSA-N 2 3 371.569 2.868 20 0 FFADHP COc1cccc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)c1 ZINC001246378798 1039327731 /nfs/dbraw/zinc/32/77/31/1039327731.db2.gz TYOABHWUNFBFSK-UHFFFAOYSA-N 2 3 357.542 2.872 20 0 FFADHP C[NH2+]C1CCC([N@H+](Cc2cccc(C(=O)OC)c2)C2CCNCC2)CC1 ZINC001246959256 1039548573 /nfs/dbraw/zinc/54/85/73/1039548573.db2.gz RBQPOYMLJBJPTL-UHFFFAOYSA-N 2 3 359.514 2.558 20 0 FFADHP C[NH2+]C1CCC([N@@H+](Cc2cccc(C(=O)OC)c2)C2CCNCC2)CC1 ZINC001246959256 1039548585 /nfs/dbraw/zinc/54/85/85/1039548585.db2.gz RBQPOYMLJBJPTL-UHFFFAOYSA-N 2 3 359.514 2.558 20 0 FFADHP CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001279456599 1043137069 /nfs/dbraw/zinc/13/70/69/1043137069.db2.gz KQGGUEHWNXZVPL-UHFFFAOYSA-N 2 3 355.530 2.803 20 0 FFADHP CN(C)CC[N@H+]1CCCC2(CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001279456599 1043137075 /nfs/dbraw/zinc/13/70/75/1043137075.db2.gz KQGGUEHWNXZVPL-UHFFFAOYSA-N 2 3 355.530 2.803 20 0 FFADHP CCN1CCCC[C@@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849101799 1056760307 /nfs/dbraw/zinc/76/03/07/1056760307.db2.gz NSSNFBIKRQVEQC-HXUWFJFHSA-N 2 3 357.546 2.639 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@H]2CN(CC)CC)CC[NH2+]CC1 ZINC000422842746 513948840 /nfs/dbraw/zinc/94/88/40/513948840.db2.gz ZHNVIUJNRKUKAJ-FHWLQOOXSA-N 2 3 367.578 2.798 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521256 514158467 /nfs/dbraw/zinc/15/84/67/514158467.db2.gz SKXVOKIOWOUGSD-RQJJNDFQSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423521256 514158473 /nfs/dbraw/zinc/15/84/73/514158473.db2.gz SKXVOKIOWOUGSD-RQJJNDFQSA-N 2 3 370.585 2.703 20 0 FFADHP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000562961963 517534707 /nfs/dbraw/zinc/53/47/07/517534707.db2.gz KUCZZWNIROHIOQ-YPAWHYETSA-N 2 3 370.585 2.880 20 0 FFADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001167840740 976484305 /nfs/dbraw/zinc/48/43/05/976484305.db2.gz IFFUAFJSNGCKMS-MOPGFXCFSA-N 2 3 367.578 2.846 20 0 FFADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001167840740 976484310 /nfs/dbraw/zinc/48/43/10/976484310.db2.gz IFFUAFJSNGCKMS-MOPGFXCFSA-N 2 3 367.578 2.846 20 0 FFADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC001222573546 1033054551 /nfs/dbraw/zinc/05/45/51/1033054551.db2.gz ASBXJHMDGLKJFA-OAQYLSRUSA-N 2 3 357.542 2.789 20 0 FFADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001222573546 1033054568 /nfs/dbraw/zinc/05/45/68/1033054568.db2.gz ASBXJHMDGLKJFA-OAQYLSRUSA-N 2 3 357.542 2.789 20 0 FFADHP COc1ccc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246373998 1039327804 /nfs/dbraw/zinc/32/78/04/1039327804.db2.gz DRAVSEYTNBGTHZ-TZIWHRDSSA-N 2 3 357.542 2.872 20 0 FFADHP COCCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CC1 ZINC001246400115 1039339678 /nfs/dbraw/zinc/33/96/78/1039339678.db2.gz JKELRNDZHIKQCO-OAQYLSRUSA-N 2 3 363.521 2.957 20 0 FFADHP Cc1cc(F)ccc1[C@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615202 1039416525 /nfs/dbraw/zinc/41/65/25/1039416525.db2.gz QQAFIXAJECWHFT-UYAOXDASSA-N 2 3 361.505 2.629 20 0 FFADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671654 1039433364 /nfs/dbraw/zinc/43/33/64/1039433364.db2.gz IFQDNTFJEYFQAA-SCZRWQTQSA-N 2 3 369.553 2.541 20 0 FFADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671654 1039433374 /nfs/dbraw/zinc/43/33/74/1039433374.db2.gz IFQDNTFJEYFQAA-SCZRWQTQSA-N 2 3 369.553 2.541 20 0 FFADHP CN1CCC([NH+]2CCC3(CCC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)CC1 ZINC001280071221 1044169818 /nfs/dbraw/zinc/16/98/18/1044169818.db2.gz NMTLHOLTVAPBDR-UHFFFAOYSA-N 2 3 358.530 2.559 20 0 FFADHP CN1CCC([NH+]2CCC3(CCC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)CC1 ZINC001280071221 1044169821 /nfs/dbraw/zinc/16/98/21/1044169821.db2.gz NMTLHOLTVAPBDR-UHFFFAOYSA-N 2 3 358.530 2.559 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340452 1045392708 /nfs/dbraw/zinc/39/27/08/1045392708.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340452 1045392712 /nfs/dbraw/zinc/39/27/12/1045392712.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340452 1045392714 /nfs/dbraw/zinc/39/27/14/1045392714.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340452 1045392720 /nfs/dbraw/zinc/39/27/20/1045392720.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340452 1045392726 /nfs/dbraw/zinc/39/27/26/1045392726.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340452 1045392731 /nfs/dbraw/zinc/39/27/31/1045392731.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340452 1045392735 /nfs/dbraw/zinc/39/27/35/1045392735.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340452 1045392738 /nfs/dbraw/zinc/39/27/38/1045392738.db2.gz LKXFFIHFXKUYOF-FXELSEDVSA-N 2 3 352.611 2.701 20 0 FFADHP C[C@@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269002353 510185996 /nfs/dbraw/zinc/18/59/96/510185996.db2.gz VBBZHEWJGWEBND-TZIWHRDSSA-N 2 3 358.574 2.655 20 0 FFADHP C[C@@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269002353 510186004 /nfs/dbraw/zinc/18/60/04/510186004.db2.gz VBBZHEWJGWEBND-TZIWHRDSSA-N 2 3 358.574 2.655 20 0 FFADHP C[C@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269002352 510186483 /nfs/dbraw/zinc/18/64/83/510186483.db2.gz VBBZHEWJGWEBND-PZJWPPBQSA-N 2 3 358.574 2.655 20 0 FFADHP C[C@H]1C[C@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269002352 510186494 /nfs/dbraw/zinc/18/64/94/510186494.db2.gz VBBZHEWJGWEBND-PZJWPPBQSA-N 2 3 358.574 2.655 20 0 FFADHP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000269037419 510204936 /nfs/dbraw/zinc/20/49/36/510204936.db2.gz FSVHTKJZAKZHNF-PXNSSMCTSA-N 2 3 351.535 2.634 20 0 FFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000422915907 513975335 /nfs/dbraw/zinc/97/53/35/513975335.db2.gz ZIKBRCQFTSNNAO-DBQGFPOUSA-N 2 3 373.541 2.721 20 0 FFADHP CC(C)(C)CC(C)(C)N1CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC000449119626 514080566 /nfs/dbraw/zinc/08/05/66/514080566.db2.gz AJKSJBJUXOTMQX-UHFFFAOYSA-N 2 3 353.595 2.960 20 0 FFADHP COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000423405448 514131692 /nfs/dbraw/zinc/13/16/92/514131692.db2.gz JGIFLVKXUMLPHJ-FDFHNCONSA-N 2 3 371.569 2.893 20 0 FFADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423516069 514158197 /nfs/dbraw/zinc/15/81/97/514158197.db2.gz ANSXMXLRJPJJLN-SIKLNZKXSA-N 2 3 366.553 2.528 20 0 FFADHP C[C@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000415048946 514415806 /nfs/dbraw/zinc/41/58/06/514415806.db2.gz GTNNBJHHDBNKGF-IDJJCAIYSA-N 2 3 370.585 2.846 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256644 514772312 /nfs/dbraw/zinc/77/23/12/514772312.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256644 514772324 /nfs/dbraw/zinc/77/23/24/514772324.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256644 514772335 /nfs/dbraw/zinc/77/23/35/514772335.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489256644 514772349 /nfs/dbraw/zinc/77/23/49/514772349.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256644 514772359 /nfs/dbraw/zinc/77/23/59/514772359.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256644 514772367 /nfs/dbraw/zinc/77/23/67/514772367.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256644 514772379 /nfs/dbraw/zinc/77/23/79/514772379.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000489256644 514772387 /nfs/dbraw/zinc/77/23/87/514772387.db2.gz OTWYOVBKAKGIMN-UJOPUZHASA-N 2 3 352.611 2.986 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513345326 516577360 /nfs/dbraw/zinc/57/73/60/516577360.db2.gz JGNSPZVIUIVIIF-ICSRJNTNSA-N 2 3 351.579 2.854 20 0 FFADHP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@H]4CC5(CO4)CC[NH2+]CC5)C[C@H]3C2)cc1 ZINC000903785352 1016198913 /nfs/dbraw/zinc/19/89/13/1016198913.db2.gz YLBFYBCFHQMMPC-BHDDXSALSA-N 2 3 369.553 2.599 20 0 FFADHP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CC5(CO4)CC[NH2+]CC5)C[C@H]3C2)cc1 ZINC000903785352 1016198918 /nfs/dbraw/zinc/19/89/18/1016198918.db2.gz YLBFYBCFHQMMPC-BHDDXSALSA-N 2 3 369.553 2.599 20 0 FFADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119560 1011655761 /nfs/dbraw/zinc/65/57/61/1011655761.db2.gz WVSFOWGMQPRLCC-BIRZXAFVSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119560 1011655771 /nfs/dbraw/zinc/65/57/71/1011655771.db2.gz WVSFOWGMQPRLCC-BIRZXAFVSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119560 1011655778 /nfs/dbraw/zinc/65/57/78/1011655778.db2.gz WVSFOWGMQPRLCC-BIRZXAFVSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119560 1011655785 /nfs/dbraw/zinc/65/57/85/1011655785.db2.gz WVSFOWGMQPRLCC-BIRZXAFVSA-N 2 3 361.574 2.682 20 0 FFADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246003914 1039184266 /nfs/dbraw/zinc/18/42/66/1039184266.db2.gz XVBMBXSRPIICKK-RJGXRXQPSA-N 2 3 367.537 2.638 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246003914 1039184271 /nfs/dbraw/zinc/18/42/71/1039184271.db2.gz XVBMBXSRPIICKK-RJGXRXQPSA-N 2 3 367.537 2.638 20 0 FFADHP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615200 1039416847 /nfs/dbraw/zinc/41/68/47/1039416847.db2.gz QQAFIXAJECWHFT-ICSRJNTNSA-N 2 3 361.505 2.629 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340457 1045392632 /nfs/dbraw/zinc/39/26/32/1045392632.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340457 1045392634 /nfs/dbraw/zinc/39/26/34/1045392634.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340457 1045392635 /nfs/dbraw/zinc/39/26/35/1045392635.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC001320340457 1045392636 /nfs/dbraw/zinc/39/26/36/1045392636.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340457 1045392638 /nfs/dbraw/zinc/39/26/38/1045392638.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340457 1045392639 /nfs/dbraw/zinc/39/26/39/1045392639.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340457 1045392641 /nfs/dbraw/zinc/39/26/41/1045392641.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC001320340457 1045392642 /nfs/dbraw/zinc/39/26/42/1045392642.db2.gz LKXFFIHFXKUYOF-UJOPUZHASA-N 2 3 352.611 2.701 20 0 FFADHP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@@H](O)C2 ZINC001550422150 1074259496 /nfs/dbraw/zinc/25/94/96/1074259496.db2.gz NQFZKYQWFZSSQL-MLNNCEHLSA-N 2 3 363.590 2.853 20 0 FFADHP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@@H](O)C2 ZINC001550422150 1074259500 /nfs/dbraw/zinc/25/95/00/1074259500.db2.gz NQFZKYQWFZSSQL-MLNNCEHLSA-N 2 3 363.590 2.853 20 0 FFADHP C[C@@H]1OC2(C[C@@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)CC[NH+](C)CC2 ZINC001550517159 1074327944 /nfs/dbraw/zinc/32/79/44/1074327944.db2.gz XXMLOKZOMNEOLV-RXVVDRJESA-N 2 3 372.557 2.525 20 0 FFADHP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274932822 511991775 /nfs/dbraw/zinc/99/17/75/511991775.db2.gz RFYXSOITPVHIJN-OFNKIYASSA-N 2 3 372.601 2.760 20 0 FFADHP CN(c1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CCN(C)CC1 ZINC000430934783 513786328 /nfs/dbraw/zinc/78/63/28/513786328.db2.gz NVYHJRACXXUVJC-UHFFFAOYSA-N 2 3 356.558 2.793 20 0 FFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000422915904 513974926 /nfs/dbraw/zinc/97/49/26/513974926.db2.gz ZIKBRCQFTSNNAO-BAYUQKDNSA-N 2 3 373.541 2.721 20 0 FFADHP CN(c1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000415013020 514402221 /nfs/dbraw/zinc/40/22/21/514402221.db2.gz UJFPPPTUGGGSGT-LEWJYISDSA-N 2 3 356.558 2.695 20 0 FFADHP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655703814 961115781 /nfs/dbraw/zinc/11/57/81/961115781.db2.gz VYOVATYSEDBHPL-IRLDBZIGSA-N 2 3 357.542 2.742 20 0 FFADHP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655703814 961115793 /nfs/dbraw/zinc/11/57/93/961115793.db2.gz VYOVATYSEDBHPL-IRLDBZIGSA-N 2 3 357.542 2.742 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742355 990368033 /nfs/dbraw/zinc/36/80/33/990368033.db2.gz NKEPYHZRJRBREU-FPOVZHCZSA-N 2 3 358.574 2.513 20 0 FFADHP C[N@H+](CCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)Cc1ccccc1 ZINC000923324282 991068299 /nfs/dbraw/zinc/06/82/99/991068299.db2.gz RUKOKKNAGSMGAK-NOTZXAQLSA-N 2 3 370.585 2.657 20 0 FFADHP C[N@@H+](CCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)Cc1ccccc1 ZINC000923324282 991068307 /nfs/dbraw/zinc/06/83/07/991068307.db2.gz RUKOKKNAGSMGAK-NOTZXAQLSA-N 2 3 370.585 2.657 20 0 FFADHP c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647784378 1012582392 /nfs/dbraw/zinc/58/23/92/1012582392.db2.gz SEKCMTZEQVCQJB-RJGXRXQPSA-N 2 3 370.585 2.562 20 0 FFADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000925548251 1017781084 /nfs/dbraw/zinc/78/10/84/1017781084.db2.gz AZFBMKUIRZYPJB-MLNNCEHLSA-N 2 3 371.569 2.798 20 0 FFADHP [NH3+]CCC[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623817 1017803150 /nfs/dbraw/zinc/80/31/50/1017803150.db2.gz SVRJYSFBQKRKNX-YADHBBJMSA-N 2 3 353.510 2.693 20 0 FFADHP [NH3+]CCC[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623817 1017803172 /nfs/dbraw/zinc/80/31/72/1017803172.db2.gz SVRJYSFBQKRKNX-YADHBBJMSA-N 2 3 353.510 2.693 20 0 FFADHP CN1CCC(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)([NH+]2CCCCC2)CC1 ZINC000903103472 1020679486 /nfs/dbraw/zinc/67/94/86/1020679486.db2.gz IOFRZXSBCNMIIC-VCSGRIEYSA-N 2 3 360.590 2.684 20 0 FFADHP CN1CCC(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)([NH+]2CCCCC2)CC1 ZINC000903103472 1020679492 /nfs/dbraw/zinc/67/94/92/1020679492.db2.gz IOFRZXSBCNMIIC-VCSGRIEYSA-N 2 3 360.590 2.684 20 0 FFADHP CN(C)C1(CNc2ccc(SC3CC[NH2+]CC3)cc2)CC[NH+](C)CC1 ZINC001164216486 1029204358 /nfs/dbraw/zinc/20/43/58/1029204358.db2.gz DLWJMMVGPWIARX-UHFFFAOYSA-N 2 3 362.587 2.969 20 0 FFADHP Brc1ccc(C[N@H+](CCC2C[NH2+]C2)C2CCNCC2)cc1 ZINC001236377015 1038061736 /nfs/dbraw/zinc/06/17/36/1038061736.db2.gz CQPQSICMRIZIEQ-UHFFFAOYSA-N 2 3 352.320 2.613 20 0 FFADHP Brc1ccc(C[N@@H+](CCC2C[NH2+]C2)C2CCNCC2)cc1 ZINC001236377015 1038061758 /nfs/dbraw/zinc/06/17/58/1038061758.db2.gz CQPQSICMRIZIEQ-UHFFFAOYSA-N 2 3 352.320 2.613 20 0 FFADHP Brc1ccc(CN(CCC2C[NH2+]C2)C2CC[NH2+]CC2)cc1 ZINC001236377015 1038061775 /nfs/dbraw/zinc/06/17/75/1038061775.db2.gz CQPQSICMRIZIEQ-UHFFFAOYSA-N 2 3 352.320 2.613 20 0 FFADHP C[C@@H]1CC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246146013 1039257704 /nfs/dbraw/zinc/25/77/04/1039257704.db2.gz NEPVNVOYHPPRKR-SBHAEUEKSA-N 2 3 370.585 2.892 20 0 FFADHP c1[nH]c2ccccc2c1CCN1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001279615146 1043343665 /nfs/dbraw/zinc/34/36/65/1043343665.db2.gz KTEDUIIKZJYRGN-UHFFFAOYSA-N 2 3 352.526 2.718 20 0 FFADHP CN(C)C1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000849056614 1055609287 /nfs/dbraw/zinc/60/92/87/1055609287.db2.gz TYRVQQSTRDWGQE-UHFFFAOYSA-N 2 3 357.546 2.639 20 0 FFADHP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](C)C1 ZINC000849059855 1055613479 /nfs/dbraw/zinc/61/34/79/1055613479.db2.gz SIEACNRSTOKZCS-RBUKOAKNSA-N 2 3 371.573 2.885 20 0 FFADHP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000849071473 1055628619 /nfs/dbraw/zinc/62/86/19/1055628619.db2.gz YTMCLAKGESFBBQ-SFHVURJKSA-N 2 3 357.546 2.639 20 0 FFADHP C[C@H]1OC2(C[C@@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)CC[NH+](C)CC2 ZINC001550517158 1074328281 /nfs/dbraw/zinc/32/82/81/1074328281.db2.gz XXMLOKZOMNEOLV-NQIIRXRSSA-N 2 3 372.557 2.525 20 0 FFADHP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272524137 252060451 /nfs/dbraw/zinc/06/04/51/252060451.db2.gz AAGBQCDOQXVQCU-UNMCSNQZSA-N 2 3 358.574 2.514 20 0 FFADHP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272524137 252060454 /nfs/dbraw/zinc/06/04/54/252060454.db2.gz AAGBQCDOQXVQCU-UNMCSNQZSA-N 2 3 358.574 2.514 20 0 FFADHP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000269037421 510205430 /nfs/dbraw/zinc/20/54/30/510205430.db2.gz FSVHTKJZAKZHNF-XLIONFOSSA-N 2 3 351.535 2.634 20 0 FFADHP CCN1CCN(c2ccccc2C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446886691 513356161 /nfs/dbraw/zinc/35/61/61/513356161.db2.gz IWNFYOGUYNCMNQ-UHFFFAOYSA-N 2 3 356.558 2.793 20 0 FFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000422915912 513974881 /nfs/dbraw/zinc/97/48/81/513974881.db2.gz ZIKBRCQFTSNNAO-RMEPHLEKSA-N 2 3 373.541 2.721 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158970 1013157501 /nfs/dbraw/zinc/15/75/01/1013157501.db2.gz ZNBVBCOCTLDMDP-YJMBLLCNSA-N 2 3 359.558 2.537 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158970 1013157515 /nfs/dbraw/zinc/15/75/15/1013157515.db2.gz ZNBVBCOCTLDMDP-YJMBLLCNSA-N 2 3 359.558 2.537 20 0 FFADHP CCN(CC)Cc1ccc(Br)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167884541 977229686 /nfs/dbraw/zinc/22/96/86/977229686.db2.gz WQWVXGAHVBGRTB-UHFFFAOYSA-N 2 3 370.339 2.966 20 0 FFADHP OC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000925695117 1017819051 /nfs/dbraw/zinc/81/90/51/1017819051.db2.gz YVEROLLUQSPOOU-FGZHOGPDSA-N 2 3 371.569 2.771 20 0 FFADHP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1CN1CCCCC1 ZINC000925814105 1017857794 /nfs/dbraw/zinc/85/77/94/1017857794.db2.gz FXKMVYHFSAETKF-GOSISDBHSA-N 2 3 374.573 2.755 20 0 FFADHP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235972406 1037869667 /nfs/dbraw/zinc/86/96/67/1037869667.db2.gz HKMCPWGXAZTSLY-GOTSBHOMSA-N 2 3 370.585 2.931 20 0 FFADHP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235972406 1037869682 /nfs/dbraw/zinc/86/96/82/1037869682.db2.gz HKMCPWGXAZTSLY-GOTSBHOMSA-N 2 3 370.585 2.931 20 0 FFADHP CC(C)C1=NCCc2ccc(CN(CC[NH+](C)C)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236934221 1038365525 /nfs/dbraw/zinc/36/55/25/1038365525.db2.gz WFWMVAASPTVYBV-HXUWFJFHSA-N 2 3 356.558 2.803 20 0 FFADHP COc1ccccc1CC1(C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246417691 1039346510 /nfs/dbraw/zinc/34/65/10/1039346510.db2.gz CCVWUWUFUNFSKI-IBGZPJMESA-N 2 3 357.542 2.872 20 0 FFADHP COC(=O)c1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246439782 1039357311 /nfs/dbraw/zinc/35/73/11/1039357311.db2.gz ALRWFTFGVFUZJR-HUYLIWGRSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246439782 1039357318 /nfs/dbraw/zinc/35/73/18/1039357318.db2.gz ALRWFTFGVFUZJR-HUYLIWGRSA-N 2 3 359.514 2.686 20 0 FFADHP [NH3+]C1CCN(Cc2ccccc2-c2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001240248097 1044279363 /nfs/dbraw/zinc/27/93/63/1044279363.db2.gz VRQOVHBBZIKABS-UHFFFAOYSA-N 2 3 364.537 2.682 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272612601 252080251 /nfs/dbraw/zinc/08/02/51/252080251.db2.gz WPTJXYXLEDLZLW-BHDDXSALSA-N 2 3 371.569 2.722 20 0 FFADHP C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000268852152 510100439 /nfs/dbraw/zinc/10/04/39/510100439.db2.gz HKYIGGFTVXFGPP-OFNKIYASSA-N 2 3 372.601 2.903 20 0 FFADHP CCOC(=O)C1([C@@H](C)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096073 514039304 /nfs/dbraw/zinc/03/93/04/514039304.db2.gz NZDLDGBRPGTWBT-IEBWSBKVSA-N 2 3 365.562 2.695 20 0 FFADHP CCOC(=O)C1([C@@H](C)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096073 514039312 /nfs/dbraw/zinc/03/93/12/514039312.db2.gz NZDLDGBRPGTWBT-IEBWSBKVSA-N 2 3 365.562 2.695 20 0 FFADHP c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193483 514076728 /nfs/dbraw/zinc/07/67/28/514076728.db2.gz WNMRYHMDOBJCPT-ZRBLBEILSA-N 2 3 370.585 2.562 20 0 FFADHP C[NH+](C)C1CCN(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886537399 1008726493 /nfs/dbraw/zinc/72/64/93/1008726493.db2.gz ZQKGNFHECGANKX-FUDKSRODSA-N 2 3 370.585 2.655 20 0 FFADHP C[NH+](C)C1CCN(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886537399 1008726510 /nfs/dbraw/zinc/72/65/10/1008726510.db2.gz ZQKGNFHECGANKX-FUDKSRODSA-N 2 3 370.585 2.655 20 0 FFADHP C[NH+](C)C1CCN(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886537399 1008726523 /nfs/dbraw/zinc/72/65/23/1008726523.db2.gz ZQKGNFHECGANKX-FUDKSRODSA-N 2 3 370.585 2.655 20 0 FFADHP CN(C)C1(CNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001164210862 1029203221 /nfs/dbraw/zinc/20/32/21/1029203221.db2.gz KBEVLNZAADZFTB-UHFFFAOYSA-N 2 3 356.558 2.692 20 0 FFADHP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615157 1039416677 /nfs/dbraw/zinc/41/66/77/1039416677.db2.gz QQAFIXAJECWHFT-AZUAARDMSA-N 2 3 361.505 2.629 20 0 FFADHP CCCN1CCC([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CC1 ZINC001258768354 1039504617 /nfs/dbraw/zinc/50/46/17/1039504617.db2.gz KQDQBMBKBOTUGT-AQYVVDRMSA-N 2 3 362.606 2.789 20 0 FFADHP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272524135 252061071 /nfs/dbraw/zinc/06/10/71/252061071.db2.gz AAGBQCDOQXVQCU-IRLDBZIGSA-N 2 3 358.574 2.514 20 0 FFADHP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272524135 252061074 /nfs/dbraw/zinc/06/10/74/252061074.db2.gz AAGBQCDOQXVQCU-IRLDBZIGSA-N 2 3 358.574 2.514 20 0 FFADHP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274977968 512005445 /nfs/dbraw/zinc/00/54/45/512005445.db2.gz YURBIQKNOQSMSN-FPOVZHCZSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@H](NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977968 512005450 /nfs/dbraw/zinc/00/54/50/512005450.db2.gz YURBIQKNOQSMSN-FPOVZHCZSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@H](NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274977968 512005453 /nfs/dbraw/zinc/00/54/53/512005453.db2.gz YURBIQKNOQSMSN-FPOVZHCZSA-N 2 3 358.574 2.513 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN(CC)CC)CC[NH2+]CC1 ZINC000422842748 513949098 /nfs/dbraw/zinc/94/90/98/513949098.db2.gz ZHNVIUJNRKUKAJ-IPMKNSEASA-N 2 3 367.578 2.798 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742352 990367827 /nfs/dbraw/zinc/36/78/27/990367827.db2.gz NKEPYHZRJRBREU-CTNGQTDRSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844296 1017868951 /nfs/dbraw/zinc/86/89/51/1017868951.db2.gz JLFDKFFXGQNHKS-IRLDBZIGSA-N 2 3 358.574 2.562 20 0 FFADHP CCN1CCN([C@H](C)C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902335396 1020109668 /nfs/dbraw/zinc/10/96/68/1020109668.db2.gz AUNGCGRLQYCIOJ-UZLBHIALSA-N 2 3 368.516 2.751 20 0 FFADHP c1cc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236376626 1038062016 /nfs/dbraw/zinc/06/20/16/1038062016.db2.gz ULPHVSMNUOZXIF-HXUWFJFHSA-N 2 3 356.558 2.840 20 0 FFADHP c1cc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236376626 1038062040 /nfs/dbraw/zinc/06/20/40/1038062040.db2.gz ULPHVSMNUOZXIF-HXUWFJFHSA-N 2 3 356.558 2.840 20 0 FFADHP NC(=[NH2+])SCCSC(=[NH2+])NC1CCN(CCc2ccccc2)CC1 ZINC001258135320 1039213134 /nfs/dbraw/zinc/21/31/34/1039213134.db2.gz AIWKIKUGNUZTDY-UHFFFAOYSA-N 2 3 365.572 2.578 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C(C)(C)CN1CC[C@@H]1CCC[NH+]1C ZINC000451085521 513506763 /nfs/dbraw/zinc/50/67/63/513506763.db2.gz RHLSGRGWITVILG-AABGKKOBSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C(C)(C)CN1CC[C@@H]1CCC[NH+]1C ZINC000451085521 513506774 /nfs/dbraw/zinc/50/67/74/513506774.db2.gz RHLSGRGWITVILG-AABGKKOBSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000451085521 513506779 /nfs/dbraw/zinc/50/67/79/513506779.db2.gz RHLSGRGWITVILG-AABGKKOBSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000451085521 513506790 /nfs/dbraw/zinc/50/67/90/513506790.db2.gz RHLSGRGWITVILG-AABGKKOBSA-N 2 3 350.595 2.740 20 0 FFADHP CCOC(=O)C1([C@@H](C)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422800434 513937797 /nfs/dbraw/zinc/93/77/97/513937797.db2.gz BRNOMQIVYQOOSN-QGZVFWFLSA-N 2 3 353.551 2.552 20 0 FFADHP CCOC(=O)C1([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422800434 513937802 /nfs/dbraw/zinc/93/78/02/513937802.db2.gz BRNOMQIVYQOOSN-QGZVFWFLSA-N 2 3 353.551 2.552 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC[NH2+]CC1 ZINC000423028356 514012722 /nfs/dbraw/zinc/01/27/22/514012722.db2.gz GEPKYCMQFYYDDJ-FGTMMUONSA-N 2 3 365.562 2.550 20 0 FFADHP CSC1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC[NH+](C)CC1 ZINC000589325451 518980989 /nfs/dbraw/zinc/98/09/89/518980989.db2.gz MXDQUCQSNALTPH-UHFFFAOYSA-N 2 3 351.560 2.544 20 0 FFADHP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655703813 961116267 /nfs/dbraw/zinc/11/62/67/961116267.db2.gz VYOVATYSEDBHPL-IFMALSPDSA-N 2 3 357.542 2.742 20 0 FFADHP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655703813 961116282 /nfs/dbraw/zinc/11/62/82/961116282.db2.gz VYOVATYSEDBHPL-IFMALSPDSA-N 2 3 357.542 2.742 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879576730 1015595048 /nfs/dbraw/zinc/59/50/48/1015595048.db2.gz DONPNERLZYMHGJ-GXRSIYKFSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879576730 1015595057 /nfs/dbraw/zinc/59/50/57/1015595057.db2.gz DONPNERLZYMHGJ-GXRSIYKFSA-N 2 3 362.606 2.599 20 0 FFADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886538765 1008725289 /nfs/dbraw/zinc/72/52/89/1008725289.db2.gz NOYLWENCYVCZNP-LNRXMEIDSA-N 2 3 359.558 2.986 20 0 FFADHP C[C@@H]1CC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246146015 1039257768 /nfs/dbraw/zinc/25/77/68/1039257768.db2.gz NEPVNVOYHPPRKR-SFHLNBCPSA-N 2 3 370.585 2.892 20 0 FFADHP COCCC[NH+]1CCC(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246405899 1039341144 /nfs/dbraw/zinc/34/11/44/1039341144.db2.gz NFWGSJYXSLMETH-NRFANRHFSA-N 2 3 363.521 2.957 20 0 FFADHP [NH2+]=C(NCCN1CCCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849059800 1055613976 /nfs/dbraw/zinc/61/39/76/1055613976.db2.gz OPLCWPRJNFCJCU-UHFFFAOYSA-N 2 3 357.546 2.641 20 0 FFADHP C[N@H+](CCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000849116139 1056770263 /nfs/dbraw/zinc/77/02/63/1056770263.db2.gz JJRQWTOFWUHRRS-UHFFFAOYSA-N 2 3 357.546 2.639 20 0 FFADHP C[N@@H+](CCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000849116139 1056770270 /nfs/dbraw/zinc/77/02/70/1056770270.db2.gz JJRQWTOFWUHRRS-UHFFFAOYSA-N 2 3 357.546 2.639 20 0 FFADHP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274932823 511991637 /nfs/dbraw/zinc/99/16/37/511991637.db2.gz RFYXSOITPVHIJN-REWPJTCUSA-N 2 3 372.601 2.760 20 0 FFADHP [NH3+]CC1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000422696291 513905741 /nfs/dbraw/zinc/90/57/41/513905741.db2.gz RGJMWDGETXFDKQ-UHFFFAOYSA-N 2 3 358.574 2.692 20 0 FFADHP c1ccc(CN2CCC(Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)CC2)cc1 ZINC000635006403 521865215 /nfs/dbraw/zinc/86/52/15/521865215.db2.gz BMEPAXHYXWEPSC-UHFFFAOYSA-N 2 3 351.498 2.568 20 0 FFADHP FC(F)(F)c1ccc(C2([NH2+][C@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246422518 1039349022 /nfs/dbraw/zinc/34/90/22/1039349022.db2.gz LUFFJIONDXAZBB-OAHLLOKOSA-N 2 3 371.472 2.721 20 0 FFADHP C[C@@H]1C[C@@H](C)C[NH+](CCCNCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254048407 1040548222 /nfs/dbraw/zinc/54/82/22/1040548222.db2.gz MMVVKBXTEHFAKM-NHCUHLMSSA-N 2 3 373.585 2.971 20 0 FFADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001464891397 1062896841 /nfs/dbraw/zinc/89/68/41/1062896841.db2.gz TVTAONGYKYRVCE-UHFFFAOYSA-N 2 3 373.545 2.636 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001577536152 1078375207 /nfs/dbraw/zinc/37/52/07/1078375207.db2.gz PMNSXPDIYXUJND-SESVDKBCSA-N 2 3 356.558 2.696 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913646 510133667 /nfs/dbraw/zinc/13/36/67/510133667.db2.gz NIUSLFMLSMQGFA-UYAOXDASSA-N 2 3 363.546 2.515 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913646 510133672 /nfs/dbraw/zinc/13/36/72/510133672.db2.gz NIUSLFMLSMQGFA-UYAOXDASSA-N 2 3 363.546 2.515 20 0 FFADHP Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C[NH3+])c1 ZINC001159468487 1027400942 /nfs/dbraw/zinc/40/09/42/1027400942.db2.gz XQBKGRQPUXSGHI-UHFFFAOYSA-N 2 3 363.509 2.758 20 0 FFADHP COCCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)CC1 ZINC001246400114 1039339097 /nfs/dbraw/zinc/33/90/97/1039339097.db2.gz JKELRNDZHIKQCO-NRFANRHFSA-N 2 3 363.521 2.957 20 0 FFADHP FC(F)(F)c1ccccc1C1([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)CCNCC1 ZINC001246449757 1039360342 /nfs/dbraw/zinc/36/03/42/1039360342.db2.gz HWPISBMGHTWRGH-ZDUSSCGKSA-N 2 3 371.472 2.721 20 0 FFADHP Fc1cccc(C[N@H+](C2CCNCC2)C2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001246935370 1039539750 /nfs/dbraw/zinc/53/97/50/1039539750.db2.gz HOICHVNUUQZVPQ-UHFFFAOYSA-N 2 3 361.505 2.681 20 0 FFADHP Fc1cccc(C[N@@H+](C2CCNCC2)C2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001246935370 1039539761 /nfs/dbraw/zinc/53/97/61/1039539761.db2.gz HOICHVNUUQZVPQ-UHFFFAOYSA-N 2 3 361.505 2.681 20 0 FFADHP CN1CCC[C@@H]1CC[N@H+](C)[C@@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399958 511187834 /nfs/dbraw/zinc/18/78/34/511187834.db2.gz CXRSEXMNEWQTMX-NJDAHSKKSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@@H]1CC[N@@H+](C)[C@@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399958 511187838 /nfs/dbraw/zinc/18/78/38/511187838.db2.gz CXRSEXMNEWQTMX-NJDAHSKKSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@@H]1CC[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000362399958 511187841 /nfs/dbraw/zinc/18/78/41/511187841.db2.gz CXRSEXMNEWQTMX-NJDAHSKKSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@@H]1CC[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000362399958 511187846 /nfs/dbraw/zinc/18/78/46/511187846.db2.gz CXRSEXMNEWQTMX-NJDAHSKKSA-N 2 3 350.595 2.741 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000506907818 516020633 /nfs/dbraw/zinc/02/06/33/516020633.db2.gz IDRCRMADRUIBKL-UHFFFAOYSA-N 2 3 358.574 2.992 20 0 FFADHP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526120 1008720088 /nfs/dbraw/zinc/72/00/88/1008720088.db2.gz FOWJBIIUYICEPX-GPJHCHHRSA-N 2 3 371.569 2.866 20 0 FFADHP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526120 1008720097 /nfs/dbraw/zinc/72/00/97/1008720097.db2.gz FOWJBIIUYICEPX-GPJHCHHRSA-N 2 3 371.569 2.866 20 0 FFADHP C[NH+](C)C1CCN(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886537400 1008724994 /nfs/dbraw/zinc/72/49/94/1008724994.db2.gz ZQKGNFHECGANKX-XJUOHMSHSA-N 2 3 370.585 2.655 20 0 FFADHP C[NH+](C)C1CCN(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886537400 1008725010 /nfs/dbraw/zinc/72/50/10/1008725010.db2.gz ZQKGNFHECGANKX-XJUOHMSHSA-N 2 3 370.585 2.655 20 0 FFADHP C[NH+](C)C1CCN(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886537400 1008725021 /nfs/dbraw/zinc/72/50/21/1008725021.db2.gz ZQKGNFHECGANKX-XJUOHMSHSA-N 2 3 370.585 2.655 20 0 FFADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C3)cc1 ZINC000925847100 1017869124 /nfs/dbraw/zinc/86/91/24/1017869124.db2.gz ZRGMBQGNIGPFFO-NUNAXRQHSA-N 2 3 370.585 2.847 20 0 FFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687096 1038602457 /nfs/dbraw/zinc/60/24/57/1038602457.db2.gz NJLIDMSYLGTYMU-NIZJOAOESA-N 2 3 372.557 2.797 20 0 FFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687096 1038602461 /nfs/dbraw/zinc/60/24/61/1038602461.db2.gz NJLIDMSYLGTYMU-NIZJOAOESA-N 2 3 372.557 2.797 20 0 FFADHP CC1(C)C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246146108 1039258622 /nfs/dbraw/zinc/25/86/22/1039258622.db2.gz NREVPTCBLGCGDS-NHCUHLMSSA-N 2 3 370.585 2.893 20 0 FFADHP CC1(C)C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246146108 1039258631 /nfs/dbraw/zinc/25/86/31/1039258631.db2.gz NREVPTCBLGCGDS-NHCUHLMSSA-N 2 3 370.585 2.893 20 0 FFADHP COc1cccc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246379603 1039327920 /nfs/dbraw/zinc/32/79/20/1039327920.db2.gz ZHRHMXDKEJLPAW-LJQANCHMSA-N 2 3 357.542 2.872 20 0 FFADHP c1ccc(C[C@H]2C[C@H]([NH2+]CC3(c4cccnc4)CC[NH2+]CC3)CCN2)cc1 ZINC001246422464 1039348207 /nfs/dbraw/zinc/34/82/07/1039348207.db2.gz IYSBTRWGAXQXSQ-YADHBBJMSA-N 2 3 364.537 2.656 20 0 FFADHP FC(F)(F)c1cccc(C2([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246431848 1039352704 /nfs/dbraw/zinc/35/27/04/1039352704.db2.gz VAGDGXUJBSRSCJ-HNNXBMFYSA-N 2 3 371.472 2.721 20 0 FFADHP CCOCCCN1CC[C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)C1 ZINC001578107696 1078439820 /nfs/dbraw/zinc/43/98/20/1078439820.db2.gz HCIBSFYVTQSNRW-YJBOKZPZSA-N 2 3 351.560 2.620 20 0 FFADHP C[C@@H]1OC2(C[C@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)CC[NH+](C)CC2 ZINC001550517157 1074328013 /nfs/dbraw/zinc/32/80/13/1074328013.db2.gz XXMLOKZOMNEOLV-GHTZIAJQSA-N 2 3 372.557 2.525 20 0 FFADHP CCCN1CCN(c2ccccc2C[N@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000093088930 508121120 /nfs/dbraw/zinc/12/11/20/508121120.db2.gz HXALVUYSOZZRJQ-UHFFFAOYSA-N 2 3 358.574 2.992 20 0 FFADHP CCCN1CCN(c2ccccc2C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000093088930 508121121 /nfs/dbraw/zinc/12/11/21/508121121.db2.gz HXALVUYSOZZRJQ-UHFFFAOYSA-N 2 3 358.574 2.992 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000268842415 510094958 /nfs/dbraw/zinc/09/49/58/510094958.db2.gz FVBRTRKCDUTPKD-OFNKIYASSA-N 2 3 372.601 2.760 20 0 FFADHP CC1CN(CCC[NH+]2CCCCC2)CCN(CCC[NH+]2CCCCC2)C1 ZINC000451894975 514050420 /nfs/dbraw/zinc/05/04/20/514050420.db2.gz WLEZHEUWCGJWNQ-UHFFFAOYSA-N 2 3 364.622 2.992 20 0 FFADHP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415050660 514416981 /nfs/dbraw/zinc/41/69/81/514416981.db2.gz IZGJJOVSTBZVQQ-UHFFFAOYSA-N 2 3 372.601 2.951 20 0 FFADHP CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050660 514416992 /nfs/dbraw/zinc/41/69/92/514416992.db2.gz IZGJJOVSTBZVQQ-UHFFFAOYSA-N 2 3 372.601 2.951 20 0 FFADHP CC(CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000513121438 516481976 /nfs/dbraw/zinc/48/19/76/516481976.db2.gz DGTJBHSHDQKXQM-KVLBRWNKSA-N 2 3 362.606 2.737 20 0 FFADHP CC(CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000513121438 516481986 /nfs/dbraw/zinc/48/19/86/516481986.db2.gz DGTJBHSHDQKXQM-KVLBRWNKSA-N 2 3 362.606 2.737 20 0 FFADHP CC(CN(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000513121438 516481995 /nfs/dbraw/zinc/48/19/95/516481995.db2.gz DGTJBHSHDQKXQM-KVLBRWNKSA-N 2 3 362.606 2.737 20 0 FFADHP CC(CN(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000513121438 516482004 /nfs/dbraw/zinc/48/20/04/516482004.db2.gz DGTJBHSHDQKXQM-KVLBRWNKSA-N 2 3 362.606 2.737 20 0 FFADHP c1c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc2c1C[NH2+]CC2 ZINC000904471304 736254105 /nfs/dbraw/zinc/25/41/05/736254105.db2.gz HATIFJWDBRWSIZ-FXAWDEMLSA-N 2 3 355.507 2.739 20 0 FFADHP CC(C)N1CCN(CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000669688292 985160401 /nfs/dbraw/zinc/16/04/01/985160401.db2.gz IRRDSYFPNVQGHX-UHFFFAOYSA-N 2 3 364.622 2.991 20 0 FFADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941174 1033899433 /nfs/dbraw/zinc/89/94/33/1033899433.db2.gz PTAIUTOYSLNVJM-SFTDATJTSA-N 2 3 374.573 2.510 20 0 FFADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941174 1033899444 /nfs/dbraw/zinc/89/94/44/1033899444.db2.gz PTAIUTOYSLNVJM-SFTDATJTSA-N 2 3 374.573 2.510 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001246238528 1039286249 /nfs/dbraw/zinc/28/62/49/1039286249.db2.gz WDQYWFRKMASAJW-DHIUTWEWSA-N 2 3 370.585 2.836 20 0 FFADHP COc1cccc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246374036 1039329291 /nfs/dbraw/zinc/32/92/91/1039329291.db2.gz DYOGNYAOPXNJJD-FPOVZHCZSA-N 2 3 357.542 2.872 20 0 FFADHP COC(=O)c1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246439784 1039357254 /nfs/dbraw/zinc/35/72/54/1039357254.db2.gz ALRWFTFGVFUZJR-KNTRFNDTSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246439784 1039357264 /nfs/dbraw/zinc/35/72/64/1039357264.db2.gz ALRWFTFGVFUZJR-KNTRFNDTSA-N 2 3 359.514 2.686 20 0 FFADHP c1ccc([C@@]23CCNC[C@H]2C[N@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671653 1039434123 /nfs/dbraw/zinc/43/41/23/1039434123.db2.gz IFQDNTFJEYFQAA-SBOSXTITSA-N 2 3 369.553 2.541 20 0 FFADHP c1ccc([C@@]23CCNC[C@H]2C[N@@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671653 1039434129 /nfs/dbraw/zinc/43/41/29/1039434129.db2.gz IFQDNTFJEYFQAA-SBOSXTITSA-N 2 3 369.553 2.541 20 0 FFADHP Cc1nc(NCC(C)(C)C[NH+](C)C)cc(NCC(C)(C)C[NH+](C)C)n1 ZINC000532780812 562488554 /nfs/dbraw/zinc/48/85/54/562488554.db2.gz KSDFMJSDYJHWDN-UHFFFAOYSA-N 2 3 350.555 2.784 20 0 FFADHP C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000163937325 994621578 /nfs/dbraw/zinc/62/15/78/994621578.db2.gz COXZPMWVCRPXDB-OAQYLSRUSA-N 2 3 372.601 2.904 20 0 FFADHP [NH3+]C1CCN(CCc2cn(-c3[nH+]ccc4c3CCN4)c3ccccc23)CC1 ZINC001170525528 1004615113 /nfs/dbraw/zinc/61/51/13/1004615113.db2.gz RAOFWEHSCAPKDI-UHFFFAOYSA-N 2 3 361.493 2.959 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886541373 1008728097 /nfs/dbraw/zinc/72/80/97/1008728097.db2.gz VGKPKUYHKJCJGN-FKBYEOEOSA-N 2 3 371.569 2.864 20 0 FFADHP [NH3+]CCCC[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1F ZINC000902405282 1020174572 /nfs/dbraw/zinc/17/45/72/1020174572.db2.gz KCDHPRWVEUMNFE-QFBILLFUSA-N 2 3 367.484 2.883 20 0 FFADHP C[NH+](C)CCOc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903090793 1020672169 /nfs/dbraw/zinc/67/21/69/1020672169.db2.gz HKQIPPFJYIJATN-VCSGRIEYSA-N 2 3 357.542 2.917 20 0 FFADHP C[NH+](C)CCOc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903090793 1020672181 /nfs/dbraw/zinc/67/21/81/1020672181.db2.gz HKQIPPFJYIJATN-VCSGRIEYSA-N 2 3 357.542 2.917 20 0 FFADHP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235974635 1037873698 /nfs/dbraw/zinc/87/36/98/1037873698.db2.gz VKEUTHNRPQIPOK-UNMCSNQZSA-N 2 3 356.558 2.935 20 0 FFADHP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235974635 1037873712 /nfs/dbraw/zinc/87/37/12/1037873712.db2.gz VKEUTHNRPQIPOK-UNMCSNQZSA-N 2 3 356.558 2.935 20 0 FFADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246146005 1039258140 /nfs/dbraw/zinc/25/81/40/1039258140.db2.gz NEPVNVOYHPPRKR-MXNKGDRCSA-N 2 3 370.585 2.892 20 0 FFADHP C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246146005 1039258157 /nfs/dbraw/zinc/25/81/57/1039258157.db2.gz NEPVNVOYHPPRKR-MXNKGDRCSA-N 2 3 370.585 2.892 20 0 FFADHP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001550422148 1074259575 /nfs/dbraw/zinc/25/95/75/1074259575.db2.gz NQFZKYQWFZSSQL-CMOCDZPBSA-N 2 3 363.590 2.853 20 0 FFADHP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001550422148 1074259578 /nfs/dbraw/zinc/25/95/78/1074259578.db2.gz NQFZKYQWFZSSQL-CMOCDZPBSA-N 2 3 363.590 2.853 20 0 FFADHP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913643 510133149 /nfs/dbraw/zinc/13/31/49/510133149.db2.gz NIUSLFMLSMQGFA-ICSRJNTNSA-N 2 3 363.546 2.515 20 0 FFADHP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913643 510133157 /nfs/dbraw/zinc/13/31/57/510133157.db2.gz NIUSLFMLSMQGFA-ICSRJNTNSA-N 2 3 363.546 2.515 20 0 FFADHP CN1CCC[C@@H]1CC[N@H+](C)[C@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399959 511188421 /nfs/dbraw/zinc/18/84/21/511188421.db2.gz CXRSEXMNEWQTMX-NJYVYQBISA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@@H]1CC[N@@H+](C)[C@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399959 511188423 /nfs/dbraw/zinc/18/84/23/511188423.db2.gz CXRSEXMNEWQTMX-NJYVYQBISA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@@H]1CC[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000362399959 511188427 /nfs/dbraw/zinc/18/84/27/511188427.db2.gz CXRSEXMNEWQTMX-NJYVYQBISA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@@H]1CC[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000362399959 511188430 /nfs/dbraw/zinc/18/84/30/511188430.db2.gz CXRSEXMNEWQTMX-NJYVYQBISA-N 2 3 350.595 2.741 20 0 FFADHP COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000423405447 514131875 /nfs/dbraw/zinc/13/18/75/514131875.db2.gz JGIFLVKXUMLPHJ-BHIFYINESA-N 2 3 371.569 2.893 20 0 FFADHP c1c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc2c1C[NH2+]CC2 ZINC000904471309 736253980 /nfs/dbraw/zinc/25/39/80/736253980.db2.gz HATIFJWDBRWSIZ-YLJYHZDGSA-N 2 3 355.507 2.739 20 0 FFADHP CC(C)N(C)C[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000394036862 970558451 /nfs/dbraw/zinc/55/84/51/970558451.db2.gz VGPLRBRAJLWKOY-NRFANRHFSA-N 2 3 359.558 2.676 20 0 FFADHP CC(C)N(C)C[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000394036862 970558455 /nfs/dbraw/zinc/55/84/55/970558455.db2.gz VGPLRBRAJLWKOY-NRFANRHFSA-N 2 3 359.558 2.676 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886541372 1008727330 /nfs/dbraw/zinc/72/73/30/1008727330.db2.gz VGKPKUYHKJCJGN-BDTNDASRSA-N 2 3 371.569 2.864 20 0 FFADHP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000925843603 1017868023 /nfs/dbraw/zinc/86/80/23/1017868023.db2.gz FWMOWKASYBMCTD-IFMALSPDSA-N 2 3 358.574 2.562 20 0 FFADHP c1ccc(N2CC[NH2+]CC2)c(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375134 1038061955 /nfs/dbraw/zinc/06/19/55/1038061955.db2.gz XBNUPTXPAGLSHH-LJQANCHMSA-N 2 3 356.558 2.840 20 0 FFADHP FC(F)(F)c1ccc(C2(N[C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[NH2+]CC2)cc1 ZINC001246420050 1039347781 /nfs/dbraw/zinc/34/77/81/1039347781.db2.gz DUMQUKNMVFTUTL-HALDLXJZSA-N 2 3 353.432 2.872 20 0 FFADHP FC(F)(F)c1ccc(C2(N[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[NH2+]CC2)cc1 ZINC001246420053 1039348823 /nfs/dbraw/zinc/34/88/23/1039348823.db2.gz DUMQUKNMVFTUTL-XOIINTDNSA-N 2 3 353.432 2.872 20 0 FFADHP COc1ccccc1CC1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246423736 1039350168 /nfs/dbraw/zinc/35/01/68/1039350168.db2.gz ABJHXQUACADTTO-LJQANCHMSA-N 2 3 357.542 2.872 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393093 /nfs/dbraw/zinc/39/30/93/1045393093.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393069 /nfs/dbraw/zinc/39/30/69/1045393069.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393073 /nfs/dbraw/zinc/39/30/73/1045393073.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393079 /nfs/dbraw/zinc/39/30/79/1045393079.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393083 /nfs/dbraw/zinc/39/30/83/1045393083.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393088 /nfs/dbraw/zinc/39/30/88/1045393088.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393097 /nfs/dbraw/zinc/39/30/97/1045393097.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC001320340460 1045393103 /nfs/dbraw/zinc/39/31/03/1045393103.db2.gz LKXFFIHFXKUYOF-XSDIEEQYSA-N 2 3 352.611 2.701 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000430932883 513785380 /nfs/dbraw/zinc/78/53/80/513785380.db2.gz GQTDKYPJGKKSCA-UHFFFAOYSA-N 2 3 356.558 2.794 20 0 FFADHP CCOC(=O)C1([C@@H](C)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096074 514039603 /nfs/dbraw/zinc/03/96/03/514039603.db2.gz NZDLDGBRPGTWBT-MJGOQNOKSA-N 2 3 365.562 2.695 20 0 FFADHP CCOC(=O)C1([C@@H](C)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096074 514039609 /nfs/dbraw/zinc/03/96/09/514039609.db2.gz NZDLDGBRPGTWBT-MJGOQNOKSA-N 2 3 365.562 2.695 20 0 FFADHP COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000423405139 514131757 /nfs/dbraw/zinc/13/17/57/514131757.db2.gz JGIFLVKXUMLPHJ-BHDDXSALSA-N 2 3 371.569 2.893 20 0 FFADHP COCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC[NH2+]CC1 ZINC000414975871 514382685 /nfs/dbraw/zinc/38/26/85/514382685.db2.gz OOWCSQUOXADQNO-QHAWAJNXSA-N 2 3 357.542 2.503 20 0 FFADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000925548249 1017781175 /nfs/dbraw/zinc/78/11/75/1017781175.db2.gz AZFBMKUIRZYPJB-CZYKHXBRSA-N 2 3 371.569 2.798 20 0 FFADHP OC1(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941863 1025232719 /nfs/dbraw/zinc/23/27/19/1025232719.db2.gz YXFGHSANWLRUCM-SFTDATJTSA-N 2 3 357.542 2.620 20 0 FFADHP OC1(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941863 1025232723 /nfs/dbraw/zinc/23/27/23/1025232723.db2.gz YXFGHSANWLRUCM-SFTDATJTSA-N 2 3 357.542 2.620 20 0 FFADHP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246391260 1039332517 /nfs/dbraw/zinc/33/25/17/1039332517.db2.gz VMKXWTLBDFULNL-BJWYYQGGSA-N 2 3 367.459 2.958 20 0 FFADHP c1ccc([C@@]23CCNC[C@@H]2C[N@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671651 1039433860 /nfs/dbraw/zinc/43/38/60/1039433860.db2.gz IFQDNTFJEYFQAA-PLYUQDFWSA-N 2 3 369.553 2.541 20 0 FFADHP c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](C2CCC4(CC2)C[NH2+]CCO4)CC3)cc1 ZINC001246671651 1039433861 /nfs/dbraw/zinc/43/38/61/1039433861.db2.gz IFQDNTFJEYFQAA-PLYUQDFWSA-N 2 3 369.553 2.541 20 0 FFADHP COc1ccc(C[N@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)cc1F ZINC001246957436 1039548804 /nfs/dbraw/zinc/54/88/04/1039548804.db2.gz AAGKQILDXATYNG-UHFFFAOYSA-N 2 3 361.505 2.921 20 0 FFADHP COc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)cc1F ZINC001246957436 1039548822 /nfs/dbraw/zinc/54/88/22/1039548822.db2.gz AAGKQILDXATYNG-UHFFFAOYSA-N 2 3 361.505 2.921 20 0 FFADHP COc1ccc(CN(C2CC[NH2+]CC2)C2CCC3(C[NH2+]C3)CC2)cc1F ZINC001246957436 1039548836 /nfs/dbraw/zinc/54/88/36/1039548836.db2.gz AAGKQILDXATYNG-UHFFFAOYSA-N 2 3 361.505 2.921 20 0 FFADHP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849066059 1055621782 /nfs/dbraw/zinc/62/17/82/1055621782.db2.gz SZBQUAHQLKHWJZ-FQEVSTJZSA-N 2 3 371.573 2.885 20 0 FFADHP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849066059 1055621785 /nfs/dbraw/zinc/62/17/85/1055621785.db2.gz SZBQUAHQLKHWJZ-FQEVSTJZSA-N 2 3 371.573 2.885 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000272612606 252080845 /nfs/dbraw/zinc/08/08/45/252080845.db2.gz WPTJXYXLEDLZLW-BHIFYINESA-N 2 3 371.569 2.722 20 0 FFADHP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCN3CCCCC3)CC2)CC1 ZINC000372879066 513087240 /nfs/dbraw/zinc/08/72/40/513087240.db2.gz PIEGZKRIQQPMAX-UHFFFAOYSA-N 2 3 364.622 2.991 20 0 FFADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCN3CCCCC3)CC2)CC1 ZINC000372879066 513087246 /nfs/dbraw/zinc/08/72/46/513087246.db2.gz PIEGZKRIQQPMAX-UHFFFAOYSA-N 2 3 364.622 2.991 20 0 FFADHP CN(CCC[NH+]1CCCCC1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372879066 513087249 /nfs/dbraw/zinc/08/72/49/513087249.db2.gz PIEGZKRIQQPMAX-UHFFFAOYSA-N 2 3 364.622 2.991 20 0 FFADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422741079 513919142 /nfs/dbraw/zinc/91/91/42/513919142.db2.gz NSXSBHHQFFABDD-INIZCTEOSA-N 2 3 356.514 2.682 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000422818233 513942281 /nfs/dbraw/zinc/94/22/81/513942281.db2.gz FSHPEHVANKQCJK-KRWDZBQOSA-N 2 3 365.562 2.695 20 0 FFADHP CCOC(=O)C1([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000422818233 513942287 /nfs/dbraw/zinc/94/22/87/513942287.db2.gz FSHPEHVANKQCJK-KRWDZBQOSA-N 2 3 365.562 2.695 20 0 FFADHP c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193481 514076912 /nfs/dbraw/zinc/07/69/12/514076912.db2.gz WNMRYHMDOBJCPT-YTFSRNRJSA-N 2 3 370.585 2.562 20 0 FFADHP Cc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000676876598 1016035743 /nfs/dbraw/zinc/03/57/43/1016035743.db2.gz VERUPGVNOPNHOR-QGFMHUBQSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000676876598 1016035753 /nfs/dbraw/zinc/03/57/53/1016035753.db2.gz VERUPGVNOPNHOR-QGFMHUBQSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000676876598 1016035764 /nfs/dbraw/zinc/03/57/64/1016035764.db2.gz VERUPGVNOPNHOR-QGFMHUBQSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000676876598 1016035732 /nfs/dbraw/zinc/03/57/32/1016035732.db2.gz VERUPGVNOPNHOR-QGFMHUBQSA-N 2 3 370.545 2.862 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC[C@@H]32)cc1 ZINC000903755769 1016178657 /nfs/dbraw/zinc/17/86/57/1016178657.db2.gz LKPNWDFGBBXKEQ-LDVJMBRRSA-N 2 3 369.553 2.742 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC[C@@H]32)cc1 ZINC000903755769 1016178664 /nfs/dbraw/zinc/17/86/64/1016178664.db2.gz LKPNWDFGBBXKEQ-LDVJMBRRSA-N 2 3 369.553 2.742 20 0 FFADHP c1ccc([C@@H]2C[C@@H](NCc3ccc(CN4CC[NH2+]CC4)cc3)CC[NH2+]2)cc1 ZINC000925817035 1017860615 /nfs/dbraw/zinc/86/06/15/1017860615.db2.gz MGQQJBCVURKIOY-GOTSBHOMSA-N 2 3 364.537 2.675 20 0 FFADHP c1cc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001222168183 1032798651 /nfs/dbraw/zinc/79/86/51/1032798651.db2.gz WRCYVODIWOPZAT-QFIPXVFZSA-N 2 3 356.558 2.842 20 0 FFADHP c1cc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236376624 1038060754 /nfs/dbraw/zinc/06/07/54/1038060754.db2.gz ULPHVSMNUOZXIF-FQEVSTJZSA-N 2 3 356.558 2.840 20 0 FFADHP c1cc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236376624 1038060772 /nfs/dbraw/zinc/06/07/72/1038060772.db2.gz ULPHVSMNUOZXIF-FQEVSTJZSA-N 2 3 356.558 2.840 20 0 FFADHP C[NH2+]C1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CC[NH2+]CC3)CC1 ZINC001246124400 1039251568 /nfs/dbraw/zinc/25/15/68/1039251568.db2.gz WUAYUPFIRDHTSK-HWELCPFYSA-N 3 3 370.585 2.608 20 0 FFADHP CN(C)CC[NH2+][C@@]12CC[C@@](NCC3(C[NH+](C)C)CCCC3)(C1)CCC2 ZINC001279491167 1043178198 /nfs/dbraw/zinc/17/81/98/1043178198.db2.gz DZFDFIWHXMDQLJ-LEWJYISDSA-N 2 3 350.595 2.695 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989232 1055477534 /nfs/dbraw/zinc/47/75/34/1055477534.db2.gz HPLCGWNVHVYCHC-SESVDKBCSA-N 2 3 371.573 2.885 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989232 1055477537 /nfs/dbraw/zinc/47/75/37/1055477537.db2.gz HPLCGWNVHVYCHC-SESVDKBCSA-N 2 3 371.573 2.885 20 0 FFADHP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000124377194 508823407 /nfs/dbraw/zinc/82/34/07/508823407.db2.gz IBVMZKCJDIUHLA-UHFFFAOYSA-N 2 3 372.601 2.557 20 0 FFADHP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913641 510133852 /nfs/dbraw/zinc/13/38/52/510133852.db2.gz NIUSLFMLSMQGFA-AZUAARDMSA-N 2 3 363.546 2.515 20 0 FFADHP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913641 510133857 /nfs/dbraw/zinc/13/38/57/510133857.db2.gz NIUSLFMLSMQGFA-AZUAARDMSA-N 2 3 363.546 2.515 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415014282 514402347 /nfs/dbraw/zinc/40/23/47/514402347.db2.gz WJNRBJFSDJNJCJ-LEWJYISDSA-N 2 3 356.558 2.696 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513346886 516579877 /nfs/dbraw/zinc/57/98/77/516579877.db2.gz ZQOGPTDCCIANHM-QUCCMNQESA-N 2 3 351.579 2.854 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513346886 516579887 /nfs/dbraw/zinc/57/98/87/516579887.db2.gz ZQOGPTDCCIANHM-QUCCMNQESA-N 2 3 351.579 2.854 20 0 FFADHP C[C@@H]1CC(N2CCN(CCCC[NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036430 971155300 /nfs/dbraw/zinc/15/53/00/971155300.db2.gz WOWSFJNYNFNZPI-WOJBJXKFSA-N 2 3 358.574 2.785 20 0 FFADHP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4CC5(CO4)CC[NH2+]CC5)C[C@H]3C2)cc1 ZINC000903785350 1016199668 /nfs/dbraw/zinc/19/96/68/1016199668.db2.gz YLBFYBCFHQMMPC-BDTNDASRSA-N 2 3 369.553 2.599 20 0 FFADHP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4CC5(CO4)CC[NH2+]CC5)C[C@H]3C2)cc1 ZINC000903785350 1016199674 /nfs/dbraw/zinc/19/96/74/1016199674.db2.gz YLBFYBCFHQMMPC-BDTNDASRSA-N 2 3 369.553 2.599 20 0 FFADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886538767 1008726057 /nfs/dbraw/zinc/72/60/57/1008726057.db2.gz NOYLWENCYVCZNP-MYGLTJDJSA-N 2 3 359.558 2.986 20 0 FFADHP C[C@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171767165 1011462612 /nfs/dbraw/zinc/46/26/12/1011462612.db2.gz KYUIDLCBQHNGDK-NZQKXSOJSA-N 2 3 370.585 2.609 20 0 FFADHP C[C@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171767165 1011462616 /nfs/dbraw/zinc/46/26/16/1011462616.db2.gz KYUIDLCBQHNGDK-NZQKXSOJSA-N 2 3 370.585 2.609 20 0 FFADHP [NH3+]CCCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172080006 1011614995 /nfs/dbraw/zinc/61/49/95/1011614995.db2.gz RZUZVYBKWWZHPD-JKHIJQBDSA-N 2 3 370.585 2.929 20 0 FFADHP [NH3+]CCCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172080006 1011615005 /nfs/dbraw/zinc/61/50/05/1011615005.db2.gz RZUZVYBKWWZHPD-JKHIJQBDSA-N 2 3 370.585 2.929 20 0 FFADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001160626903 1027778922 /nfs/dbraw/zinc/77/89/22/1027778922.db2.gz CLGYECNAGIAZLK-NHCUHLMSSA-N 2 3 374.573 2.602 20 0 FFADHP CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207435823 1037440865 /nfs/dbraw/zinc/44/08/65/1037440865.db2.gz WPYWBJSZGSGBCR-GOSISDBHSA-N 2 3 363.571 2.803 20 0 FFADHP CCCCN1CCC([N@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001236850134 1038310485 /nfs/dbraw/zinc/31/04/85/1038310485.db2.gz ZGAFCFGJBYVEMI-UHFFFAOYSA-N 2 3 358.574 2.788 20 0 FFADHP CCCCN1CCC([N@@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001236850134 1038310492 /nfs/dbraw/zinc/31/04/92/1038310492.db2.gz ZGAFCFGJBYVEMI-UHFFFAOYSA-N 2 3 358.574 2.788 20 0 FFADHP COc1ccccc1CC1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246423730 1039350760 /nfs/dbraw/zinc/35/07/60/1039350760.db2.gz ABJHXQUACADTTO-IBGZPJMESA-N 2 3 357.542 2.872 20 0 FFADHP c1ccc(C[C@H]2C[C@H]([NH2+]CC3(c4ccccn4)CC[NH2+]CC3)CCN2)cc1 ZINC001246425411 1039351285 /nfs/dbraw/zinc/35/12/85/1039351285.db2.gz BHIHSVJWTMLLSO-RTWAWAEBSA-N 2 3 364.537 2.656 20 0 FFADHP c1ccc(C[C@H]2C[C@H]([NH+]3CCC(OC4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC001246667238 1039431632 /nfs/dbraw/zinc/43/16/32/1039431632.db2.gz YQYADGKBVDPHEA-VQTJNVASSA-N 2 3 357.542 2.583 20 0 FFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCNCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254048408 1040548797 /nfs/dbraw/zinc/54/87/97/1040548797.db2.gz MMVVKBXTEHFAKM-OYRHEFFESA-N 2 3 373.585 2.971 20 0 FFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCNCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254048408 1040548815 /nfs/dbraw/zinc/54/88/15/1040548815.db2.gz MMVVKBXTEHFAKM-OYRHEFFESA-N 2 3 373.585 2.971 20 0 FFADHP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000415048948 514416177 /nfs/dbraw/zinc/41/61/77/514416177.db2.gz GTNNBJHHDBNKGF-XXDDBKGRSA-N 2 3 370.585 2.846 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513346885 516578997 /nfs/dbraw/zinc/57/89/97/516578997.db2.gz ZQOGPTDCCIANHM-ICSRJNTNSA-N 2 3 351.579 2.854 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513346885 516579005 /nfs/dbraw/zinc/57/90/05/516579005.db2.gz ZQOGPTDCCIANHM-ICSRJNTNSA-N 2 3 351.579 2.854 20 0 FFADHP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886524473 1008720029 /nfs/dbraw/zinc/72/00/29/1008720029.db2.gz LCSXFPNTCGROEK-ZRBLBEILSA-N 2 3 370.585 2.657 20 0 FFADHP C[N@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886524473 1008720038 /nfs/dbraw/zinc/72/00/38/1008720038.db2.gz LCSXFPNTCGROEK-ZRBLBEILSA-N 2 3 370.585 2.657 20 0 FFADHP [NH3+]C12CC(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CCNCC4)(C1)C2 ZINC001222575255 1033057116 /nfs/dbraw/zinc/05/71/16/1033057116.db2.gz MCRGANPGAIUIDZ-MWXLCCTBSA-N 2 3 355.526 2.671 20 0 FFADHP [NH3+]C12CC(C[N@H+]3[C@H](COCc4ccccc4)CCC34CCNCC4)(C1)C2 ZINC001222575255 1033057124 /nfs/dbraw/zinc/05/71/24/1033057124.db2.gz MCRGANPGAIUIDZ-MWXLCCTBSA-N 2 3 355.526 2.671 20 0 FFADHP Cc1ccc(CN(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723253 1038218794 /nfs/dbraw/zinc/21/87/94/1038218794.db2.gz RIRUKDLMVSVTHA-MXVIHJGJSA-N 2 3 367.541 2.609 20 0 FFADHP C[NH2+]CC[C@@H](C)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001246189349 1039269900 /nfs/dbraw/zinc/26/99/00/1039269900.db2.gz CJZPNAJZKNOZSV-PVSGBFIBSA-N 2 3 369.553 2.506 20 0 FFADHP c1ccc([C@H]2C[C@@H](NCc3cccc(N4CC[NH2+]CC4)c3)CC[NH2+]2)cc1 ZINC001246345922 1039320147 /nfs/dbraw/zinc/32/01/47/1039320147.db2.gz LGCHNDSIBXZORW-RBBKRZOGSA-N 2 3 350.510 2.679 20 0 FFADHP Cc1nccn1CCC[N@@H+](C)[C@@H]1CCC[NH+](CCCn2ccnc2C)CC1 ZINC000127612340 508476118 /nfs/dbraw/zinc/47/61/18/508476118.db2.gz AUBZZTVTUORRLA-OAQYLSRUSA-N 2 3 372.561 2.963 20 0 FFADHP Cc1nccn1CCC[N@H+](C)[C@@H]1CCC[NH+](CCCn2ccnc2C)CC1 ZINC000127612340 508476121 /nfs/dbraw/zinc/47/61/21/508476121.db2.gz AUBZZTVTUORRLA-OAQYLSRUSA-N 2 3 372.561 2.963 20 0 FFADHP Cc1nccn1CCC[NH+](C)[C@@H]1CCC[N@H+](CCCn2ccnc2C)CC1 ZINC000127612340 508476127 /nfs/dbraw/zinc/47/61/27/508476127.db2.gz AUBZZTVTUORRLA-OAQYLSRUSA-N 2 3 372.561 2.963 20 0 FFADHP Cc1nccn1CCC[NH+](C)[C@@H]1CCC[N@@H+](CCCn2ccnc2C)CC1 ZINC000127612340 508476131 /nfs/dbraw/zinc/47/61/31/508476131.db2.gz AUBZZTVTUORRLA-OAQYLSRUSA-N 2 3 372.561 2.963 20 0 FFADHP C[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000268852148 510100378 /nfs/dbraw/zinc/10/03/78/510100378.db2.gz HKYIGGFTVXFGPP-NFBKMPQASA-N 2 3 372.601 2.903 20 0 FFADHP c1cc(N2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)ccn1 ZINC000294256369 511005086 /nfs/dbraw/zinc/00/50/86/511005086.db2.gz QLDLXYTUXHRPMP-UHFFFAOYSA-N 2 3 351.498 2.952 20 0 FFADHP c1cc(N2CCC(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)ccn1 ZINC000294256369 511005090 /nfs/dbraw/zinc/00/50/90/511005090.db2.gz QLDLXYTUXHRPMP-UHFFFAOYSA-N 2 3 351.498 2.952 20 0 FFADHP CN(c1ccccc1CN1CCC(OCCC[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000435376736 513568853 /nfs/dbraw/zinc/56/88/53/513568853.db2.gz UIFHCOHKMSLWRZ-UHFFFAOYSA-N 2 3 374.573 2.547 20 0 FFADHP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000562961960 517534801 /nfs/dbraw/zinc/53/48/01/517534801.db2.gz KUCZZWNIROHIOQ-FDFHNCONSA-N 2 3 370.585 2.880 20 0 FFADHP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000562961956 517535594 /nfs/dbraw/zinc/53/55/94/517535594.db2.gz KUCZZWNIROHIOQ-BHDDXSALSA-N 2 3 370.585 2.880 20 0 FFADHP C[N@H+](CCN1CCN(CCCC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000649412391 1013409224 /nfs/dbraw/zinc/40/92/24/1013409224.db2.gz HTXJPKUMMMGMLX-UHFFFAOYSA-N 2 3 358.574 2.516 20 0 FFADHP C[N@@H+](CCN1CCN(CCCC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000649412391 1013409230 /nfs/dbraw/zinc/40/92/30/1013409230.db2.gz HTXJPKUMMMGMLX-UHFFFAOYSA-N 2 3 358.574 2.516 20 0 FFADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001218823587 1033360772 /nfs/dbraw/zinc/36/07/72/1033360772.db2.gz ULSLNXMAMVIYES-FQEVSTJZSA-N 2 3 360.546 2.930 20 0 FFADHP Brc1ccc(C2(N[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[NH2+]CC2)cc1 ZINC001246185433 1039268942 /nfs/dbraw/zinc/26/89/42/1039268942.db2.gz UWHCXBNPQINNJX-XOIINTDNSA-N 2 3 364.331 2.615 20 0 FFADHP COc1cccc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246374045 1039328137 /nfs/dbraw/zinc/32/81/37/1039328137.db2.gz DYOGNYAOPXNJJD-PZJWPPBQSA-N 2 3 357.542 2.872 20 0 FFADHP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001560704241 1076292927 /nfs/dbraw/zinc/29/29/27/1076292927.db2.gz AXRBRBUFFRLAFP-QFIPXVFZSA-N 2 3 357.542 2.607 20 0 FFADHP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001560704241 1076292932 /nfs/dbraw/zinc/29/29/32/1076292932.db2.gz AXRBRBUFFRLAFP-QFIPXVFZSA-N 2 3 357.542 2.607 20 0 FFADHP CCOC(=O)C1([C@H](C)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096072 514039798 /nfs/dbraw/zinc/03/97/98/514039798.db2.gz NZDLDGBRPGTWBT-HKUYNNGSSA-N 2 3 365.562 2.695 20 0 FFADHP CCOC(=O)C1([C@H](C)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC000423096072 514039803 /nfs/dbraw/zinc/03/98/03/514039803.db2.gz NZDLDGBRPGTWBT-HKUYNNGSSA-N 2 3 365.562 2.695 20 0 FFADHP C[C@@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000415048945 514416520 /nfs/dbraw/zinc/41/65/20/514416520.db2.gz GTNNBJHHDBNKGF-DNJQPREOSA-N 2 3 370.585 2.846 20 0 FFADHP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655703816 961115482 /nfs/dbraw/zinc/11/54/82/961115482.db2.gz VYOVATYSEDBHPL-UNMCSNQZSA-N 2 3 357.542 2.742 20 0 FFADHP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655703816 961115497 /nfs/dbraw/zinc/11/54/97/961115497.db2.gz VYOVATYSEDBHPL-UNMCSNQZSA-N 2 3 357.542 2.742 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145743 1006531994 /nfs/dbraw/zinc/53/19/94/1006531994.db2.gz CZPLZUBNRHRSNJ-VSKRKVRLSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145743 1006532003 /nfs/dbraw/zinc/53/20/03/1006532003.db2.gz CZPLZUBNRHRSNJ-VSKRKVRLSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[NH+](C)C2)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145743 1006532009 /nfs/dbraw/zinc/53/20/09/1006532009.db2.gz CZPLZUBNRHRSNJ-VSKRKVRLSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@]2(C1)CCC[NH+](C)C2)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145743 1006532017 /nfs/dbraw/zinc/53/20/17/1006532017.db2.gz CZPLZUBNRHRSNJ-VSKRKVRLSA-N 2 3 362.606 2.600 20 0 FFADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526121 1008719924 /nfs/dbraw/zinc/71/99/24/1008719924.db2.gz FOWJBIIUYICEPX-MLCQCVOFSA-N 2 3 371.569 2.866 20 0 FFADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526121 1008719962 /nfs/dbraw/zinc/71/99/62/1008719962.db2.gz FOWJBIIUYICEPX-MLCQCVOFSA-N 2 3 371.569 2.866 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844293 1017868820 /nfs/dbraw/zinc/86/88/20/1017868820.db2.gz JLFDKFFXGQNHKS-IFMALSPDSA-N 2 3 358.574 2.562 20 0 FFADHP C[NH+]1CCC(O)(C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000638681630 1025931742 /nfs/dbraw/zinc/93/17/42/1025931742.db2.gz LEIDAAQOPBIFGJ-JOCHJYFZSA-N 2 3 373.585 2.971 20 0 FFADHP C[NH+](C)Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254048817 1040550650 /nfs/dbraw/zinc/55/06/50/1040550650.db2.gz YOMGHEPDVJXMIB-UHFFFAOYSA-N 2 3 367.537 2.865 20 0 FFADHP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274977971 512005369 /nfs/dbraw/zinc/00/53/69/512005369.db2.gz YURBIQKNOQSMSN-PZJWPPBQSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@H](NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977971 512005374 /nfs/dbraw/zinc/00/53/74/512005374.db2.gz YURBIQKNOQSMSN-PZJWPPBQSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@H](NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274977971 512005378 /nfs/dbraw/zinc/00/53/78/512005378.db2.gz YURBIQKNOQSMSN-PZJWPPBQSA-N 2 3 358.574 2.513 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000435391168 513573943 /nfs/dbraw/zinc/57/39/43/513573943.db2.gz VOOLMUBLPUSFBJ-UHFFFAOYSA-N 2 3 374.573 2.548 20 0 FFADHP Cc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000676876596 1016036687 /nfs/dbraw/zinc/03/66/87/1016036687.db2.gz VERUPGVNOPNHOR-MKXGPGLRSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000676876596 1016036700 /nfs/dbraw/zinc/03/67/00/1016036700.db2.gz VERUPGVNOPNHOR-MKXGPGLRSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000676876596 1016036707 /nfs/dbraw/zinc/03/67/07/1016036707.db2.gz VERUPGVNOPNHOR-MKXGPGLRSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000676876596 1016036715 /nfs/dbraw/zinc/03/67/15/1016036715.db2.gz VERUPGVNOPNHOR-MKXGPGLRSA-N 2 3 370.545 2.862 20 0 FFADHP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849109160 1056764639 /nfs/dbraw/zinc/76/46/39/1056764639.db2.gz XMMZEQJAQJSQGB-UHFFFAOYSA-N 2 3 369.557 2.639 20 0 FFADHP CC(C)N1CCC([N@H+](C)CCCN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000077274163 508294165 /nfs/dbraw/zinc/29/41/65/508294165.db2.gz XFWKDJKDRCTXJP-UHFFFAOYSA-N 2 3 352.611 2.986 20 0 FFADHP CC(C)N1CCC([N@@H+](C)CCCN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000077274163 508294167 /nfs/dbraw/zinc/29/41/67/508294167.db2.gz XFWKDJKDRCTXJP-UHFFFAOYSA-N 2 3 352.611 2.986 20 0 FFADHP CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)CC1CC[NH+](C)CC1 ZINC000879703374 732754417 /nfs/dbraw/zinc/75/44/17/732754417.db2.gz JZHZITROHZTBJT-UHFFFAOYSA-N 2 3 352.611 2.702 20 0 FFADHP CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)CC1CC[NH+](C)CC1 ZINC000879703374 732754419 /nfs/dbraw/zinc/75/44/19/732754419.db2.gz JZHZITROHZTBJT-UHFFFAOYSA-N 2 3 352.611 2.702 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc2)CC1 ZINC001168298178 982714361 /nfs/dbraw/zinc/71/43/61/982714361.db2.gz CPPAJIBFWMFJJX-UHFFFAOYSA-N 2 3 358.574 2.787 20 0 FFADHP c1cc(CN2CC[NH2+]CC2)cc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161906 1032795660 /nfs/dbraw/zinc/79/56/60/1032795660.db2.gz SQEWGLUARBMAEI-HSZRJFAPSA-N 2 3 370.585 2.838 20 0 FFADHP C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499888 1020240340 /nfs/dbraw/zinc/24/03/40/1020240340.db2.gz LBFQHCWKBJQLNN-RAWXMELESA-N 2 3 351.494 2.790 20 0 FFADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]CC3(c4ccccn4)CC[NH2+]CC3)CCN2)cc1 ZINC001246425409 1039350275 /nfs/dbraw/zinc/35/02/75/1039350275.db2.gz BHIHSVJWTMLLSO-LEWJYISDSA-N 2 3 364.537 2.656 20 0 FFADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1)C2 ZINC001246496476 1039372742 /nfs/dbraw/zinc/37/27/42/1039372742.db2.gz PZROLGSQTCRJKT-MXEMCNAFSA-N 2 3 373.541 2.832 20 0 FFADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1)C2 ZINC001246496476 1039372752 /nfs/dbraw/zinc/37/27/52/1039372752.db2.gz PZROLGSQTCRJKT-MXEMCNAFSA-N 2 3 373.541 2.832 20 0 FFADHP CC(CN1CCC(C)([NH+]2CCC2)CC1)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC001262021649 1041515849 /nfs/dbraw/zinc/51/58/49/1041515849.db2.gz MWKSDFMYNWBGGO-UHFFFAOYSA-N 2 3 362.606 2.743 20 0 FFADHP c1cn(CC[N@H+]2CCC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cn1 ZINC001279275303 1042978721 /nfs/dbraw/zinc/97/87/21/1042978721.db2.gz JXCCGHVTGIXMNX-UHFFFAOYSA-N 2 3 359.562 2.547 20 0 FFADHP c1cn(CC[N@@H+]2CCC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cn1 ZINC001279275303 1042978722 /nfs/dbraw/zinc/97/87/22/1042978722.db2.gz JXCCGHVTGIXMNX-UHFFFAOYSA-N 2 3 359.562 2.547 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989230 1055477449 /nfs/dbraw/zinc/47/74/49/1055477449.db2.gz HPLCGWNVHVYCHC-HLAWJBBLSA-N 2 3 371.573 2.885 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989230 1055477453 /nfs/dbraw/zinc/47/74/53/1055477453.db2.gz HPLCGWNVHVYCHC-HLAWJBBLSA-N 2 3 371.573 2.885 20 0 FFADHP C(CN1CCC(C[NH+]2CCCC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000114718590 508340588 /nfs/dbraw/zinc/34/05/88/508340588.db2.gz OWZVHIMAINTNBZ-UHFFFAOYSA-N 2 3 362.606 2.602 20 0 FFADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000248402301 509297403 /nfs/dbraw/zinc/29/74/03/509297403.db2.gz NBMJXZDUUPNIGQ-XPWALMASSA-N 2 3 371.569 2.581 20 0 FFADHP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164188 509787144 /nfs/dbraw/zinc/78/71/44/509787144.db2.gz JVBUXWVRDAYECV-RJGXRXQPSA-N 2 3 370.585 2.514 20 0 FFADHP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164188 509787155 /nfs/dbraw/zinc/78/71/55/509787155.db2.gz JVBUXWVRDAYECV-RJGXRXQPSA-N 2 3 370.585 2.514 20 0 FFADHP C[C@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269002351 510186682 /nfs/dbraw/zinc/18/66/82/510186682.db2.gz VBBZHEWJGWEBND-FPOVZHCZSA-N 2 3 358.574 2.655 20 0 FFADHP C[C@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269002351 510186686 /nfs/dbraw/zinc/18/66/86/510186686.db2.gz VBBZHEWJGWEBND-FPOVZHCZSA-N 2 3 358.574 2.655 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000503070739 514907553 /nfs/dbraw/zinc/90/75/53/514907553.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000503070739 514907562 /nfs/dbraw/zinc/90/75/62/514907562.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000503070739 514907572 /nfs/dbraw/zinc/90/75/72/514907572.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000503070739 514907579 /nfs/dbraw/zinc/90/75/79/514907579.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CC[C@@H]1CCCN1C ZINC000503070739 514907590 /nfs/dbraw/zinc/90/75/90/514907590.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1CC[C@@H]1CCCN1C ZINC000503070739 514907600 /nfs/dbraw/zinc/90/76/00/514907600.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000503070739 514907608 /nfs/dbraw/zinc/90/76/08/514907608.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000503070739 514907614 /nfs/dbraw/zinc/90/76/14/514907614.db2.gz CRKLRFBODGTRRT-LRSLUSHPSA-N 2 3 364.622 2.987 20 0 FFADHP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000542820297 517763923 /nfs/dbraw/zinc/76/39/23/517763923.db2.gz YPYJXHYWISSWDQ-IRLDBZIGSA-N 2 3 358.574 2.514 20 0 FFADHP CN1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1c1ccccc1 ZINC000569108270 519382711 /nfs/dbraw/zinc/38/27/11/519382711.db2.gz NCWQVBMMLRRMAT-FGZHOGPDSA-N 2 3 358.574 2.685 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879576711 1015594126 /nfs/dbraw/zinc/59/41/26/1015594126.db2.gz DONPNERLZYMHGJ-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879576711 1015594132 /nfs/dbraw/zinc/59/41/32/1015594132.db2.gz DONPNERLZYMHGJ-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@H]2CN(CCCCCCN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879576711 1015594143 /nfs/dbraw/zinc/59/41/43/1015594143.db2.gz DONPNERLZYMHGJ-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@H]2CN(CCCCCCN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879576711 1015594155 /nfs/dbraw/zinc/59/41/55/1015594155.db2.gz DONPNERLZYMHGJ-CIAFKFPVSA-N 2 3 362.606 2.599 20 0 FFADHP c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647784380 1012582595 /nfs/dbraw/zinc/58/25/95/1012582595.db2.gz SEKCMTZEQVCQJB-YTFSRNRJSA-N 2 3 370.585 2.562 20 0 FFADHP OC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000925695121 1017818971 /nfs/dbraw/zinc/81/89/71/1017818971.db2.gz YVEROLLUQSPOOU-YADHBBJMSA-N 2 3 371.569 2.771 20 0 FFADHP [NH3+]C1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000925703351 1017821046 /nfs/dbraw/zinc/82/10/46/1017821046.db2.gz DIUMXUMDYRXXFR-FCHUYYIVSA-N 2 3 370.585 2.738 20 0 FFADHP c1ccc([C@@H]2C[C@@H](NCc3cccc(N4CC[NH2+]CC4)c3)CC[NH2+]2)cc1 ZINC001246345931 1039319589 /nfs/dbraw/zinc/31/95/89/1039319589.db2.gz LGCHNDSIBXZORW-UNMCSNQZSA-N 2 3 350.510 2.679 20 0 FFADHP COC(=O)c1cccc(C[N@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246959873 1039549597 /nfs/dbraw/zinc/54/95/97/1039549597.db2.gz UBMDYAICPPOKAC-UHFFFAOYSA-N 2 3 371.525 2.559 20 0 FFADHP COC(=O)c1cccc(C[N@@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246959873 1039549614 /nfs/dbraw/zinc/54/96/14/1039549614.db2.gz UBMDYAICPPOKAC-UHFFFAOYSA-N 2 3 371.525 2.559 20 0 FFADHP C[C@H]1C[C@H](C)C[NH+](CCCNCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254048409 1040549303 /nfs/dbraw/zinc/54/93/03/1040549303.db2.gz MMVVKBXTEHFAKM-SFTDATJTSA-N 2 3 373.585 2.971 20 0 FFADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085484 1055633664 /nfs/dbraw/zinc/63/36/64/1055633664.db2.gz OINVHGANIGMZSN-SFTDATJTSA-N 2 3 371.573 2.887 20 0 FFADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085484 1055633674 /nfs/dbraw/zinc/63/36/74/1055633674.db2.gz OINVHGANIGMZSN-SFTDATJTSA-N 2 3 371.573 2.887 20 0 FFADHP C[C@@H]([NH3+])C1CCN(Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001576119918 1078198036 /nfs/dbraw/zinc/19/80/36/1078198036.db2.gz MWALCTSKPDVIKP-GFCCVEGCSA-N 2 3 355.429 2.629 20 0 FFADHP CCOCCCN1CC[C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)C1 ZINC001578107695 1078439960 /nfs/dbraw/zinc/43/99/60/1078439960.db2.gz HCIBSFYVTQSNRW-QAPCUYQASA-N 2 3 351.560 2.620 20 0 FFADHP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854572 510103504 /nfs/dbraw/zinc/10/35/04/510103504.db2.gz CRMFZXFEOPCLAP-ICSRJNTNSA-N 2 3 363.546 2.515 20 0 FFADHP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854572 510103515 /nfs/dbraw/zinc/10/35/15/510103515.db2.gz CRMFZXFEOPCLAP-ICSRJNTNSA-N 2 3 363.546 2.515 20 0 FFADHP CCOC(=O)C1([C@H](C)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422800433 513937752 /nfs/dbraw/zinc/93/77/52/513937752.db2.gz BRNOMQIVYQOOSN-KRWDZBQOSA-N 2 3 353.551 2.552 20 0 FFADHP CCOC(=O)C1([C@H](C)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000422800433 513937754 /nfs/dbraw/zinc/93/77/54/513937754.db2.gz BRNOMQIVYQOOSN-KRWDZBQOSA-N 2 3 353.551 2.552 20 0 FFADHP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3CN)cc2)C[C@H]1C ZINC000423019870 514009432 /nfs/dbraw/zinc/00/94/32/514009432.db2.gz XPZLCTGKCGUYII-BAYUQKDNSA-N 2 3 359.558 2.913 20 0 FFADHP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3CN)cc2)C[C@H]1C ZINC000423019870 514009442 /nfs/dbraw/zinc/00/94/42/514009442.db2.gz XPZLCTGKCGUYII-BAYUQKDNSA-N 2 3 359.558 2.913 20 0 FFADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414784436 514291507 /nfs/dbraw/zinc/29/15/07/514291507.db2.gz RFWPSEXWXKIJHT-WOJBJXKFSA-N 2 3 356.558 2.650 20 0 FFADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414784436 514291516 /nfs/dbraw/zinc/29/15/16/514291516.db2.gz RFWPSEXWXKIJHT-WOJBJXKFSA-N 2 3 356.558 2.650 20 0 FFADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137888 514463644 /nfs/dbraw/zinc/46/36/44/514463644.db2.gz UJMOZHQTTJJJBY-PZJWPPBQSA-N 2 3 358.574 2.880 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC[C@H]32)cc1 ZINC000903755768 1016178132 /nfs/dbraw/zinc/17/81/32/1016178132.db2.gz LKPNWDFGBBXKEQ-KAOXLYBCSA-N 2 3 369.553 2.742 20 0 FFADHP c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC[C@H]32)cc1 ZINC000903755768 1016178135 /nfs/dbraw/zinc/17/81/35/1016178135.db2.gz LKPNWDFGBBXKEQ-KAOXLYBCSA-N 2 3 369.553 2.742 20 0 FFADHP OC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000925695119 1017818494 /nfs/dbraw/zinc/81/84/94/1017818494.db2.gz YVEROLLUQSPOOU-VXKWHMMOSA-N 2 3 371.569 2.771 20 0 FFADHP C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499890 1020240052 /nfs/dbraw/zinc/24/00/52/1020240052.db2.gz LBFQHCWKBJQLNN-VRBBWPEWSA-N 2 3 351.494 2.790 20 0 FFADHP CC[N@H+]1CC=C(c2cnc(NCC3(N(C)C)CC[NH+](C)CC3)c(C)c2)CC1 ZINC001164211942 1029206534 /nfs/dbraw/zinc/20/65/34/1029206534.db2.gz WNFNDSKNGHVQRO-UHFFFAOYSA-N 2 3 371.573 2.937 20 0 FFADHP CC[N@@H+]1CC=C(c2cnc(NCC3(N(C)C)CC[NH+](C)CC3)c(C)c2)CC1 ZINC001164211942 1029206552 /nfs/dbraw/zinc/20/65/52/1029206552.db2.gz WNFNDSKNGHVQRO-UHFFFAOYSA-N 2 3 371.573 2.937 20 0 FFADHP CC(C)(C)C[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236456311 1038094566 /nfs/dbraw/zinc/09/45/66/1038094566.db2.gz BVOLECTZWPLMEO-UHFFFAOYSA-N 2 3 358.574 2.692 20 0 FFADHP CC(C)(C)C[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236456311 1038094585 /nfs/dbraw/zinc/09/45/85/1038094585.db2.gz BVOLECTZWPLMEO-UHFFFAOYSA-N 2 3 358.574 2.692 20 0 FFADHP COc1ccccc1CC1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246426538 1039351415 /nfs/dbraw/zinc/35/14/15/1039351415.db2.gz RANDJABGZHKRGO-UHFFFAOYSA-N 2 3 357.542 2.872 20 0 FFADHP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)CC1 ZINC000849067395 1055623284 /nfs/dbraw/zinc/62/32/84/1055623284.db2.gz AXFUBZORYZCVKG-LJQANCHMSA-N 2 3 371.573 2.885 20 0 FFADHP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173591709 509665123 /nfs/dbraw/zinc/66/51/23/509665123.db2.gz CGXQEZSBQMTVDG-SZPZYZBQSA-N 2 3 362.606 2.602 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC[NH2+]CC1 ZINC000423028357 514012696 /nfs/dbraw/zinc/01/26/96/514012696.db2.gz GEPKYCMQFYYDDJ-OKZBNKHCSA-N 2 3 365.562 2.550 20 0 FFADHP CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923506704 738293675 /nfs/dbraw/zinc/29/36/75/738293675.db2.gz KOJSYATUWNKKKO-FQEVSTJZSA-N 2 3 350.595 2.504 20 0 FFADHP CN(c1ccccc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000650709953 1014747415 /nfs/dbraw/zinc/74/74/15/1014747415.db2.gz ZBGFHQBTYCHSLW-UGKGYDQZSA-N 2 3 356.558 2.778 20 0 FFADHP CC1(C)[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925548252 1017781916 /nfs/dbraw/zinc/78/19/16/1017781916.db2.gz AZFBMKUIRZYPJB-YUMYIRISSA-N 2 3 371.569 2.798 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844299 1017867853 /nfs/dbraw/zinc/86/78/53/1017867853.db2.gz JLFDKFFXGQNHKS-RBBKRZOGSA-N 2 3 358.574 2.562 20 0 FFADHP OC1(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941850 1025232989 /nfs/dbraw/zinc/23/29/89/1025232989.db2.gz YXFGHSANWLRUCM-LEWJYISDSA-N 2 3 357.542 2.620 20 0 FFADHP OC1(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941850 1025232994 /nfs/dbraw/zinc/23/29/94/1025232994.db2.gz YXFGHSANWLRUCM-LEWJYISDSA-N 2 3 357.542 2.620 20 0 FFADHP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246003915 1039184878 /nfs/dbraw/zinc/18/48/78/1039184878.db2.gz XVBMBXSRPIICKK-YTFSRNRJSA-N 2 3 367.537 2.638 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001246003915 1039184883 /nfs/dbraw/zinc/18/48/83/1039184883.db2.gz XVBMBXSRPIICKK-YTFSRNRJSA-N 2 3 367.537 2.638 20 0 FFADHP COc1ccc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246377798 1039329011 /nfs/dbraw/zinc/32/90/11/1039329011.db2.gz MAVPNRAZFPTKNC-UHFFFAOYSA-N 2 3 357.542 2.872 20 0 FFADHP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)cc1 ZINC001246427436 1039349674 /nfs/dbraw/zinc/34/96/74/1039349674.db2.gz GPTRXAJCOJLXLA-VQFNDLOPSA-N 2 3 367.459 2.958 20 0 FFADHP FC(F)(F)c1ccccc1CC1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246432283 1039352455 /nfs/dbraw/zinc/35/24/55/1039352455.db2.gz HEPPWMYTJMAPRF-UHFFFAOYSA-N 2 3 355.448 2.959 20 0 FFADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414784430 514291199 /nfs/dbraw/zinc/29/11/99/514291199.db2.gz RFWPSEXWXKIJHT-PMACEKPBSA-N 2 3 356.558 2.650 20 0 FFADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414784430 514291200 /nfs/dbraw/zinc/29/12/00/514291200.db2.gz RFWPSEXWXKIJHT-PMACEKPBSA-N 2 3 356.558 2.650 20 0 FFADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137883 514463403 /nfs/dbraw/zinc/46/34/03/514463403.db2.gz UJMOZHQTTJJJBY-CTNGQTDRSA-N 2 3 358.574 2.880 20 0 FFADHP CN(CCCN(C)CC[C@H]1CCCC[N@@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000489424179 514841696 /nfs/dbraw/zinc/84/16/96/514841696.db2.gz PTZCHJSEJWQOES-NHCUHLMSSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCCN(C)CC[C@H]1CCCC[N@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000489424179 514841705 /nfs/dbraw/zinc/84/17/05/514841705.db2.gz PTZCHJSEJWQOES-NHCUHLMSSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[N@H+](C)CC[C@H]1CCCCN1C)CC[C@H]1CCCC[NH+]1C ZINC000489424179 514841718 /nfs/dbraw/zinc/84/17/18/514841718.db2.gz PTZCHJSEJWQOES-NHCUHLMSSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[N@@H+](C)CC[C@H]1CCCCN1C)CC[C@H]1CCCC[NH+]1C ZINC000489424179 514841731 /nfs/dbraw/zinc/84/17/31/514841731.db2.gz PTZCHJSEJWQOES-NHCUHLMSSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[NH+](C)CC[C@H]1CCCCN1C)CC[C@H]1CCCC[N@@H+]1C ZINC000489424179 514841742 /nfs/dbraw/zinc/84/17/42/514841742.db2.gz PTZCHJSEJWQOES-NHCUHLMSSA-N 2 3 352.611 2.989 20 0 FFADHP CN(CCC[NH+](C)CC[C@H]1CCCCN1C)CC[C@H]1CCCC[N@H+]1C ZINC000489424179 514841752 /nfs/dbraw/zinc/84/17/52/514841752.db2.gz PTZCHJSEJWQOES-NHCUHLMSSA-N 2 3 352.611 2.989 20 0 FFADHP CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000394036864 970558217 /nfs/dbraw/zinc/55/82/17/970558217.db2.gz VGPLRBRAJLWKOY-OAQYLSRUSA-N 2 3 359.558 2.676 20 0 FFADHP CC(C)N(C)C[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000394036864 970558226 /nfs/dbraw/zinc/55/82/26/970558226.db2.gz VGPLRBRAJLWKOY-OAQYLSRUSA-N 2 3 359.558 2.676 20 0 FFADHP C[NH+](C)CCN1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886501777 1008705943 /nfs/dbraw/zinc/70/59/43/1008705943.db2.gz YOBMWTNGUTUDCW-WWNPGLIZSA-N 2 3 370.585 2.655 20 0 FFADHP OC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000925695110 1017818125 /nfs/dbraw/zinc/81/81/25/1017818125.db2.gz YVEROLLUQSPOOU-FCHUYYIVSA-N 2 3 371.569 2.771 20 0 FFADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160626907 1027778822 /nfs/dbraw/zinc/77/88/22/1027778822.db2.gz CLGYECNAGIAZLK-SFTDATJTSA-N 2 3 374.573 2.602 20 0 FFADHP Clc1cccc(C2(NC3CCC4(CC3)C[NH2+]CCO4)CC[NH2+]CC2)c1 ZINC001246430533 1039352615 /nfs/dbraw/zinc/35/26/15/1039352615.db2.gz MNLMAXBSUATPAA-UHFFFAOYSA-N 2 3 363.933 2.810 20 0 FFADHP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849087511 1055635194 /nfs/dbraw/zinc/63/51/94/1055635194.db2.gz UZBSYQWTJOSIEG-HXUWFJFHSA-N 2 3 371.573 2.743 20 0 FFADHP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849087511 1055635199 /nfs/dbraw/zinc/63/51/99/1055635199.db2.gz UZBSYQWTJOSIEG-HXUWFJFHSA-N 2 3 371.573 2.743 20 0 FFADHP CCOCCCN1CC[C@@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)C1 ZINC001578107694 1078439899 /nfs/dbraw/zinc/43/98/99/1078439899.db2.gz HCIBSFYVTQSNRW-MAUKXSAKSA-N 2 3 351.560 2.620 20 0 FFADHP CN(c1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1)C1CCN(C)CC1 ZINC000371392143 512372970 /nfs/dbraw/zinc/37/29/70/512372970.db2.gz KIEYEOJEIQDFOS-UHFFFAOYSA-N 2 3 358.574 2.991 20 0 FFADHP Cc1nccn1CCC[N@@H+](C)[C@H]1CCC[NH+](CCCn2ccnc2C)CC1 ZINC000127612043 508476465 /nfs/dbraw/zinc/47/64/65/508476465.db2.gz AUBZZTVTUORRLA-NRFANRHFSA-N 2 3 372.561 2.963 20 0 FFADHP Cc1nccn1CCC[N@H+](C)[C@H]1CCC[NH+](CCCn2ccnc2C)CC1 ZINC000127612043 508476469 /nfs/dbraw/zinc/47/64/69/508476469.db2.gz AUBZZTVTUORRLA-NRFANRHFSA-N 2 3 372.561 2.963 20 0 FFADHP Cc1nccn1CCC[NH+](C)[C@H]1CCC[N@H+](CCCn2ccnc2C)CC1 ZINC000127612043 508476473 /nfs/dbraw/zinc/47/64/73/508476473.db2.gz AUBZZTVTUORRLA-NRFANRHFSA-N 2 3 372.561 2.963 20 0 FFADHP Cc1nccn1CCC[NH+](C)[C@H]1CCC[N@@H+](CCCn2ccnc2C)CC1 ZINC000127612043 508476476 /nfs/dbraw/zinc/47/64/76/508476476.db2.gz AUBZZTVTUORRLA-NRFANRHFSA-N 2 3 372.561 2.963 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC[NH2+]CC1 ZINC000423028355 514012648 /nfs/dbraw/zinc/01/26/48/514012648.db2.gz GEPKYCMQFYYDDJ-BZSNNMDCSA-N 2 3 365.562 2.550 20 0 FFADHP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423502546 514154755 /nfs/dbraw/zinc/15/47/55/514154755.db2.gz FEOXJZYLCZFRAV-FEZPLFSRSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423502546 514154757 /nfs/dbraw/zinc/15/47/57/514154757.db2.gz FEOXJZYLCZFRAV-FEZPLFSRSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521257 514159561 /nfs/dbraw/zinc/15/95/61/514159561.db2.gz SKXVOKIOWOUGSD-SDXIKQIGSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423521257 514159569 /nfs/dbraw/zinc/15/95/69/514159569.db2.gz SKXVOKIOWOUGSD-SDXIKQIGSA-N 2 3 370.585 2.703 20 0 FFADHP c1c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc2c1C[NH2+]CC2 ZINC000904471308 736254060 /nfs/dbraw/zinc/25/40/60/736254060.db2.gz HATIFJWDBRWSIZ-XLIONFOSSA-N 2 3 355.507 2.739 20 0 FFADHP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526118 1008720433 /nfs/dbraw/zinc/72/04/33/1008720433.db2.gz FOWJBIIUYICEPX-AFXVXQJMSA-N 2 3 371.569 2.866 20 0 FFADHP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526118 1008720443 /nfs/dbraw/zinc/72/04/43/1008720443.db2.gz FOWJBIIUYICEPX-AFXVXQJMSA-N 2 3 371.569 2.866 20 0 FFADHP [NH3+]CCCC[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1F ZINC000902405283 1020174048 /nfs/dbraw/zinc/17/40/48/1020174048.db2.gz KCDHPRWVEUMNFE-VQIMIIECSA-N 2 3 367.484 2.883 20 0 FFADHP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C[C@@]4(O)CCCNC4)CC3)C2)cc1 ZINC001246040923 1039211892 /nfs/dbraw/zinc/21/18/92/1039211892.db2.gz JYFRPBNHENYWIC-HSZRJFAPSA-N 2 3 371.569 2.788 20 0 FFADHP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@@]4(O)CCCNC4)CC3)C2)cc1 ZINC001246040923 1039211905 /nfs/dbraw/zinc/21/19/05/1039211905.db2.gz JYFRPBNHENYWIC-HSZRJFAPSA-N 2 3 371.569 2.788 20 0 FFADHP C[NH2+]C1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CC[NH2+]CC3)CC1 ZINC001246124401 1039250819 /nfs/dbraw/zinc/25/08/19/1039250819.db2.gz WUAYUPFIRDHTSK-ITAUSPCMSA-N 3 3 370.585 2.608 20 0 FFADHP CC1(C)C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246146113 1039258454 /nfs/dbraw/zinc/25/84/54/1039258454.db2.gz NREVPTCBLGCGDS-SFTDATJTSA-N 2 3 370.585 2.893 20 0 FFADHP CC1(C)C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246146113 1039258467 /nfs/dbraw/zinc/25/84/67/1039258467.db2.gz NREVPTCBLGCGDS-SFTDATJTSA-N 2 3 370.585 2.893 20 0 FFADHP c1ccc(C[C@H]2C[C@@H]([NH2+]CC3(c4ccccn4)CC[NH2+]CC3)CCN2)cc1 ZINC001246425412 1039349835 /nfs/dbraw/zinc/34/98/35/1039349835.db2.gz BHIHSVJWTMLLSO-SFTDATJTSA-N 2 3 364.537 2.656 20 0 FFADHP COC(=O)c1cccc(CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246441541 1039357812 /nfs/dbraw/zinc/35/78/12/1039357812.db2.gz ISIHQIGJJNIFJP-NMJHELSTSA-N 2 3 371.525 2.828 20 0 FFADHP c1ccc(C[C@H]2C[C@@H]([NH+]3CCC(OC4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC001246667225 1039432047 /nfs/dbraw/zinc/43/20/47/1039432047.db2.gz YQYADGKBVDPHEA-PMACEKPBSA-N 2 3 357.542 2.583 20 0 FFADHP CC1CC[NH+](CCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849057305 1055609309 /nfs/dbraw/zinc/60/93/09/1055609309.db2.gz IBHLFVVVAIWCGI-UHFFFAOYSA-N 2 3 371.573 2.887 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085480 1055633942 /nfs/dbraw/zinc/63/39/42/1055633942.db2.gz OINVHGANIGMZSN-LEWJYISDSA-N 2 3 371.573 2.887 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085480 1055633949 /nfs/dbraw/zinc/63/39/49/1055633949.db2.gz OINVHGANIGMZSN-LEWJYISDSA-N 2 3 371.573 2.887 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913644 510134149 /nfs/dbraw/zinc/13/41/49/510134149.db2.gz NIUSLFMLSMQGFA-QUCCMNQESA-N 2 3 363.546 2.515 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OCCN(C)C)c1 ZINC000268913644 510134158 /nfs/dbraw/zinc/13/41/58/510134158.db2.gz NIUSLFMLSMQGFA-QUCCMNQESA-N 2 3 363.546 2.515 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521254 514159513 /nfs/dbraw/zinc/15/95/13/514159513.db2.gz SKXVOKIOWOUGSD-MALGCSLJSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423521254 514159521 /nfs/dbraw/zinc/15/95/21/514159521.db2.gz SKXVOKIOWOUGSD-MALGCSLJSA-N 2 3 370.585 2.703 20 0 FFADHP COCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000414975864 514383754 /nfs/dbraw/zinc/38/37/54/514383754.db2.gz OOWCSQUOXADQNO-PCCBWWKXSA-N 2 3 357.542 2.503 20 0 FFADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137886 514462540 /nfs/dbraw/zinc/46/25/40/514462540.db2.gz UJMOZHQTTJJJBY-FPOVZHCZSA-N 2 3 358.574 2.880 20 0 FFADHP Cn1cc(CN2CCCC23CC[NH+](C2CCC([NH+](C)C)CC2)CC3)cn1 ZINC001168322659 982904061 /nfs/dbraw/zinc/90/40/61/982904061.db2.gz UXEWVHMWDAHFEC-UHFFFAOYSA-N 2 3 359.562 2.723 20 0 FFADHP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC1)C2 ZINC001169106896 1000025534 /nfs/dbraw/zinc/02/55/34/1000025534.db2.gz ATZIAGZRTQZVPQ-WVCBVJLLSA-N 2 3 360.590 2.540 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678775354 1017589837 /nfs/dbraw/zinc/58/98/37/1017589837.db2.gz ORFGMAXCIHOBAJ-RTWAWAEBSA-N 2 3 357.542 2.920 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678775354 1017589847 /nfs/dbraw/zinc/58/98/47/1017589847.db2.gz ORFGMAXCIHOBAJ-RTWAWAEBSA-N 2 3 357.542 2.920 20 0 FFADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220260912 1034077665 /nfs/dbraw/zinc/07/76/65/1034077665.db2.gz KHAWSZYKJDLFBT-FQEVSTJZSA-N 2 3 366.594 2.643 20 0 FFADHP CCC[NH+](CCC)CCCN1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208602535 1038440950 /nfs/dbraw/zinc/44/09/50/1038440950.db2.gz HJPGAGVQUQDDOB-UHFFFAOYSA-N 2 3 352.611 2.848 20 0 FFADHP c1ccc(C[C@H]2C[C@@H]([NH2+]CC3(c4cccnc4)CC[NH2+]CC3)CCN2)cc1 ZINC001246422459 1039348398 /nfs/dbraw/zinc/34/83/98/1039348398.db2.gz IYSBTRWGAXQXSQ-VXKWHMMOSA-N 2 3 364.537 2.656 20 0 FFADHP FC(F)(F)c1ccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246427015 1039351500 /nfs/dbraw/zinc/35/15/00/1039351500.db2.gz AUUCZQZTOBGSSF-UHFFFAOYSA-N 2 3 355.448 2.959 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001246618728 1039418527 /nfs/dbraw/zinc/41/85/27/1039418527.db2.gz KGDAEKFXFZZFOF-RTWAWAEBSA-N 2 3 369.553 2.932 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001246618728 1039418530 /nfs/dbraw/zinc/41/85/30/1039418530.db2.gz KGDAEKFXFZZFOF-RTWAWAEBSA-N 2 3 369.553 2.932 20 0 FFADHP COc1ccc(C[N@H+](C2CCNCC2)C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246968894 1039554175 /nfs/dbraw/zinc/55/41/75/1039554175.db2.gz YNSUGPBUMFIHQT-UHFFFAOYSA-N 2 3 373.541 2.550 20 0 FFADHP COc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246968894 1039554189 /nfs/dbraw/zinc/55/41/89/1039554189.db2.gz YNSUGPBUMFIHQT-UHFFFAOYSA-N 2 3 373.541 2.550 20 0 FFADHP CC1CCN(CCC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254048536 1040548276 /nfs/dbraw/zinc/54/82/76/1040548276.db2.gz OHTJQASIRHTZBP-UHFFFAOYSA-N 2 3 359.558 2.725 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001577536151 1078375289 /nfs/dbraw/zinc/37/52/89/1078375289.db2.gz PMNSXPDIYXUJND-HMXCVIKNSA-N 2 3 356.558 2.696 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000268842417 510094851 /nfs/dbraw/zinc/09/48/51/510094851.db2.gz FVBRTRKCDUTPKD-REWPJTCUSA-N 2 3 372.601 2.760 20 0 FFADHP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274932821 511991818 /nfs/dbraw/zinc/99/18/18/511991818.db2.gz RFYXSOITPVHIJN-NZQKXSOJSA-N 2 3 372.601 2.760 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1CC[C@H]1CCC[NH+]1C ZINC000503070738 514905201 /nfs/dbraw/zinc/90/52/01/514905201.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1CC[C@H]1CCC[NH+]1C ZINC000503070738 514905211 /nfs/dbraw/zinc/90/52/11/514905211.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000503070738 514905221 /nfs/dbraw/zinc/90/52/21/514905221.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000503070738 514905233 /nfs/dbraw/zinc/90/52/33/514905233.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC[C@H]1CCCN1C ZINC000503070738 514905243 /nfs/dbraw/zinc/90/52/43/514905243.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CC[C@H]1CCCN1C ZINC000503070738 514905254 /nfs/dbraw/zinc/90/52/54/514905254.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000503070738 514905261 /nfs/dbraw/zinc/90/52/61/514905261.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CC[C@H]1CCCN1C ZINC000503070738 514905271 /nfs/dbraw/zinc/90/52/71/514905271.db2.gz CRKLRFBODGTRRT-KJJMTIBFSA-N 2 3 364.622 2.987 20 0 FFADHP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000562961957 517535650 /nfs/dbraw/zinc/53/56/50/517535650.db2.gz KUCZZWNIROHIOQ-BHIFYINESA-N 2 3 370.585 2.880 20 0 FFADHP C[N@H+](CCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821361 519292120 /nfs/dbraw/zinc/29/21/20/519292120.db2.gz RCROWUCPRGOPBJ-MOPGFXCFSA-N 2 3 361.530 2.536 20 0 FFADHP C[N@@H+](CCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821361 519292126 /nfs/dbraw/zinc/29/21/26/519292126.db2.gz RCROWUCPRGOPBJ-MOPGFXCFSA-N 2 3 361.530 2.536 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158964 1013158254 /nfs/dbraw/zinc/15/82/54/1013158254.db2.gz ZNBVBCOCTLDMDP-FKVLARQCSA-N 2 3 359.558 2.537 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158964 1013158264 /nfs/dbraw/zinc/15/82/64/1013158264.db2.gz ZNBVBCOCTLDMDP-FKVLARQCSA-N 2 3 359.558 2.537 20 0 FFADHP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000643457702 979823575 /nfs/dbraw/zinc/82/35/75/979823575.db2.gz YIUFEBWUVSWRPT-CIAFKFPVSA-N 2 3 357.542 2.645 20 0 FFADHP c1ccc([C@H]2C[C@@H](NCc3ccc(CN4CC[NH2+]CC4)cc3)CC[NH2+]2)cc1 ZINC000925817037 1017861362 /nfs/dbraw/zinc/86/13/62/1017861362.db2.gz MGQQJBCVURKIOY-XZOQPEGZSA-N 2 3 364.537 2.675 20 0 FFADHP CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207435824 1037440775 /nfs/dbraw/zinc/44/07/75/1037440775.db2.gz WPYWBJSZGSGBCR-SFHVURJKSA-N 2 3 363.571 2.803 20 0 FFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139520 1039254463 /nfs/dbraw/zinc/25/44/63/1039254463.db2.gz DEEDKENAMBCRQB-MYGLTJDJSA-N 2 3 368.569 2.646 20 0 FFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139520 1039254472 /nfs/dbraw/zinc/25/44/72/1039254472.db2.gz DEEDKENAMBCRQB-MYGLTJDJSA-N 2 3 368.569 2.646 20 0 FFADHP COc1ccc(CC2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246386363 1039333980 /nfs/dbraw/zinc/33/39/80/1039333980.db2.gz IPBPZRSOVLAMMX-LJQANCHMSA-N 2 3 357.542 2.872 20 0 FFADHP C[C@H]1CCCCN1CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849062561 1055616374 /nfs/dbraw/zinc/61/63/74/1055616374.db2.gz PDNVJPGQJPVAGQ-SFHVURJKSA-N 2 3 357.546 2.639 20 0 FFADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000269037423 510205770 /nfs/dbraw/zinc/20/57/70/510205770.db2.gz FSVHTKJZAKZHNF-YLJYHZDGSA-N 2 3 351.535 2.634 20 0 FFADHP CN1CCN(Cc2ccccc2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246194352 1039272189 /nfs/dbraw/zinc/27/21/89/1039272189.db2.gz ICLXSNKWGMWUBX-UHFFFAOYSA-N 2 3 370.585 2.836 20 0 FFADHP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](C)C1 ZINC000849059856 1055613604 /nfs/dbraw/zinc/61/36/04/1055613604.db2.gz SIEACNRSTOKZCS-RTBURBONSA-N 2 3 371.573 2.885 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C(C)(C)CN1CC[C@H]1CCC[NH+]1C ZINC000451085523 513507891 /nfs/dbraw/zinc/50/78/91/513507891.db2.gz RHLSGRGWITVILG-AQNXPRMDSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C(C)(C)CN1CC[C@H]1CCC[NH+]1C ZINC000451085523 513507897 /nfs/dbraw/zinc/50/78/97/513507897.db2.gz RHLSGRGWITVILG-AQNXPRMDSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000451085523 513507903 /nfs/dbraw/zinc/50/79/03/513507903.db2.gz RHLSGRGWITVILG-AQNXPRMDSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@H]1CCC[N@H+]1C ZINC000451085523 513507911 /nfs/dbraw/zinc/50/79/11/513507911.db2.gz RHLSGRGWITVILG-AQNXPRMDSA-N 2 3 350.595 2.740 20 0 FFADHP COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000423405449 514131460 /nfs/dbraw/zinc/13/14/60/514131460.db2.gz JGIFLVKXUMLPHJ-YPAWHYETSA-N 2 3 371.569 2.893 20 0 FFADHP C[C@H](CCN1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431608955 568383332 /nfs/dbraw/zinc/38/33/32/568383332.db2.gz ZBNWQZTYEVIVRB-YPAWHYETSA-N 2 3 362.606 2.600 20 0 FFADHP NCc1ccc2c(n1)N(c1ccc(C[NH+]3CCC(C[NH3+])CC3)cc1)CCC2 ZINC001169591121 1000060347 /nfs/dbraw/zinc/06/03/47/1000060347.db2.gz SGIJSJMKZGAAGR-UHFFFAOYSA-N 2 3 365.525 2.795 20 0 FFADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118656 1011652108 /nfs/dbraw/zinc/65/21/08/1011652108.db2.gz WVSFOWGMQPRLCC-QMCAAQAGSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118656 1011652110 /nfs/dbraw/zinc/65/21/10/1011652110.db2.gz WVSFOWGMQPRLCC-QMCAAQAGSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118656 1011652122 /nfs/dbraw/zinc/65/21/22/1011652122.db2.gz WVSFOWGMQPRLCC-QMCAAQAGSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172118656 1011652133 /nfs/dbraw/zinc/65/21/33/1011652133.db2.gz WVSFOWGMQPRLCC-QMCAAQAGSA-N 2 3 361.574 2.682 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678775355 1017589701 /nfs/dbraw/zinc/58/97/01/1017589701.db2.gz ORFGMAXCIHOBAJ-SFTDATJTSA-N 2 3 357.542 2.920 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678775355 1017589713 /nfs/dbraw/zinc/58/97/13/1017589713.db2.gz ORFGMAXCIHOBAJ-SFTDATJTSA-N 2 3 357.542 2.920 20 0 FFADHP CC(C)(C)C[NH+]1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681206 1038600140 /nfs/dbraw/zinc/60/01/40/1038600140.db2.gz OMEOGBKZXNUTKJ-UHFFFAOYSA-N 2 3 351.579 2.978 20 0 FFADHP COc1ccccc1CC1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246426961 1039350501 /nfs/dbraw/zinc/35/05/01/1039350501.db2.gz SMUKNUZIFKRWPA-TZIWHRDSSA-N 2 3 357.542 2.872 20 0 FFADHP c1ccc(C[C@@H]2C[C@H]([NH2+]CC3(c4ccccn4)CC[NH2+]CC3)CCN2)cc1 ZINC001246425410 1039351091 /nfs/dbraw/zinc/35/10/91/1039351091.db2.gz BHIHSVJWTMLLSO-NHCUHLMSSA-N 2 3 364.537 2.656 20 0 FFADHP COC(=O)c1ccc(CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246441821 1039357440 /nfs/dbraw/zinc/35/74/40/1039357440.db2.gz JZDQNQPDHYWWBC-NMJHELSTSA-N 2 3 371.525 2.828 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246616934 1039416260 /nfs/dbraw/zinc/41/62/60/1039416260.db2.gz CXKAGJWCKMXCJD-LNRXMEIDSA-N 2 3 369.553 2.788 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246616934 1039416267 /nfs/dbraw/zinc/41/62/67/1039416267.db2.gz CXKAGJWCKMXCJD-LNRXMEIDSA-N 2 3 369.553 2.788 20 0 FFADHP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246615201 1039416311 /nfs/dbraw/zinc/41/63/11/1039416311.db2.gz QQAFIXAJECWHFT-QUCCMNQESA-N 2 3 361.505 2.629 20 0 FFADHP CN(CC[C@H]1CCC[N@@H+]1C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475306 512964811 /nfs/dbraw/zinc/96/48/11/512964811.db2.gz ZCCITSHTLNVXPR-HXUWFJFHSA-N 2 3 350.595 2.599 20 0 FFADHP CN(CC[C@H]1CCC[N@H+]1C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475306 512964815 /nfs/dbraw/zinc/96/48/15/512964815.db2.gz ZCCITSHTLNVXPR-HXUWFJFHSA-N 2 3 350.595 2.599 20 0 FFADHP CN1CCC[C@@H]1CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475306 512964819 /nfs/dbraw/zinc/96/48/19/512964819.db2.gz ZCCITSHTLNVXPR-HXUWFJFHSA-N 2 3 350.595 2.599 20 0 FFADHP CN1CCC[C@@H]1CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475306 512964823 /nfs/dbraw/zinc/96/48/23/512964823.db2.gz ZCCITSHTLNVXPR-HXUWFJFHSA-N 2 3 350.595 2.599 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C(C)(C)CN1CC[C@H]1CCC[NH+]1C ZINC000451085781 513507169 /nfs/dbraw/zinc/50/71/69/513507169.db2.gz RHLSGRGWITVILG-VAMGGRTRSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C(C)(C)CN1CC[C@H]1CCC[NH+]1C ZINC000451085781 513507178 /nfs/dbraw/zinc/50/71/78/513507178.db2.gz RHLSGRGWITVILG-VAMGGRTRSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000451085781 513507188 /nfs/dbraw/zinc/50/71/88/513507188.db2.gz RHLSGRGWITVILG-VAMGGRTRSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@H]1CCC[N@H+]1C ZINC000451085781 513507199 /nfs/dbraw/zinc/50/71/99/513507199.db2.gz RHLSGRGWITVILG-VAMGGRTRSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036428 971155021 /nfs/dbraw/zinc/15/50/21/971155021.db2.gz WOWSFJNYNFNZPI-VTYHHJSWSA-N 2 3 358.574 2.785 20 0 FFADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036428 971155023 /nfs/dbraw/zinc/15/50/23/971155023.db2.gz WOWSFJNYNFNZPI-VTYHHJSWSA-N 2 3 358.574 2.785 20 0 FFADHP COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1CN1CCCCC1 ZINC000817936499 1007816651 /nfs/dbraw/zinc/81/66/51/1007816651.db2.gz OZBWCICYABFRFC-LJQANCHMSA-N 2 3 374.573 2.627 20 0 FFADHP C[NH+](C)CCN1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886501776 1008704682 /nfs/dbraw/zinc/70/46/82/1008704682.db2.gz YOBMWTNGUTUDCW-PMVMPFDFSA-N 2 3 370.585 2.655 20 0 FFADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119561 1011656334 /nfs/dbraw/zinc/65/63/34/1011656334.db2.gz WVSFOWGMQPRLCC-VNXMGFANSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119561 1011656343 /nfs/dbraw/zinc/65/63/43/1011656343.db2.gz WVSFOWGMQPRLCC-VNXMGFANSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119561 1011656350 /nfs/dbraw/zinc/65/63/50/1011656350.db2.gz WVSFOWGMQPRLCC-VNXMGFANSA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172119561 1011656355 /nfs/dbraw/zinc/65/63/55/1011656355.db2.gz WVSFOWGMQPRLCC-VNXMGFANSA-N 2 3 361.574 2.682 20 0 FFADHP c1cc(CN2CC[NH2+]CC2)cc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161907 1032795598 /nfs/dbraw/zinc/79/55/98/1032795598.db2.gz SQEWGLUARBMAEI-QHCPKHFHSA-N 2 3 370.585 2.838 20 0 FFADHP CCN1CCN([C@@H](C)C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902335392 1020109034 /nfs/dbraw/zinc/10/90/34/1020109034.db2.gz AUNGCGRLQYCIOJ-OXJNMPFZSA-N 2 3 368.516 2.751 20 0 FFADHP Cc1ccc(CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395630 1028157643 /nfs/dbraw/zinc/15/76/43/1028157643.db2.gz GTYJCKGBELCIFZ-ACRUOGEOSA-N 2 3 374.573 2.653 20 0 FFADHP Fc1ccc(C[N@@H+](Cc2ccc3n2CCNC3)CC2CC[NH2+]CC2)cc1 ZINC001236379825 1038060664 /nfs/dbraw/zinc/06/06/64/1038060664.db2.gz BAIHLLLDHUOQCI-UHFFFAOYSA-N 2 3 356.489 2.732 20 0 FFADHP Fc1ccc(C[N@H+](Cc2ccc3n2CCNC3)CC2CC[NH2+]CC2)cc1 ZINC001236379825 1038060681 /nfs/dbraw/zinc/06/06/81/1038060681.db2.gz BAIHLLLDHUOQCI-UHFFFAOYSA-N 2 3 356.489 2.732 20 0 FFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681237 1038600059 /nfs/dbraw/zinc/60/00/59/1038600059.db2.gz OYCVRPBJNAWJAM-IKVFXUPASA-N 2 3 372.557 2.797 20 0 FFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681237 1038600064 /nfs/dbraw/zinc/60/00/64/1038600064.db2.gz OYCVRPBJNAWJAM-IKVFXUPASA-N 2 3 372.557 2.797 20 0 FFADHP c1ccc([C@@H]2C[C@H](NCc3cccc(N4CC[NH2+]CC4)c3)CC[NH2+]2)cc1 ZINC001246345919 1039320314 /nfs/dbraw/zinc/32/03/14/1039320314.db2.gz LGCHNDSIBXZORW-IRLDBZIGSA-N 2 3 350.510 2.679 20 0 FFADHP CCn1ccnc1CN1CC[C@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]2CC1 ZINC001279591784 1043307645 /nfs/dbraw/zinc/30/76/45/1043307645.db2.gz QTJBCUYDKPPRIV-KDURUIRLSA-N 2 3 361.578 2.635 20 0 FFADHP CCn1ccnc1CN1CC[C@H]2C[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]2CC1 ZINC001279591784 1043307653 /nfs/dbraw/zinc/30/76/53/1043307653.db2.gz QTJBCUYDKPPRIV-KDURUIRLSA-N 2 3 361.578 2.635 20 0 FFADHP CCC[NH+]1CCC(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849066171 1055622656 /nfs/dbraw/zinc/62/26/56/1055622656.db2.gz DSBPWIVKDILSIW-UHFFFAOYSA-N 2 3 371.573 2.887 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420368412 514111702 /nfs/dbraw/zinc/11/17/02/514111702.db2.gz WVAGTVAXNVXZJV-VXKWHMMOSA-N 2 3 359.558 2.505 20 0 FFADHP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420368412 514111711 /nfs/dbraw/zinc/11/17/11/514111711.db2.gz WVAGTVAXNVXZJV-VXKWHMMOSA-N 2 3 359.558 2.505 20 0 FFADHP C[NH+]1CCC(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001256612444 1038581004 /nfs/dbraw/zinc/58/10/04/1038581004.db2.gz IMYDIQHXKKXNLW-UHFFFAOYSA-N 2 3 370.585 2.610 20 0 FFADHP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CN(C4CC[NH2+]CC4)C2)C3)cc1 ZINC001246217362 1039281176 /nfs/dbraw/zinc/28/11/76/1039281176.db2.gz FMRLBHKBKIYKFP-QYEXWFEISA-N 2 3 368.569 2.598 20 0 FFADHP COc1ccccc1CC1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246426960 1039350996 /nfs/dbraw/zinc/35/09/96/1039350996.db2.gz SMUKNUZIFKRWPA-PZJWPPBQSA-N 2 3 357.542 2.872 20 0 FFADHP COc1ccccc1CC1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246426594 1039351367 /nfs/dbraw/zinc/35/13/67/1039351367.db2.gz SMUKNUZIFKRWPA-FPOVZHCZSA-N 2 3 357.542 2.872 20 0 FFADHP FC(F)(F)c1cccc(C2([NH2+][C@H]3CSC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246431849 1039353499 /nfs/dbraw/zinc/35/34/99/1039353499.db2.gz VAGDGXUJBSRSCJ-OAHLLOKOSA-N 2 3 371.472 2.721 20 0 FFADHP c1ccc(C[C@@H]2C[C@H]([NH+]3CCC(OC4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC001246667243 1039432307 /nfs/dbraw/zinc/43/23/07/1039432307.db2.gz YQYADGKBVDPHEA-WOJBJXKFSA-N 2 3 357.542 2.583 20 0 FFADHP C[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000849067456 1055622913 /nfs/dbraw/zinc/62/29/13/1055622913.db2.gz GDISBICHECHCSV-LJQANCHMSA-N 2 3 371.573 2.887 20 0 FFADHP C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499885 1020239147 /nfs/dbraw/zinc/23/91/47/1020239147.db2.gz LBFQHCWKBJQLNN-IBHRTIHJSA-N 2 3 351.494 2.790 20 0 FFADHP FC1(F)CCNC[C@]12CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235096216 1037361641 /nfs/dbraw/zinc/36/16/41/1037361641.db2.gz ZJVZLQDMJXOKIV-IBGZPJMESA-N 2 3 360.452 2.565 20 0 FFADHP FC1(F)CCNC[C@]12CC[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235096216 1037361662 /nfs/dbraw/zinc/36/16/62/1037361662.db2.gz ZJVZLQDMJXOKIV-IBGZPJMESA-N 2 3 360.452 2.565 20 0 FFADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678219 1038122344 /nfs/dbraw/zinc/12/23/44/1038122344.db2.gz WVSFOWGMQPRLCC-ZHXVYXOISA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678219 1038122351 /nfs/dbraw/zinc/12/23/51/1038122351.db2.gz WVSFOWGMQPRLCC-ZHXVYXOISA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678219 1038122360 /nfs/dbraw/zinc/12/23/60/1038122360.db2.gz WVSFOWGMQPRLCC-ZHXVYXOISA-N 2 3 361.574 2.682 20 0 FFADHP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255678219 1038122365 /nfs/dbraw/zinc/12/23/65/1038122365.db2.gz WVSFOWGMQPRLCC-ZHXVYXOISA-N 2 3 361.574 2.682 20 0 FFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139519 1039255449 /nfs/dbraw/zinc/25/54/49/1039255449.db2.gz DEEDKENAMBCRQB-KJJMTIBFSA-N 2 3 368.569 2.646 20 0 FFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139519 1039255452 /nfs/dbraw/zinc/25/54/52/1039255452.db2.gz DEEDKENAMBCRQB-KJJMTIBFSA-N 2 3 368.569 2.646 20 0 FFADHP COCCC[NH+]1CCC(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246405902 1039341991 /nfs/dbraw/zinc/34/19/91/1039341991.db2.gz NFWGSJYXSLMETH-OAQYLSRUSA-N 2 3 363.521 2.957 20 0 FFADHP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849066060 1055621758 /nfs/dbraw/zinc/62/17/58/1055621758.db2.gz SZBQUAHQLKHWJZ-HXUWFJFHSA-N 2 3 371.573 2.885 20 0 FFADHP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849066060 1055621762 /nfs/dbraw/zinc/62/17/62/1055621762.db2.gz SZBQUAHQLKHWJZ-HXUWFJFHSA-N 2 3 371.573 2.885 20 0 FFADHP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298605147 511345771 /nfs/dbraw/zinc/34/57/71/511345771.db2.gz ZMCJYWMZIXLVGI-UHFFFAOYSA-N 2 3 368.525 2.823 20 0 FFADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240611 967808489 /nfs/dbraw/zinc/80/84/89/967808489.db2.gz ORQOWNJFXGILER-MRXNPFEDSA-N 2 3 353.514 2.807 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742359 990367440 /nfs/dbraw/zinc/36/74/40/990367440.db2.gz NKEPYHZRJRBREU-TZIWHRDSSA-N 2 3 358.574 2.513 20 0 FFADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001172112393 1011644723 /nfs/dbraw/zinc/64/47/23/1011644723.db2.gz VPHMVCSJTQMXSS-GOAPXITPSA-N 2 3 374.617 2.930 20 0 FFADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001160626901 1027778547 /nfs/dbraw/zinc/77/85/47/1027778547.db2.gz CLGYECNAGIAZLK-LEWJYISDSA-N 2 3 374.573 2.602 20 0 FFADHP CC[N@@H+]1CCO[C@@H]2CN(CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207290536 1037317063 /nfs/dbraw/zinc/31/70/63/1037317063.db2.gz CHNJMJLWFCLTOK-FCHUYYIVSA-N 2 3 357.542 2.551 20 0 FFADHP CC[N@H+]1CCO[C@@H]2CN(CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207290536 1037317084 /nfs/dbraw/zinc/31/70/84/1037317084.db2.gz CHNJMJLWFCLTOK-FCHUYYIVSA-N 2 3 357.542 2.551 20 0 FFADHP c1cc(N2CCC([NH2+]C3CCN(CC4CCOCC4)CC3)CC2)cc[nH+]1 ZINC001256852830 1038634773 /nfs/dbraw/zinc/63/47/73/1038634773.db2.gz IQRVYEKROQUNGP-UHFFFAOYSA-N 2 3 358.530 2.531 20 0 FFADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246146011 1039258716 /nfs/dbraw/zinc/25/87/16/1039258716.db2.gz NEPVNVOYHPPRKR-NPDDRXJXSA-N 2 3 370.585 2.892 20 0 FFADHP C[C@@H]1C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246146011 1039258724 /nfs/dbraw/zinc/25/87/24/1039258724.db2.gz NEPVNVOYHPPRKR-NPDDRXJXSA-N 2 3 370.585 2.892 20 0 FFADHP CCN(CC)C[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001253184756 1040028982 /nfs/dbraw/zinc/02/89/82/1040028982.db2.gz KCOIKSXQYKBTRV-SFHVURJKSA-N 2 3 365.587 2.739 20 0 FFADHP CCN(CC)C[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001253184756 1040028999 /nfs/dbraw/zinc/02/89/99/1040028999.db2.gz KCOIKSXQYKBTRV-SFHVURJKSA-N 2 3 365.587 2.739 20 0 FFADHP C[NH+](C)Cc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254048557 1040550266 /nfs/dbraw/zinc/55/02/66/1040550266.db2.gz PPULPBUFAVLRCH-UHFFFAOYSA-N 2 3 367.537 2.865 20 0 FFADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000248402300 509296652 /nfs/dbraw/zinc/29/66/52/509296652.db2.gz NBMJXZDUUPNIGQ-RJGXRXQPSA-N 2 3 371.569 2.581 20 0 FFADHP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854570 510102746 /nfs/dbraw/zinc/10/27/46/510102746.db2.gz CRMFZXFEOPCLAP-AZUAARDMSA-N 2 3 363.546 2.515 20 0 FFADHP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854570 510102750 /nfs/dbraw/zinc/10/27/50/510102750.db2.gz CRMFZXFEOPCLAP-AZUAARDMSA-N 2 3 363.546 2.515 20 0 FFADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000269037417 510205552 /nfs/dbraw/zinc/20/55/52/510205552.db2.gz FSVHTKJZAKZHNF-FXAWDEMLSA-N 2 3 351.535 2.634 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513346884 516578550 /nfs/dbraw/zinc/57/85/50/516578550.db2.gz ZQOGPTDCCIANHM-AZUAARDMSA-N 2 3 351.579 2.854 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513346884 516578563 /nfs/dbraw/zinc/57/85/63/516578563.db2.gz ZQOGPTDCCIANHM-AZUAARDMSA-N 2 3 351.579 2.854 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513346887 516578883 /nfs/dbraw/zinc/57/88/83/516578883.db2.gz ZQOGPTDCCIANHM-UYAOXDASSA-N 2 3 351.579 2.854 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513346887 516578890 /nfs/dbraw/zinc/57/88/90/516578890.db2.gz ZQOGPTDCCIANHM-UYAOXDASSA-N 2 3 351.579 2.854 20 0 FFADHP CN1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC000569108273 519382988 /nfs/dbraw/zinc/38/29/88/519382988.db2.gz NCWQVBMMLRRMAT-VXKWHMMOSA-N 2 3 358.574 2.685 20 0 FFADHP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000643457703 979822692 /nfs/dbraw/zinc/82/26/92/979822692.db2.gz YIUFEBWUVSWRPT-CLAROIROSA-N 2 3 357.542 2.645 20 0 FFADHP C[NH+]1CCC(CN2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)CC1 ZINC001171640332 1011422723 /nfs/dbraw/zinc/42/27/23/1011422723.db2.gz CRCQHQAAHOKRGT-UHFFFAOYSA-N 2 3 350.595 2.597 20 0 FFADHP CC1(C)[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925548247 1017780918 /nfs/dbraw/zinc/78/09/18/1017780918.db2.gz AZFBMKUIRZYPJB-CLAROIROSA-N 2 3 371.569 2.798 20 0 FFADHP [NH3+]C1(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000925703360 1017821203 /nfs/dbraw/zinc/82/12/03/1017821203.db2.gz DIUMXUMDYRXXFR-YADHBBJMSA-N 2 3 370.585 2.738 20 0 FFADHP C[NH+](C)C1CCN(CCN[C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902334024 1020108156 /nfs/dbraw/zinc/10/81/56/1020108156.db2.gz BEHDKZRPRCGOIK-HXUWFJFHSA-N 2 3 368.516 2.751 20 0 FFADHP CN(C)C1(CNc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)CC[NH+](C)CC1 ZINC001164216703 1029207460 /nfs/dbraw/zinc/20/74/60/1029207460.db2.gz IQMGYQBWSPNAEJ-NHCUHLMSSA-N 2 3 374.573 2.911 20 0 FFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139522 1039254859 /nfs/dbraw/zinc/25/48/59/1039254859.db2.gz DEEDKENAMBCRQB-YUMYIRISSA-N 2 3 368.569 2.646 20 0 FFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139522 1039254868 /nfs/dbraw/zinc/25/48/68/1039254868.db2.gz DEEDKENAMBCRQB-YUMYIRISSA-N 2 3 368.569 2.646 20 0 FFADHP COc1ccc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246379308 1039329463 /nfs/dbraw/zinc/32/94/63/1039329463.db2.gz XIXIVILNODUSBA-LJQANCHMSA-N 2 3 357.542 2.872 20 0 FFADHP COc1ccccc1CC1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246417697 1039346051 /nfs/dbraw/zinc/34/60/51/1039346051.db2.gz CCVWUWUFUNFSKI-LJQANCHMSA-N 2 3 357.542 2.872 20 0 FFADHP FC(F)(F)c1cccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246415462 1039346874 /nfs/dbraw/zinc/34/68/74/1039346874.db2.gz PUCPYVPGEOOTTM-UHFFFAOYSA-N 2 3 355.448 2.959 20 0 FFADHP C[C@H]1CCCCN1CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049991 1040550999 /nfs/dbraw/zinc/55/09/99/1040550999.db2.gz YPAUKQDRDNLTKB-FQEVSTJZSA-N 2 3 359.558 2.868 20 0 FFADHP [NH3+]CCCCN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137577 1041167660 /nfs/dbraw/zinc/16/76/60/1041167660.db2.gz YVFLORUYCAQXJQ-KOUNCHBCSA-N 2 3 356.558 2.539 20 0 FFADHP [NH3+]CCCCN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255137577 1041167668 /nfs/dbraw/zinc/16/76/68/1041167668.db2.gz YVFLORUYCAQXJQ-KOUNCHBCSA-N 2 3 356.558 2.539 20 0 FFADHP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](C)C1 ZINC000849059854 1055613281 /nfs/dbraw/zinc/61/32/81/1055613281.db2.gz SIEACNRSTOKZCS-OALUTQOASA-N 2 3 371.573 2.885 20 0 FFADHP COC[C@@H](CCC[NH3+])[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422875110 513960154 /nfs/dbraw/zinc/96/01/54/513960154.db2.gz BYEONOKAIAXANC-GOSISDBHSA-N 2 3 353.938 2.896 20 0 FFADHP [NH3+]CCCC[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1F ZINC000902405280 1020174137 /nfs/dbraw/zinc/17/41/37/1020174137.db2.gz KCDHPRWVEUMNFE-APWZRJJASA-N 2 3 367.484 2.883 20 0 FFADHP c1c(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222615163 1033076711 /nfs/dbraw/zinc/07/67/11/1033076711.db2.gz MBOFOIXPKPJBME-JOCHJYFZSA-N 2 3 372.516 2.934 20 0 FFADHP c1c(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222615163 1033076726 /nfs/dbraw/zinc/07/67/26/1033076726.db2.gz MBOFOIXPKPJBME-JOCHJYFZSA-N 2 3 372.516 2.934 20 0 FFADHP CN1Cc2c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cccc2[C@H](c2ccccc2)C1 ZINC001219047390 1033487268 /nfs/dbraw/zinc/48/72/68/1033487268.db2.gz XCPADEAAHUAMDM-ICSRJNTNSA-N 2 3 366.509 2.659 20 0 FFADHP Cn1cc(CN2CCCC23CC[NH+](CCC2CC[NH+](C)CC2)CC3)cn1 ZINC001207482201 1037478985 /nfs/dbraw/zinc/47/89/85/1037478985.db2.gz KSKGPBDGCQSDTN-UHFFFAOYSA-N 2 3 359.562 2.582 20 0 FFADHP Clc1ccc(CN2CCC(C[NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246366065 1039326009 /nfs/dbraw/zinc/32/60/09/1039326009.db2.gz LGMCPIYTUJWDMR-SFHVURJKSA-N 2 3 365.974 2.989 20 0 FFADHP COc1ccc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246373995 1039327521 /nfs/dbraw/zinc/32/75/21/1039327521.db2.gz DRAVSEYTNBGTHZ-CTNGQTDRSA-N 2 3 357.542 2.872 20 0 FFADHP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)CC1 ZINC000849067394 1055623386 /nfs/dbraw/zinc/62/33/86/1055623386.db2.gz AXFUBZORYZCVKG-IBGZPJMESA-N 2 3 371.573 2.885 20 0 FFADHP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001560704240 1076292971 /nfs/dbraw/zinc/29/29/71/1076292971.db2.gz AXRBRBUFFRLAFP-JOCHJYFZSA-N 2 3 357.542 2.607 20 0 FFADHP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001560704240 1076292974 /nfs/dbraw/zinc/29/29/74/1076292974.db2.gz AXRBRBUFFRLAFP-JOCHJYFZSA-N 2 3 357.542 2.607 20 0 FFADHP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272524134 252060414 /nfs/dbraw/zinc/06/04/14/252060414.db2.gz AAGBQCDOQXVQCU-IFMALSPDSA-N 2 3 358.574 2.514 20 0 FFADHP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272524134 252060418 /nfs/dbraw/zinc/06/04/18/252060418.db2.gz AAGBQCDOQXVQCU-IFMALSPDSA-N 2 3 358.574 2.514 20 0 FFADHP COCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC[NH2+]CC1 ZINC000414975860 514383707 /nfs/dbraw/zinc/38/37/07/514383707.db2.gz OOWCSQUOXADQNO-NJDAHSKKSA-N 2 3 357.542 2.503 20 0 FFADHP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[C@@H]3CCCCN3C)CC2)CC1 ZINC000531614985 516556054 /nfs/dbraw/zinc/55/60/54/516556054.db2.gz XFUYCWIECZLQPH-NRFANRHFSA-N 2 3 364.622 2.989 20 0 FFADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@@H]3CCCCN3C)CC2)CC1 ZINC000531614985 516556063 /nfs/dbraw/zinc/55/60/63/516556063.db2.gz XFUYCWIECZLQPH-NRFANRHFSA-N 2 3 364.622 2.989 20 0 FFADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000531614985 516556074 /nfs/dbraw/zinc/55/60/74/516556074.db2.gz XFUYCWIECZLQPH-NRFANRHFSA-N 2 3 364.622 2.989 20 0 FFADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000531614985 516556086 /nfs/dbraw/zinc/55/60/86/516556086.db2.gz XFUYCWIECZLQPH-NRFANRHFSA-N 2 3 364.622 2.989 20 0 FFADHP CN(c1ccccc1CNCc1ccc(C[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000563135026 517685583 /nfs/dbraw/zinc/68/55/83/517685583.db2.gz CBGVFOXBDXACBD-UHFFFAOYSA-N 2 3 352.526 2.966 20 0 FFADHP C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)CC1 ZINC000904589200 980301083 /nfs/dbraw/zinc/30/10/83/980301083.db2.gz HPZCXLMTYPFIGN-UHFFFAOYSA-N 2 3 373.545 2.561 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879576734 1015594025 /nfs/dbraw/zinc/59/40/25/1015594025.db2.gz DONPNERLZYMHGJ-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879576734 1015594035 /nfs/dbraw/zinc/59/40/35/1015594035.db2.gz DONPNERLZYMHGJ-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@@H]21 ZINC000879576734 1015594045 /nfs/dbraw/zinc/59/40/45/1015594045.db2.gz DONPNERLZYMHGJ-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@@H]21 ZINC000879576734 1015594053 /nfs/dbraw/zinc/59/40/53/1015594053.db2.gz DONPNERLZYMHGJ-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000925843605 1017867014 /nfs/dbraw/zinc/86/70/14/1017867014.db2.gz FWMOWKASYBMCTD-RBBKRZOGSA-N 2 3 358.574 2.562 20 0 FFADHP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCNCC2)CCN1Cc1ccccc1 ZINC000925845916 1017869864 /nfs/dbraw/zinc/86/98/64/1017869864.db2.gz PVALZJMVJGZIBW-IFMALSPDSA-N 2 3 358.574 2.705 20 0 FFADHP CN1CCN(CC[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1(C)C ZINC000902381203 1020149926 /nfs/dbraw/zinc/14/99/26/1020149926.db2.gz DRABNTWMFMJFFR-IBGZPJMESA-N 2 3 368.516 2.751 20 0 FFADHP CCC[NH+](CCC)CCCN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207488165 1037486496 /nfs/dbraw/zinc/48/64/96/1037486496.db2.gz HESSGJOWDAQEJW-UHFFFAOYSA-N 2 3 352.611 2.848 20 0 FFADHP CC[NH+]1CCC(CC2CC[NH+](C[C@@H](O)[C@@H](N)Cc3ccccc3)CC2)CC1 ZINC001246063517 1039231553 /nfs/dbraw/zinc/23/15/53/1039231553.db2.gz KFIGWNLEVMAWNV-XZOQPEGZSA-N 2 3 373.585 2.751 20 0 FFADHP COc1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246389980 1039332809 /nfs/dbraw/zinc/33/28/09/1039332809.db2.gz RLVJEMSIMPJSCL-ACDBMABISA-N 2 3 357.542 2.870 20 0 FFADHP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000849071472 1055628095 /nfs/dbraw/zinc/62/80/95/1055628095.db2.gz YTMCLAKGESFBBQ-GOSISDBHSA-N 2 3 357.546 2.639 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000272612610 252080998 /nfs/dbraw/zinc/08/09/98/252080998.db2.gz WPTJXYXLEDLZLW-FDFHNCONSA-N 2 3 371.569 2.722 20 0 FFADHP C[NH+](C)CCC1CCN(C/C=C\C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000255390223 509924010 /nfs/dbraw/zinc/92/40/10/509924010.db2.gz FODGGWVUFBCUGD-WAYWQWQTSA-N 3 3 364.622 2.870 20 0 FFADHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN(CC)CC)CC[NH2+]CC1 ZINC000422842749 513948866 /nfs/dbraw/zinc/94/88/66/513948866.db2.gz ZHNVIUJNRKUKAJ-OTWHNJEPSA-N 2 3 367.578 2.798 20 0 FFADHP CN(c1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCN(C)CC1 ZINC000414766563 514282409 /nfs/dbraw/zinc/28/24/09/514282409.db2.gz HVKUQMLRJCZZBL-KDURUIRLSA-N 2 3 356.558 2.648 20 0 FFADHP CN(c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCN(C)CC1 ZINC000414766563 514282414 /nfs/dbraw/zinc/28/24/14/514282414.db2.gz HVKUQMLRJCZZBL-KDURUIRLSA-N 2 3 356.558 2.648 20 0 FFADHP CN(C)C[C@@H]1C[N@H+](Cn2ccc(=S)c3ccccc32)C[C@H]1C[NH+](C)C ZINC000872636552 731804953 /nfs/dbraw/zinc/80/49/53/731804953.db2.gz KJSPOOFZWVXEFG-IAGOWNOFSA-N 2 3 358.555 2.999 20 0 FFADHP CN(C)C[C@@H]1C[N@@H+](Cn2ccc(=S)c3ccccc32)C[C@H]1C[NH+](C)C ZINC000872636552 731804955 /nfs/dbraw/zinc/80/49/55/731804955.db2.gz KJSPOOFZWVXEFG-IAGOWNOFSA-N 2 3 358.555 2.999 20 0 FFADHP CC(C)CCN1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000926677054 738643696 /nfs/dbraw/zinc/64/36/96/738643696.db2.gz OCFGDEZROXCSJP-UHFFFAOYSA-N 2 3 351.579 2.978 20 0 FFADHP [NH3+]C1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000925703354 1017820089 /nfs/dbraw/zinc/82/00/89/1017820089.db2.gz DIUMXUMDYRXXFR-FGZHOGPDSA-N 2 3 370.585 2.738 20 0 FFADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]CC3(c4cccnc4)CC[NH2+]CC3)CCN2)cc1 ZINC001246422454 1039348443 /nfs/dbraw/zinc/34/84/43/1039348443.db2.gz IYSBTRWGAXQXSQ-FCHUYYIVSA-N 2 3 364.537 2.656 20 0 FFADHP C[NH+]1CCC2(CC1)CC[NH+](CC1(O)CCN(Cc3ccccc3)CC1)CC2 ZINC001254041494 1040543420 /nfs/dbraw/zinc/54/34/20/1040543420.db2.gz KROJPZOKYNZFNJ-UHFFFAOYSA-N 2 3 371.569 2.821 20 0 FFADHP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[C@H]3CCCCN3C)CC2)CC1 ZINC000531614986 516556805 /nfs/dbraw/zinc/55/68/05/516556805.db2.gz XFUYCWIECZLQPH-OAQYLSRUSA-N 2 3 364.622 2.989 20 0 FFADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@H]3CCCCN3C)CC2)CC1 ZINC000531614986 516556811 /nfs/dbraw/zinc/55/68/11/516556811.db2.gz XFUYCWIECZLQPH-OAQYLSRUSA-N 2 3 364.622 2.989 20 0 FFADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000531614986 516556818 /nfs/dbraw/zinc/55/68/18/516556818.db2.gz XFUYCWIECZLQPH-OAQYLSRUSA-N 2 3 364.622 2.989 20 0 FFADHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC[C@H]1CCCC[N@H+]1C ZINC000531614986 516556825 /nfs/dbraw/zinc/55/68/25/516556825.db2.gz XFUYCWIECZLQPH-OAQYLSRUSA-N 2 3 364.622 2.989 20 0 FFADHP Cc1nc(N2CCC[C@H]([NH+](C)C)CC2)cc(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000518287100 516601183 /nfs/dbraw/zinc/60/11/83/516601183.db2.gz DVHSMVOLNFVJBU-OALUTQOASA-N 2 3 374.577 2.626 20 0 FFADHP CN1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1c1ccccc1 ZINC000569108267 519383312 /nfs/dbraw/zinc/38/33/12/519383312.db2.gz NCWQVBMMLRRMAT-FCHUYYIVSA-N 2 3 358.574 2.685 20 0 FFADHP C[C@H](CCN1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431608948 568383364 /nfs/dbraw/zinc/38/33/64/568383364.db2.gz ZBNWQZTYEVIVRB-BHIFYINESA-N 2 3 362.606 2.600 20 0 FFADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649411578 1013408806 /nfs/dbraw/zinc/40/88/06/1013408806.db2.gz IGSJDOSDCDNMQC-VXKWHMMOSA-N 2 3 359.558 2.505 20 0 FFADHP COc1cccc(CC2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246383028 1039330071 /nfs/dbraw/zinc/33/00/71/1039330071.db2.gz CNBJAXUXIRHZDV-LJQANCHMSA-N 2 3 357.542 2.872 20 0 FFADHP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246432567 1039353450 /nfs/dbraw/zinc/35/34/50/1039353450.db2.gz BZZOEYODPKLDCT-VQFNDLOPSA-N 2 3 367.459 2.958 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000139815222 508794858 /nfs/dbraw/zinc/79/48/58/508794858.db2.gz NJJUDAOXYIYTCG-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000139815222 508794861 /nfs/dbraw/zinc/79/48/61/508794861.db2.gz NJJUDAOXYIYTCG-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000139815222 508794862 /nfs/dbraw/zinc/79/48/62/508794862.db2.gz NJJUDAOXYIYTCG-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000139815222 508794865 /nfs/dbraw/zinc/79/48/65/508794865.db2.gz NJJUDAOXYIYTCG-YSFYHYPLSA-N 2 3 362.606 2.599 20 0 FFADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792140 513933387 /nfs/dbraw/zinc/93/33/87/513933387.db2.gz QRDKQSJQZRMXOU-UXHICEINSA-N 2 3 350.595 2.837 20 0 FFADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001167840746 976484217 /nfs/dbraw/zinc/48/42/17/976484217.db2.gz IFFUAFJSNGCKMS-RTBURBONSA-N 2 3 367.578 2.846 20 0 FFADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001167840746 976484221 /nfs/dbraw/zinc/48/42/21/976484221.db2.gz IFFUAFJSNGCKMS-RTBURBONSA-N 2 3 367.578 2.846 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145742 1006532447 /nfs/dbraw/zinc/53/24/47/1006532447.db2.gz CZPLZUBNRHRSNJ-FSSWDIPSSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145742 1006532459 /nfs/dbraw/zinc/53/24/59/1006532459.db2.gz CZPLZUBNRHRSNJ-FSSWDIPSSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[NH+](C)C2)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145742 1006532467 /nfs/dbraw/zinc/53/24/67/1006532467.db2.gz CZPLZUBNRHRSNJ-FSSWDIPSSA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[NH+](C)C2)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815145742 1006532478 /nfs/dbraw/zinc/53/24/78/1006532478.db2.gz CZPLZUBNRHRSNJ-FSSWDIPSSA-N 2 3 362.606 2.600 20 0 FFADHP [NH3+]CCC[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623812 1017802556 /nfs/dbraw/zinc/80/25/56/1017802556.db2.gz SVRJYSFBQKRKNX-FGZHOGPDSA-N 2 3 353.510 2.693 20 0 FFADHP [NH3+]CCC[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623812 1017802577 /nfs/dbraw/zinc/80/25/77/1017802577.db2.gz SVRJYSFBQKRKNX-FGZHOGPDSA-N 2 3 353.510 2.693 20 0 FFADHP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1CN1CCCCC1 ZINC000925814106 1017858702 /nfs/dbraw/zinc/85/87/02/1017858702.db2.gz FXKMVYHFSAETKF-SFHVURJKSA-N 2 3 374.573 2.755 20 0 FFADHP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000925843604 1017867248 /nfs/dbraw/zinc/86/72/48/1017867248.db2.gz FWMOWKASYBMCTD-IRLDBZIGSA-N 2 3 358.574 2.562 20 0 FFADHP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000925843606 1017869443 /nfs/dbraw/zinc/86/94/43/1017869443.db2.gz FWMOWKASYBMCTD-UNMCSNQZSA-N 2 3 358.574 2.562 20 0 FFADHP c1ccc(C[NH+]2CCC(CN3CCN(CC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001207292518 1037322300 /nfs/dbraw/zinc/32/23/00/1037322300.db2.gz SFBCGWVNIUKCHG-UHFFFAOYSA-N 2 3 370.585 2.612 20 0 FFADHP C[NH2+]CC[C@H](C)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001246189350 1039270009 /nfs/dbraw/zinc/27/00/09/1039270009.db2.gz CJZPNAJZKNOZSV-QGQQZZQASA-N 2 3 369.553 2.506 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC001246233544 1039285241 /nfs/dbraw/zinc/28/52/41/1039285241.db2.gz DEWCJBGBUUZVOJ-JOCHJYFZSA-N 2 3 370.585 2.836 20 0 FFADHP CC(C)N(CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000849053632 1055601662 /nfs/dbraw/zinc/60/16/62/1055601662.db2.gz DZECREJIMUEQSQ-UHFFFAOYSA-N 2 3 359.562 2.884 20 0 FFADHP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248402299 509296347 /nfs/dbraw/zinc/29/63/47/509296347.db2.gz NBMJXZDUUPNIGQ-DNVJHFABSA-N 2 3 371.569 2.581 20 0 FFADHP CN(CC[C@@H]1CCC[N@@H+]1C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475305 512965301 /nfs/dbraw/zinc/96/53/01/512965301.db2.gz ZCCITSHTLNVXPR-FQEVSTJZSA-N 2 3 350.595 2.599 20 0 FFADHP CN(CC[C@@H]1CCC[N@H+]1C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475305 512965304 /nfs/dbraw/zinc/96/53/04/512965304.db2.gz ZCCITSHTLNVXPR-FQEVSTJZSA-N 2 3 350.595 2.599 20 0 FFADHP CN1CCC[C@H]1CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475305 512965308 /nfs/dbraw/zinc/96/53/08/512965308.db2.gz ZCCITSHTLNVXPR-FQEVSTJZSA-N 2 3 350.595 2.599 20 0 FFADHP CN1CCC[C@H]1CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368475305 512965312 /nfs/dbraw/zinc/96/53/12/512965312.db2.gz ZCCITSHTLNVXPR-FQEVSTJZSA-N 2 3 350.595 2.599 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C(C)(C)CN1CC[C@@H]1CCC[NH+]1C ZINC000451085780 513508376 /nfs/dbraw/zinc/50/83/76/513508376.db2.gz RHLSGRGWITVILG-HSALFYBXSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C(C)(C)CN1CC[C@@H]1CCC[NH+]1C ZINC000451085780 513508384 /nfs/dbraw/zinc/50/83/84/513508384.db2.gz RHLSGRGWITVILG-HSALFYBXSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000451085780 513508392 /nfs/dbraw/zinc/50/83/92/513508392.db2.gz RHLSGRGWITVILG-HSALFYBXSA-N 2 3 350.595 2.740 20 0 FFADHP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)C(C)(C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000451085780 513508395 /nfs/dbraw/zinc/50/83/95/513508395.db2.gz RHLSGRGWITVILG-HSALFYBXSA-N 2 3 350.595 2.740 20 0 FFADHP CCN1CCN(c2ccccc2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000470022014 516084831 /nfs/dbraw/zinc/08/48/31/516084831.db2.gz GACWRFOPJJSBQZ-OAQYLSRUSA-N 2 3 356.558 2.793 20 0 FFADHP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001167840742 976484702 /nfs/dbraw/zinc/48/47/02/976484702.db2.gz IFFUAFJSNGCKMS-OALUTQOASA-N 2 3 367.578 2.846 20 0 FFADHP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001167840742 976484712 /nfs/dbraw/zinc/48/47/12/976484712.db2.gz IFFUAFJSNGCKMS-OALUTQOASA-N 2 3 367.578 2.846 20 0 FFADHP [NH3+]CCCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172080007 1011615667 /nfs/dbraw/zinc/61/56/67/1011615667.db2.gz RZUZVYBKWWZHPD-NUNAXRQHSA-N 2 3 370.585 2.929 20 0 FFADHP [NH3+]CCCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172080007 1011615672 /nfs/dbraw/zinc/61/56/72/1011615672.db2.gz RZUZVYBKWWZHPD-NUNAXRQHSA-N 2 3 370.585 2.929 20 0 FFADHP [NH3+]CCC[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623810 1017803714 /nfs/dbraw/zinc/80/37/14/1017803714.db2.gz SVRJYSFBQKRKNX-FCHUYYIVSA-N 2 3 353.510 2.693 20 0 FFADHP [NH3+]CCC[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623810 1017803727 /nfs/dbraw/zinc/80/37/27/1017803727.db2.gz SVRJYSFBQKRKNX-FCHUYYIVSA-N 2 3 353.510 2.693 20 0 FFADHP c1ccc([C@H]2C[C@H](NCc3ccc(CN4CC[NH2+]CC4)cc3)CC[NH2+]2)cc1 ZINC000925817034 1017860880 /nfs/dbraw/zinc/86/08/80/1017860880.db2.gz MGQQJBCVURKIOY-DHIUTWEWSA-N 2 3 364.537 2.675 20 0 FFADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C3)cc1 ZINC000925847101 1017867105 /nfs/dbraw/zinc/86/71/05/1017867105.db2.gz ZRGMBQGNIGPFFO-WBDAEOGXSA-N 2 3 370.585 2.847 20 0 FFADHP [NH3+]CCCC[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1F ZINC000902405281 1020174579 /nfs/dbraw/zinc/17/45/79/1020174579.db2.gz KCDHPRWVEUMNFE-LPHOPBHVSA-N 2 3 367.484 2.883 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001246238530 1039284866 /nfs/dbraw/zinc/28/48/66/1039284866.db2.gz WDQYWFRKMASAJW-PKTZIBPZSA-N 2 3 370.585 2.836 20 0 FFADHP CCN1CCN(Cc2ccc(C[NH2+]C3CCC4(CC[NH2+]C4)CC3)cc2)CC1 ZINC001246240029 1039286203 /nfs/dbraw/zinc/28/62/03/1039286203.db2.gz ZSXUNVXBAPUVSK-UHFFFAOYSA-N 2 3 370.585 2.836 20 0 FFADHP COc1cccc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246374032 1039328478 /nfs/dbraw/zinc/32/84/78/1039328478.db2.gz DYOGNYAOPXNJJD-CTNGQTDRSA-N 2 3 357.542 2.872 20 0 FFADHP CCN(CC)C[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001253184755 1040030551 /nfs/dbraw/zinc/03/05/51/1040030551.db2.gz KCOIKSXQYKBTRV-GOSISDBHSA-N 2 3 365.587 2.739 20 0 FFADHP CCN(CC)C[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001253184755 1040030569 /nfs/dbraw/zinc/03/05/69/1040030569.db2.gz KCOIKSXQYKBTRV-GOSISDBHSA-N 2 3 365.587 2.739 20 0 FFADHP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](C)C1 ZINC000849059853 1055613651 /nfs/dbraw/zinc/61/36/51/1055613651.db2.gz SIEACNRSTOKZCS-MOPGFXCFSA-N 2 3 371.573 2.885 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001577536150 1078375493 /nfs/dbraw/zinc/37/54/93/1078375493.db2.gz PMNSXPDIYXUJND-HLAWJBBLSA-N 2 3 356.558 2.696 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854577 510103738 /nfs/dbraw/zinc/10/37/38/510103738.db2.gz CRMFZXFEOPCLAP-UYAOXDASSA-N 2 3 363.546 2.515 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854577 510103741 /nfs/dbraw/zinc/10/37/41/510103741.db2.gz CRMFZXFEOPCLAP-UYAOXDASSA-N 2 3 363.546 2.515 20 0 FFADHP CC[NH+](CC)CCCN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000365191135 511309533 /nfs/dbraw/zinc/30/95/33/511309533.db2.gz JUBJFIZYAUTJBS-UHFFFAOYSA-N 2 3 352.611 2.846 20 0 FFADHP CCN(CC)CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000365191135 511309537 /nfs/dbraw/zinc/30/95/37/511309537.db2.gz JUBJFIZYAUTJBS-UHFFFAOYSA-N 2 3 352.611 2.846 20 0 FFADHP CCN(CC)CCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000365191135 511309541 /nfs/dbraw/zinc/30/95/41/511309541.db2.gz JUBJFIZYAUTJBS-UHFFFAOYSA-N 2 3 352.611 2.846 20 0 FFADHP COC[C@H](CCC[NH3+])[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422875111 513959248 /nfs/dbraw/zinc/95/92/48/513959248.db2.gz BYEONOKAIAXANC-SFHVURJKSA-N 2 3 353.938 2.896 20 0 FFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000422915910 513975931 /nfs/dbraw/zinc/97/59/31/513975931.db2.gz ZIKBRCQFTSNNAO-MXKPZRPRSA-N 2 3 373.541 2.721 20 0 FFADHP c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193477 514077477 /nfs/dbraw/zinc/07/74/77/514077477.db2.gz WNMRYHMDOBJCPT-RJGXRXQPSA-N 2 3 370.585 2.562 20 0 FFADHP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000643457705 979822853 /nfs/dbraw/zinc/82/28/53/979822853.db2.gz YIUFEBWUVSWRPT-YUMYIRISSA-N 2 3 357.542 2.645 20 0 FFADHP COc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1CN1CCCCC1 ZINC000817936495 1007816354 /nfs/dbraw/zinc/81/63/54/1007816354.db2.gz OZBWCICYABFRFC-IBGZPJMESA-N 2 3 374.573 2.627 20 0 FFADHP CN1Cc2c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cccc2[C@@H](c2ccccc2)C1 ZINC001219047391 1033486826 /nfs/dbraw/zinc/48/68/26/1033486826.db2.gz XCPADEAAHUAMDM-QUCCMNQESA-N 2 3 366.509 2.659 20 0 FFADHP C[C@H]1C[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])CCN1Cc1ccccc1 ZINC001256529988 1038546710 /nfs/dbraw/zinc/54/67/10/1038546710.db2.gz HLJQQZMVPRMPJJ-ZFWWWQNUSA-N 2 3 365.572 2.924 20 0 FFADHP CC1(C)C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246146111 1039257222 /nfs/dbraw/zinc/25/72/22/1039257222.db2.gz NREVPTCBLGCGDS-RTWAWAEBSA-N 2 3 370.585 2.893 20 0 FFADHP CC1(C)C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246146111 1039257232 /nfs/dbraw/zinc/25/72/32/1039257232.db2.gz NREVPTCBLGCGDS-RTWAWAEBSA-N 2 3 370.585 2.893 20 0 FFADHP COc1cccc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246379602 1039328517 /nfs/dbraw/zinc/32/85/17/1039328517.db2.gz ZHRHMXDKEJLPAW-IBGZPJMESA-N 2 3 357.542 2.872 20 0 FFADHP COc1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246417572 1039346284 /nfs/dbraw/zinc/34/62/84/1039346284.db2.gz ARKWLZVYSJXNRP-ACDBMABISA-N 2 3 357.542 2.870 20 0 FFADHP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1)C2 ZINC001246496478 1039373561 /nfs/dbraw/zinc/37/35/61/1039373561.db2.gz PZROLGSQTCRJKT-PLACYPQZSA-N 2 3 373.541 2.832 20 0 FFADHP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1)C2 ZINC001246496478 1039373574 /nfs/dbraw/zinc/37/35/74/1039373574.db2.gz PZROLGSQTCRJKT-PLACYPQZSA-N 2 3 373.541 2.832 20 0 FFADHP C[C@H]([NH3+])C1CCN(Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001576119919 1078197792 /nfs/dbraw/zinc/19/77/92/1078197792.db2.gz MWALCTSKPDVIKP-LBPRGKRZSA-N 2 3 355.429 2.629 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000503070737 514905032 /nfs/dbraw/zinc/90/50/32/514905032.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000503070737 514905038 /nfs/dbraw/zinc/90/50/38/514905038.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000503070737 514905049 /nfs/dbraw/zinc/90/50/49/514905049.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000503070737 514905061 /nfs/dbraw/zinc/90/50/61/514905061.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC[C@@H]1CCCN1C ZINC000503070737 514905071 /nfs/dbraw/zinc/90/50/71/514905071.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CC[C@@H]1CCCN1C ZINC000503070737 514905085 /nfs/dbraw/zinc/90/50/85/514905085.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000503070737 514905095 /nfs/dbraw/zinc/90/50/95/514905095.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CC[C@H](C)[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000503070737 514905107 /nfs/dbraw/zinc/90/51/07/514905107.db2.gz CRKLRFBODGTRRT-CMOCDZPBSA-N 2 3 364.622 2.987 20 0 FFADHP CCN1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000470022013 516083143 /nfs/dbraw/zinc/08/31/43/516083143.db2.gz GACWRFOPJJSBQZ-NRFANRHFSA-N 2 3 356.558 2.793 20 0 FFADHP Cc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000676876588 1016036189 /nfs/dbraw/zinc/03/61/89/1016036189.db2.gz VERUPGVNOPNHOR-FCGDIQPGSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000676876588 1016036195 /nfs/dbraw/zinc/03/61/95/1016036195.db2.gz VERUPGVNOPNHOR-FCGDIQPGSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)n1 ZINC000676876588 1016036201 /nfs/dbraw/zinc/03/62/01/1016036201.db2.gz VERUPGVNOPNHOR-FCGDIQPGSA-N 2 3 370.545 2.862 20 0 FFADHP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)n1 ZINC000676876588 1016036209 /nfs/dbraw/zinc/03/62/09/1016036209.db2.gz VERUPGVNOPNHOR-FCGDIQPGSA-N 2 3 370.545 2.862 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145741 1006532263 /nfs/dbraw/zinc/53/22/63/1006532263.db2.gz CZPLZUBNRHRSNJ-BHIFYINESA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145741 1006532274 /nfs/dbraw/zinc/53/22/74/1006532274.db2.gz CZPLZUBNRHRSNJ-BHIFYINESA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[NH+](C)C2)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145741 1006532285 /nfs/dbraw/zinc/53/22/85/1006532285.db2.gz CZPLZUBNRHRSNJ-BHIFYINESA-N 2 3 362.606 2.600 20 0 FFADHP C[C@H](CCN1CC[C@@]2(C1)CCC[NH+](C)C2)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815145741 1006532296 /nfs/dbraw/zinc/53/22/96/1006532296.db2.gz CZPLZUBNRHRSNJ-BHIFYINESA-N 2 3 362.606 2.600 20 0 FFADHP CCC[NH+](CCC)CCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256862549 1038638960 /nfs/dbraw/zinc/63/89/60/1038638960.db2.gz OCBYENSTQSPJMU-UHFFFAOYSA-N 2 3 373.589 2.790 20 0 FFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139521 1039254917 /nfs/dbraw/zinc/25/49/17/1039254917.db2.gz DEEDKENAMBCRQB-YSFYHYPLSA-N 2 3 368.569 2.646 20 0 FFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC4(CCNCC4)[NH2+]2)C3)cc1 ZINC001246139521 1039254931 /nfs/dbraw/zinc/25/49/31/1039254931.db2.gz DEEDKENAMBCRQB-YSFYHYPLSA-N 2 3 368.569 2.646 20 0 FFADHP C[C@H]1OC2(C[C@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)CC[NH+](C)CC2 ZINC001550517160 1074327854 /nfs/dbraw/zinc/32/78/54/1074327854.db2.gz XXMLOKZOMNEOLV-WIYYLYMNSA-N 2 3 372.557 2.525 20 0 FFADHP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000272612614 252081342 /nfs/dbraw/zinc/08/13/42/252081342.db2.gz WPTJXYXLEDLZLW-YPAWHYETSA-N 2 3 371.569 2.722 20 0 FFADHP C[NH+]1CCC[C@H]2CN(CCCCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246935065 510755075 /nfs/dbraw/zinc/75/50/75/510755075.db2.gz NJJUDAOXYIYTCG-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@H]2CN(CCCCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246935065 510755079 /nfs/dbraw/zinc/75/50/79/510755079.db2.gz NJJUDAOXYIYTCG-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000246935065 510755084 /nfs/dbraw/zinc/75/50/84/510755084.db2.gz NJJUDAOXYIYTCG-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CCC[C@@H]2CN(CCCCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000246935065 510755087 /nfs/dbraw/zinc/75/50/87/510755087.db2.gz NJJUDAOXYIYTCG-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193479 514076753 /nfs/dbraw/zinc/07/67/53/514076753.db2.gz WNMRYHMDOBJCPT-VABKMULXSA-N 2 3 370.585 2.562 20 0 FFADHP CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000414767637 514281537 /nfs/dbraw/zinc/28/15/37/514281537.db2.gz KAOWOFBAASHCCG-BGYRXZFFSA-N 2 3 356.558 2.650 20 0 FFADHP CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000414767637 514281542 /nfs/dbraw/zinc/28/15/42/514281542.db2.gz KAOWOFBAASHCCG-BGYRXZFFSA-N 2 3 356.558 2.650 20 0 FFADHP C[N@H+](CCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821362 519292151 /nfs/dbraw/zinc/29/21/51/519292151.db2.gz RCROWUCPRGOPBJ-OALUTQOASA-N 2 3 361.530 2.536 20 0 FFADHP C[N@@H+](CCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1)C1CCOCC1 ZINC000571821362 519292156 /nfs/dbraw/zinc/29/21/56/519292156.db2.gz RCROWUCPRGOPBJ-OALUTQOASA-N 2 3 361.530 2.536 20 0 FFADHP C[C@H]1CC(N2CCN(CCCC[NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036425 971154909 /nfs/dbraw/zinc/15/49/09/971154909.db2.gz WOWSFJNYNFNZPI-PMACEKPBSA-N 2 3 358.574 2.785 20 0 FFADHP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886538764 1008726801 /nfs/dbraw/zinc/72/68/01/1008726801.db2.gz NOYLWENCYVCZNP-CMOCDZPBSA-N 2 3 359.558 2.986 20 0 FFADHP CC1(C)C[C@H](N2CCN(CCCC[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171980366 1011574386 /nfs/dbraw/zinc/57/43/86/1011574386.db2.gz UVMMXDCFHCUDCX-OAQYLSRUSA-N 2 3 358.574 2.786 20 0 FFADHP CC1(C)C[C@H](N2CCN(CCCC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980366 1011574401 /nfs/dbraw/zinc/57/44/01/1011574401.db2.gz UVMMXDCFHCUDCX-OAQYLSRUSA-N 2 3 358.574 2.786 20 0 FFADHP C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499881 1020239478 /nfs/dbraw/zinc/23/94/78/1020239478.db2.gz LBFQHCWKBJQLNN-CJFIXGCPSA-N 2 3 351.494 2.790 20 0 FFADHP C[N@H+](Cc1ccccc1NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CCCCC1 ZINC001219023431 1033472706 /nfs/dbraw/zinc/47/27/06/1033472706.db2.gz CATUQYJLDCTVIK-HXUWFJFHSA-N 2 3 358.530 2.717 20 0 FFADHP C[N@@H+](Cc1ccccc1NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CCCCC1 ZINC001219023431 1033472713 /nfs/dbraw/zinc/47/27/13/1033472713.db2.gz CATUQYJLDCTVIK-HXUWFJFHSA-N 2 3 358.530 2.717 20 0 FFADHP c1cc(C[NH+]2CCC(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)ccn1 ZINC001256680968 1038600526 /nfs/dbraw/zinc/60/05/26/1038600526.db2.gz GSTXXQAILORZSM-UHFFFAOYSA-N 2 3 372.557 2.527 20 0 FFADHP CC1(C)C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246146104 1039258299 /nfs/dbraw/zinc/25/82/99/1039258299.db2.gz NREVPTCBLGCGDS-LEWJYISDSA-N 2 3 370.585 2.893 20 0 FFADHP CC1(C)C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246146104 1039258311 /nfs/dbraw/zinc/25/83/11/1039258311.db2.gz NREVPTCBLGCGDS-LEWJYISDSA-N 2 3 370.585 2.893 20 0 FFADHP FC(F)(F)c1ccccc1C1([NH2+][C@H]2CSC3(C[NH2+]C3)C2)CCNCC1 ZINC001246449755 1039360163 /nfs/dbraw/zinc/36/01/63/1039360163.db2.gz HWPISBMGHTWRGH-CYBMUJFWSA-N 2 3 371.472 2.721 20 0 FFADHP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272524136 252060630 /nfs/dbraw/zinc/06/06/30/252060630.db2.gz AAGBQCDOQXVQCU-RBBKRZOGSA-N 2 3 358.574 2.514 20 0 FFADHP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272524136 252060634 /nfs/dbraw/zinc/06/06/34/252060634.db2.gz AAGBQCDOQXVQCU-RBBKRZOGSA-N 2 3 358.574 2.514 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854575 510102537 /nfs/dbraw/zinc/10/25/37/510102537.db2.gz CRMFZXFEOPCLAP-QUCCMNQESA-N 2 3 363.546 2.515 20 0 FFADHP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OCCN(C)C)cc1 ZINC000268854575 510102539 /nfs/dbraw/zinc/10/25/39/510102539.db2.gz CRMFZXFEOPCLAP-QUCCMNQESA-N 2 3 363.546 2.515 20 0 FFADHP CN1CCC[C@H]1CC[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000362399960 511187657 /nfs/dbraw/zinc/18/76/57/511187657.db2.gz CXRSEXMNEWQTMX-PWRODBHTSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@H]1CC[N@H+](C)[C@@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399960 511187647 /nfs/dbraw/zinc/18/76/47/511187647.db2.gz CXRSEXMNEWQTMX-PWRODBHTSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@H]1CC[N@@H+](C)[C@@H]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000362399960 511187652 /nfs/dbraw/zinc/18/76/52/511187652.db2.gz CXRSEXMNEWQTMX-PWRODBHTSA-N 2 3 350.595 2.741 20 0 FFADHP CN1CCC[C@H]1CC[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000362399960 511187662 /nfs/dbraw/zinc/18/76/62/511187662.db2.gz CXRSEXMNEWQTMX-PWRODBHTSA-N 2 3 350.595 2.741 20 0 FFADHP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542820298 517764732 /nfs/dbraw/zinc/76/47/32/517764732.db2.gz YPYJXHYWISSWDQ-RBBKRZOGSA-N 2 3 358.574 2.514 20 0 FFADHP CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)ccn1 ZINC000895501572 970685737 /nfs/dbraw/zinc/68/57/37/970685737.db2.gz XQYPTPWNZFNWRP-NRFANRHFSA-N 2 3 360.546 2.717 20 0 FFADHP CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3CC[NH+](C)CC3)C2)ccn1 ZINC000895501572 970685742 /nfs/dbraw/zinc/68/57/42/970685742.db2.gz XQYPTPWNZFNWRP-NRFANRHFSA-N 2 3 360.546 2.717 20 0 FFADHP c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647784379 1012581888 /nfs/dbraw/zinc/58/18/88/1012581888.db2.gz SEKCMTZEQVCQJB-XPWALMASSA-N 2 3 370.585 2.562 20 0 FFADHP c1c(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222615164 1033077381 /nfs/dbraw/zinc/07/73/81/1033077381.db2.gz MBOFOIXPKPJBME-QFIPXVFZSA-N 2 3 372.516 2.934 20 0 FFADHP c1c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222615164 1033077371 /nfs/dbraw/zinc/07/73/71/1033077371.db2.gz MBOFOIXPKPJBME-QFIPXVFZSA-N 2 3 372.516 2.934 20 0 FFADHP c1ccc(N2CC[NH2+]CC2)c(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375132 1038061278 /nfs/dbraw/zinc/06/12/78/1038061278.db2.gz XBNUPTXPAGLSHH-IBGZPJMESA-N 2 3 356.558 2.840 20 0 FFADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001258007230 1039105951 /nfs/dbraw/zinc/10/59/51/1039105951.db2.gz SIFWUBVBAAPFDV-UHFFFAOYSA-N 2 3 351.579 2.835 20 0 FFADHP Brc1ccc(C2(N[C@@H]3CCC4(C[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246183665 1039268453 /nfs/dbraw/zinc/26/84/53/1039268453.db2.gz HYUSOHUONVYALH-MRXNPFEDSA-N 2 3 364.331 2.760 20 0 FFADHP COC(=O)c1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246439786 1039356274 /nfs/dbraw/zinc/35/62/74/1039356274.db2.gz ALRWFTFGVFUZJR-MVJPYGJCSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246439786 1039356290 /nfs/dbraw/zinc/35/62/90/1039356290.db2.gz ALRWFTFGVFUZJR-MVJPYGJCSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246439788 1039357936 /nfs/dbraw/zinc/35/79/36/1039357936.db2.gz ALRWFTFGVFUZJR-XLNTUCKNSA-N 2 3 359.514 2.686 20 0 FFADHP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246439788 1039357946 /nfs/dbraw/zinc/35/79/46/1039357946.db2.gz ALRWFTFGVFUZJR-XLNTUCKNSA-N 2 3 359.514 2.686 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000848989229 1055477233 /nfs/dbraw/zinc/47/72/33/1055477233.db2.gz HPLCGWNVHVYCHC-CEWLAPEOSA-N 2 3 371.573 2.885 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989229 1055477242 /nfs/dbraw/zinc/47/72/42/1055477242.db2.gz HPLCGWNVHVYCHC-CEWLAPEOSA-N 2 3 371.573 2.885 20 0 FFADHP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423502576 514153674 /nfs/dbraw/zinc/15/36/74/514153674.db2.gz FEOXJZYLCZFRAV-QBHIOLROSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423502576 514153680 /nfs/dbraw/zinc/15/36/80/514153680.db2.gz FEOXJZYLCZFRAV-QBHIOLROSA-N 2 3 370.585 2.703 20 0 FFADHP C[C@H](CCN1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431608951 568383343 /nfs/dbraw/zinc/38/33/43/568383343.db2.gz ZBNWQZTYEVIVRB-FSSWDIPSSA-N 2 3 362.606 2.600 20 0 FFADHP C[NH+]1CC[C@H]2CN(CCCCCCN3CC[C@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879576740 1015594410 /nfs/dbraw/zinc/59/44/10/1015594410.db2.gz DONPNERLZYMHGJ-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@H]2CN(CCCCCCN3CC[C@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879576740 1015594420 /nfs/dbraw/zinc/59/44/20/1015594420.db2.gz DONPNERLZYMHGJ-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)CC[C@@H]21 ZINC000879576740 1015594426 /nfs/dbraw/zinc/59/44/26/1015594426.db2.gz DONPNERLZYMHGJ-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP C[NH+]1CC[C@@H]2CN(CCCCCCN3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)CC[C@@H]21 ZINC000879576740 1015594438 /nfs/dbraw/zinc/59/44/38/1015594438.db2.gz DONPNERLZYMHGJ-ZDNVTZCJSA-N 2 3 362.606 2.599 20 0 FFADHP OC1(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941854 1025232695 /nfs/dbraw/zinc/23/26/95/1025232695.db2.gz YXFGHSANWLRUCM-NHCUHLMSSA-N 2 3 357.542 2.620 20 0 FFADHP OC1(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000717941854 1025232701 /nfs/dbraw/zinc/23/27/01/1025232701.db2.gz YXFGHSANWLRUCM-NHCUHLMSSA-N 2 3 357.542 2.620 20 0 FFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685367 1038601446 /nfs/dbraw/zinc/60/14/46/1038601446.db2.gz DPRLQYBPJXCICF-IKVFXUPASA-N 2 3 372.557 2.797 20 0 FFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685367 1038601447 /nfs/dbraw/zinc/60/14/47/1038601447.db2.gz DPRLQYBPJXCICF-IKVFXUPASA-N 2 3 372.557 2.797 20 0 FFADHP COc1ccc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246373997 1039328030 /nfs/dbraw/zinc/32/80/30/1039328030.db2.gz DRAVSEYTNBGTHZ-PZJWPPBQSA-N 2 3 357.542 2.872 20 0 FFADHP COc1ccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246389983 1039333130 /nfs/dbraw/zinc/33/31/30/1039333130.db2.gz RLVJEMSIMPJSCL-PMOLBWCYSA-N 2 3 357.542 2.870 20 0 FFADHP CC(C)C1=[NH+]CCc2ccc(CN3CCC([NH+]4CCN(C)CC4)CC3)cc21 ZINC001237883348 1043415502 /nfs/dbraw/zinc/41/55/02/1043415502.db2.gz WVVYMADUMPSEJQ-UHFFFAOYSA-N 2 3 368.569 2.900 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085481 1055633357 /nfs/dbraw/zinc/63/33/57/1055633357.db2.gz OINVHGANIGMZSN-NHCUHLMSSA-N 2 3 371.573 2.887 20 0 FFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085481 1055633359 /nfs/dbraw/zinc/63/33/59/1055633359.db2.gz OINVHGANIGMZSN-NHCUHLMSSA-N 2 3 371.573 2.887 20 0 FFADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000849085482 1055633584 /nfs/dbraw/zinc/63/35/84/1055633584.db2.gz OINVHGANIGMZSN-RTWAWAEBSA-N 2 3 371.573 2.887 20 0 FFADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085482 1055633591 /nfs/dbraw/zinc/63/35/91/1055633591.db2.gz OINVHGANIGMZSN-RTWAWAEBSA-N 2 3 371.573 2.887 20 0 FFADHP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849087510 1055635077 /nfs/dbraw/zinc/63/50/77/1055635077.db2.gz UZBSYQWTJOSIEG-FQEVSTJZSA-N 2 3 371.573 2.743 20 0 FFADHP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849087510 1055635083 /nfs/dbraw/zinc/63/50/83/1055635083.db2.gz UZBSYQWTJOSIEG-FQEVSTJZSA-N 2 3 371.573 2.743 20 0 FFADHP CC1(N2CCOCC2)CCC([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC001576535007 1078240216 /nfs/dbraw/zinc/24/02/16/1078240216.db2.gz NHAHAMQVKWUKMJ-GUIIPBGCSA-N 2 3 357.542 2.669 20 0 FFADHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001577536147 1078375231 /nfs/dbraw/zinc/37/52/31/1078375231.db2.gz PMNSXPDIYXUJND-CEWLAPEOSA-N 2 3 356.558 2.696 20 0 FFADHP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001550422149 1074259481 /nfs/dbraw/zinc/25/94/81/1074259481.db2.gz NQFZKYQWFZSSQL-LRSLUSHPSA-N 2 3 363.590 2.853 20 0 FFADHP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001550422149 1074259484 /nfs/dbraw/zinc/25/94/84/1074259484.db2.gz NQFZKYQWFZSSQL-LRSLUSHPSA-N 2 3 363.590 2.853 20 0 FFADHP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000268842413 510094557 /nfs/dbraw/zinc/09/45/57/510094557.db2.gz FVBRTRKCDUTPKD-NZQKXSOJSA-N 2 3 372.601 2.760 20 0 FFADHP C[C@@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000269002350 510185681 /nfs/dbraw/zinc/18/56/81/510185681.db2.gz VBBZHEWJGWEBND-CTNGQTDRSA-N 2 3 358.574 2.655 20 0 FFADHP C[C@@H]1C[C@@H](NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000269002350 510185687 /nfs/dbraw/zinc/18/56/87/510185687.db2.gz VBBZHEWJGWEBND-CTNGQTDRSA-N 2 3 358.574 2.655 20 0 FFADHP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274977973 512005301 /nfs/dbraw/zinc/00/53/01/512005301.db2.gz YURBIQKNOQSMSN-TZIWHRDSSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@@H](NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977973 512005306 /nfs/dbraw/zinc/00/53/06/512005306.db2.gz YURBIQKNOQSMSN-TZIWHRDSSA-N 2 3 358.574 2.513 20 0 FFADHP C[C@@H](NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274977973 512005310 /nfs/dbraw/zinc/00/53/10/512005310.db2.gz YURBIQKNOQSMSN-TZIWHRDSSA-N 2 3 358.574 2.513 20 0 FFADHP CN(C/C=C/CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375751881 512486001 /nfs/dbraw/zinc/48/60/01/512486001.db2.gz XXXFZGDCESGYMY-PQBGFKEJSA-N 2 3 360.590 2.657 20 0 FFADHP CN(C/C=C/CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375751881 512486003 /nfs/dbraw/zinc/48/60/03/512486003.db2.gz XXXFZGDCESGYMY-PQBGFKEJSA-N 2 3 360.590 2.657 20 0 FFADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422741080 513918491 /nfs/dbraw/zinc/91/84/91/513918491.db2.gz NSXSBHHQFFABDD-MRXNPFEDSA-N 2 3 356.514 2.682 20 0 FFADHP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423516067 514157081 /nfs/dbraw/zinc/15/70/81/514157081.db2.gz ANSXMXLRJPJJLN-KNQAVFIVSA-N 2 3 366.553 2.528 20 0 FFADHP CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773316 /nfs/dbraw/zinc/77/33/16/514773316.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773317 /nfs/dbraw/zinc/77/33/17/514773317.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773319 /nfs/dbraw/zinc/77/33/19/514773319.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@@H]([NH+](C)CCCN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773321 /nfs/dbraw/zinc/77/33/21/514773321.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773323 /nfs/dbraw/zinc/77/33/23/514773323.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773325 /nfs/dbraw/zinc/77/33/25/514773325.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773326 /nfs/dbraw/zinc/77/33/26/514773326.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP CCN1CC[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000489256643 514773327 /nfs/dbraw/zinc/77/33/27/514773327.db2.gz OTWYOVBKAKGIMN-NCYKPQTJSA-N 2 3 352.611 2.986 20 0 FFADHP C[NH+]1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)(N2CCCCC2)CC1 ZINC000459410842 515534866 /nfs/dbraw/zinc/53/48/66/515534866.db2.gz CTCJGXDMZRPHDL-UHFFFAOYSA-N 2 3 371.573 2.590 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513345325 516576728 /nfs/dbraw/zinc/57/67/28/516576728.db2.gz JGNSPZVIUIVIIF-AZUAARDMSA-N 2 3 351.579 2.854 20 0 FFADHP CCCN1CCN(c2ccccc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000261941878 964790453 /nfs/dbraw/zinc/79/04/53/964790453.db2.gz DUVLRHOWUTWTAN-UHFFFAOYSA-N 2 3 356.558 2.794 20 0 FFADHP CCCN1CCN(c2ccccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000261941878 964790465 /nfs/dbraw/zinc/79/04/65/964790465.db2.gz DUVLRHOWUTWTAN-UHFFFAOYSA-N 2 3 356.558 2.794 20 0 FFADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526119 1008718494 /nfs/dbraw/zinc/71/84/94/1008718494.db2.gz FOWJBIIUYICEPX-BJESRGMDSA-N 2 3 371.569 2.866 20 0 FFADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526119 1008718517 /nfs/dbraw/zinc/71/85/17/1008718517.db2.gz FOWJBIIUYICEPX-BJESRGMDSA-N 2 3 371.569 2.866 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678775352 1017589265 /nfs/dbraw/zinc/58/92/65/1017589265.db2.gz ORFGMAXCIHOBAJ-LEWJYISDSA-N 2 3 357.542 2.920 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678775352 1017589281 /nfs/dbraw/zinc/58/92/81/1017589281.db2.gz ORFGMAXCIHOBAJ-LEWJYISDSA-N 2 3 357.542 2.920 20 0 FFADHP c1ccc([C@@H]2C[C@H](NCc3ccc(CN4CC[NH2+]CC4)cc3)CC[NH2+]2)cc1 ZINC000925817036 1017861036 /nfs/dbraw/zinc/86/10/36/1017861036.db2.gz MGQQJBCVURKIOY-PKTZIBPZSA-N 2 3 364.537 2.675 20 0 FFADHP [NH3+]C1CCN(Cc2ccccc2-c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205581913 1031850096 /nfs/dbraw/zinc/85/00/96/1031850096.db2.gz MTRRCSGIFDMPKD-UHFFFAOYSA-N 2 3 350.510 2.686 20 0 FFADHP Clc1ccc(CN2CCC(C[NH2+][C@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246366062 1039325594 /nfs/dbraw/zinc/32/55/94/1039325594.db2.gz LGMCPIYTUJWDMR-GOSISDBHSA-N 2 3 365.974 2.989 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246616935 1039416869 /nfs/dbraw/zinc/41/68/69/1039416869.db2.gz CXKAGJWCKMXCJD-LRSLUSHPSA-N 2 3 369.553 2.788 20 0 FFADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001246616935 1039416876 /nfs/dbraw/zinc/41/68/76/1039416876.db2.gz CXKAGJWCKMXCJD-LRSLUSHPSA-N 2 3 369.553 2.788 20 0 FFADHP CN(c1ccccc1CN1C[C@H]2CCC[C@]2(C[NH3+])C1)C1CC[NH+](C)CC1 ZINC001549088464 1073639579 /nfs/dbraw/zinc/63/95/79/1073639579.db2.gz ZBGFHQBTYCHSLW-KNQAVFIVSA-N 2 3 356.558 2.778 20 0 FFADHP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000268842411 510094802 /nfs/dbraw/zinc/09/48/02/510094802.db2.gz FVBRTRKCDUTPKD-NFBKMPQASA-N 2 3 372.601 2.760 20 0 FFADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414784435 514291248 /nfs/dbraw/zinc/29/12/48/514291248.db2.gz RFWPSEXWXKIJHT-VQTJNVASSA-N 2 3 356.558 2.650 20 0 FFADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414784435 514291254 /nfs/dbraw/zinc/29/12/54/514291254.db2.gz RFWPSEXWXKIJHT-VQTJNVASSA-N 2 3 356.558 2.650 20 0 FFADHP Cc1nc(N2CCC[C@@H]([NH+](C)C)CC2)cc(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000518287099 516601673 /nfs/dbraw/zinc/60/16/73/516601673.db2.gz DVHSMVOLNFVJBU-KDURUIRLSA-N 2 3 374.577 2.626 20 0 FFADHP C[C@H](CCN1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431608953 568383309 /nfs/dbraw/zinc/38/33/09/568383309.db2.gz ZBNWQZTYEVIVRB-VSKRKVRLSA-N 2 3 362.606 2.600 20 0 FFADHP C(C1CC1)N1CCC([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CC1 ZINC001168362787 976638713 /nfs/dbraw/zinc/63/87/13/976638713.db2.gz IXQVOMXUMOLCLN-AFARHQOCSA-N 2 3 374.617 2.789 20 0 FFADHP CC1(C)C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171980361 1011576356 /nfs/dbraw/zinc/57/63/56/1011576356.db2.gz UVMMXDCFHCUDCX-NRFANRHFSA-N 2 3 358.574 2.786 20 0 FFADHP CC1(C)C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980361 1011576372 /nfs/dbraw/zinc/57/63/72/1011576372.db2.gz UVMMXDCFHCUDCX-NRFANRHFSA-N 2 3 358.574 2.786 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678775353 1017589051 /nfs/dbraw/zinc/58/90/51/1017589051.db2.gz ORFGMAXCIHOBAJ-NHCUHLMSSA-N 2 3 357.542 2.920 20 0 FFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678775353 1017589060 /nfs/dbraw/zinc/58/90/60/1017589060.db2.gz ORFGMAXCIHOBAJ-NHCUHLMSSA-N 2 3 357.542 2.920 20 0 FFADHP [NH3+]CCC[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623815 1017803055 /nfs/dbraw/zinc/80/30/55/1017803055.db2.gz SVRJYSFBQKRKNX-VXKWHMMOSA-N 2 3 353.510 2.693 20 0 FFADHP [NH3+]CCC[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000925623815 1017803071 /nfs/dbraw/zinc/80/30/71/1017803071.db2.gz SVRJYSFBQKRKNX-VXKWHMMOSA-N 2 3 353.510 2.693 20 0 FFADHP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)CCN1Cc1ccccc1 ZINC000925845917 1017869680 /nfs/dbraw/zinc/86/96/80/1017869680.db2.gz PVALZJMVJGZIBW-IRLDBZIGSA-N 2 3 358.574 2.705 20 0 FFADHP C[NH+](C)C1CCN(CCN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902334023 1020107587 /nfs/dbraw/zinc/10/75/87/1020107587.db2.gz BEHDKZRPRCGOIK-FQEVSTJZSA-N 2 3 368.516 2.751 20 0 FFADHP [NH3+]C12CC(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CCNCC4)(C1)C2 ZINC001222575257 1033055912 /nfs/dbraw/zinc/05/59/12/1033055912.db2.gz MCRGANPGAIUIDZ-QNGMFEMESA-N 2 3 355.526 2.671 20 0 FFADHP [NH3+]C12CC(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CCNCC4)(C1)C2 ZINC001222575257 1033055921 /nfs/dbraw/zinc/05/59/21/1033055921.db2.gz MCRGANPGAIUIDZ-QNGMFEMESA-N 2 3 355.526 2.671 20 0 FFADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001160626905 1027777233 /nfs/dbraw/zinc/77/72/33/1027777233.db2.gz CLGYECNAGIAZLK-RTWAWAEBSA-N 2 3 374.573 2.602 20 0 FFADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001235634235 1037654917 /nfs/dbraw/zinc/65/49/17/1037654917.db2.gz CFJIOAXHRVYRLY-LEWJYISDSA-N 2 3 361.574 2.589 20 0 FFADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001235634235 1037654919 /nfs/dbraw/zinc/65/49/19/1037654919.db2.gz CFJIOAXHRVYRLY-LEWJYISDSA-N 2 3 361.574 2.589 20 0 FFADHP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235974631 1037873608 /nfs/dbraw/zinc/87/36/08/1037873608.db2.gz VKEUTHNRPQIPOK-RBBKRZOGSA-N 2 3 356.558 2.935 20 0 FFADHP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235974631 1037873624 /nfs/dbraw/zinc/87/36/24/1037873624.db2.gz VKEUTHNRPQIPOK-RBBKRZOGSA-N 2 3 356.558 2.935 20 0 FFADHP c1cncc(CN2CCC(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256853322 1038635297 /nfs/dbraw/zinc/63/52/97/1038635297.db2.gz XGUZZFNSFFPWHD-UHFFFAOYSA-N 2 3 365.525 2.947 20 0 FFADHP Clc1ccccc1CN1CCC(C[NH2+][C@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246370106 1039326331 /nfs/dbraw/zinc/32/63/31/1039326331.db2.gz XFUWZGLDRFGCMU-QGZVFWFLSA-N 2 3 365.974 2.989 20 0 FFADHP COc1ccc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246373996 1039328958 /nfs/dbraw/zinc/32/89/58/1039328958.db2.gz DRAVSEYTNBGTHZ-FPOVZHCZSA-N 2 3 357.542 2.872 20 0 FFADHP C[C@@H]1CCCCN1CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049992 1040551077 /nfs/dbraw/zinc/55/10/77/1040551077.db2.gz YPAUKQDRDNLTKB-HXUWFJFHSA-N 2 3 359.558 2.868 20 0 FFADHP [NH3+]C1CCN(Cc2ccccc2-c2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC001241981580 1044650215 /nfs/dbraw/zinc/65/02/15/1044650215.db2.gz XDPGXHJJUKRSOJ-UHFFFAOYSA-N 2 3 364.537 2.682 20 0 FFADHP CN(c1ccccc1CN1C[C@@H]2CCC[C@@]2(C[NH3+])C1)C1CC[NH+](C)CC1 ZINC001549088467 1073639187 /nfs/dbraw/zinc/63/91/87/1073639187.db2.gz ZBGFHQBTYCHSLW-SIKLNZKXSA-N 2 3 356.558 2.778 20 0 FFADHP C[C@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000268852150 510100266 /nfs/dbraw/zinc/10/02/66/510100266.db2.gz HKYIGGFTVXFGPP-NZQKXSOJSA-N 2 3 372.601 2.903 20 0 FFADHP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000542820300 517764761 /nfs/dbraw/zinc/76/47/61/517764761.db2.gz YPYJXHYWISSWDQ-UNMCSNQZSA-N 2 3 358.574 2.514 20 0 FFADHP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655703815 961116678 /nfs/dbraw/zinc/11/66/78/961116678.db2.gz VYOVATYSEDBHPL-RBBKRZOGSA-N 2 3 357.542 2.742 20 0 FFADHP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655703815 961116697 /nfs/dbraw/zinc/11/66/97/961116697.db2.gz VYOVATYSEDBHPL-RBBKRZOGSA-N 2 3 357.542 2.742 20 0 FFADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941173 1033898644 /nfs/dbraw/zinc/89/86/44/1033898644.db2.gz PTAIUTOYSLNVJM-RTWAWAEBSA-N 2 3 374.573 2.510 20 0 FFADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941173 1033898653 /nfs/dbraw/zinc/89/86/53/1033898653.db2.gz PTAIUTOYSLNVJM-RTWAWAEBSA-N 2 3 374.573 2.510 20 0 FFADHP CCOC(=O)[C@@]12C[N@@H+](C3CCC([NH+](CC)CC)CC3)C[C@@H]1CNCCC2 ZINC001246599930 1039410753 /nfs/dbraw/zinc/41/07/53/1039410753.db2.gz CFOFSQDWHPPLFI-OXKPJDFFSA-N 2 3 365.562 2.504 20 0 FFADHP CCOC(=O)[C@@]12C[N@H+](C3CCC([NH+](CC)CC)CC3)C[C@@H]1CNCCC2 ZINC001246599930 1039410755 /nfs/dbraw/zinc/41/07/55/1039410755.db2.gz CFOFSQDWHPPLFI-OXKPJDFFSA-N 2 3 365.562 2.504 20 0 FFADHP [NH3+]CCCCN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255137580 1041168073 /nfs/dbraw/zinc/16/80/73/1041168073.db2.gz YVFLORUYCAQXJQ-ZBYYUNFXSA-N 2 3 356.558 2.539 20 0 FFADHP [NH3+]CCCCN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255137580 1041168083 /nfs/dbraw/zinc/16/80/83/1041168083.db2.gz YVFLORUYCAQXJQ-ZBYYUNFXSA-N 2 3 356.558 2.539 20 0 FFADHP C[NH+]1CCC(C)(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)CC1 ZINC001279476806 1043161595 /nfs/dbraw/zinc/16/15/95/1043161595.db2.gz DDWVUXBUYAHWEB-UHFFFAOYSA-N 2 3 359.562 2.820 20 0 FFADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792141 513933428 /nfs/dbraw/zinc/93/34/28/513933428.db2.gz QRDKQSJQZRMXOU-VQTJNVASSA-N 2 3 350.595 2.837 20 0 FFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513345327 516577999 /nfs/dbraw/zinc/57/79/99/516577999.db2.gz JGNSPZVIUIVIIF-QUCCMNQESA-N 2 3 351.579 2.854 20 0 FFADHP c1c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc2c1C[NH2+]CC2 ZINC000904471306 736253912 /nfs/dbraw/zinc/25/39/12/736253912.db2.gz HATIFJWDBRWSIZ-PXNSSMCTSA-N 2 3 355.507 2.739 20 0 FFADHP [NH3+]C1CCN(Cc2ccccc2-c2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001205929136 1032068572 /nfs/dbraw/zinc/06/85/72/1032068572.db2.gz BJZWKOMCSFPXLN-UHFFFAOYSA-N 2 3 350.510 2.686 20 0 FFADHP C[NH+](C)CCOc1ccccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649414772 1013409325 /nfs/dbraw/zinc/40/93/25/1013409325.db2.gz WTSOOXGKAUFFQV-UHFFFAOYSA-N 2 3 374.573 2.529 20 0 FFADHP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001167840744 976484180 /nfs/dbraw/zinc/48/41/80/976484180.db2.gz IFFUAFJSNGCKMS-RBUKOAKNSA-N 2 3 367.578 2.846 20 0 FFADHP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001167840744 976484187 /nfs/dbraw/zinc/48/41/87/976484187.db2.gz IFFUAFJSNGCKMS-RBUKOAKNSA-N 2 3 367.578 2.846 20 0 FFADHP C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C[NH+](C)C)c1 ZINC000925656346 1017811533 /nfs/dbraw/zinc/81/15/33/1017811533.db2.gz YYIUUURXJFKPKW-KRWDZBQOSA-N 2 3 356.514 2.934 20 0 FFADHP C[NH+]1CCC(O)(C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1 ZINC000638681631 1025931881 /nfs/dbraw/zinc/93/18/81/1025931881.db2.gz LEIDAAQOPBIFGJ-QFIPXVFZSA-N 2 3 373.585 2.971 20 0 FFADHP CN(C)Cc1cc(F)cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001232145565 1038195944 /nfs/dbraw/zinc/19/59/44/1038195944.db2.gz BQIGAPJGQLTLTK-UHFFFAOYSA-N 2 3 352.542 2.593 20 0 FFADHP c1ccc(C[NH+]2CCC(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)nc1 ZINC001256680987 1038600708 /nfs/dbraw/zinc/60/07/08/1038600708.db2.gz HSHUZEMLNCPENG-UHFFFAOYSA-N 2 3 372.557 2.527 20 0 FFADHP c1ccc([C@H]2C[C@H](NCc3cccc(N4CC[NH2+]CC4)c3)CC[NH2+]2)cc1 ZINC001246345915 1039320425 /nfs/dbraw/zinc/32/04/25/1039320425.db2.gz LGCHNDSIBXZORW-IFMALSPDSA-N 2 3 350.510 2.679 20 0 FFADHP CCN1CCCC[C@H]1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849101798 1056760403 /nfs/dbraw/zinc/76/04/03/1056760403.db2.gz NSSNFBIKRQVEQC-FQEVSTJZSA-N 2 3 357.546 2.639 20 0 FFADHP CC[NH+]1CCC(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849100921 1056760897 /nfs/dbraw/zinc/76/08/97/1056760897.db2.gz NYCSKAILBROIHB-UHFFFAOYSA-N 2 3 371.573 2.887 20 0 FFADHP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]3CN)cc2)C[C@H]1C ZINC000423019873 514009729 /nfs/dbraw/zinc/00/97/29/514009729.db2.gz XPZLCTGKCGUYII-RMEPHLEKSA-N 2 3 359.558 2.913 20 0 FFADHP C[C@@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000415048947 514416496 /nfs/dbraw/zinc/41/64/96/514416496.db2.gz GTNNBJHHDBNKGF-JYUKWDKTSA-N 2 3 370.585 2.846 20 0 FFADHP CN1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC000569108274 519382279 /nfs/dbraw/zinc/38/22/79/519382279.db2.gz NCWQVBMMLRRMAT-YADHBBJMSA-N 2 3 358.574 2.685 20 0 FFADHP