smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102393365 219199874 /nfs/dbraw/zinc/19/98/74/219199874.db2.gz VBIGHTCLRHISHE-HTBDUDNFSA-N 2 0 330.476 1.653 50 0 EDAARP C[N@H+](Cc1ccccc1OCCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000215254948 241114914 /nfs/dbraw/zinc/11/49/14/241114914.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 2 0 347.503 1.924 50 0 EDAARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](CCCc1ccco1)C2 ZINC000219226449 241369022 /nfs/dbraw/zinc/36/90/22/241369022.db2.gz BQFUAVTXXYMSDY-GOSISDBHSA-N 2 0 332.448 1.910 50 0 EDAARP Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244787923 243080722 /nfs/dbraw/zinc/08/07/22/243080722.db2.gz QGIWFNXMRPWECY-CALCHBBNSA-N 2 0 340.475 1.338 50 0 EDAARP COc1cccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000069418335 202998005 /nfs/dbraw/zinc/99/80/05/202998005.db2.gz DNBCUAXSQFPCJX-UHFFFAOYSA-N 2 0 344.459 1.879 50 0 EDAARP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000069668398 203035504 /nfs/dbraw/zinc/03/55/04/203035504.db2.gz OXEKQOJMDFZNEQ-NUJGCVRESA-N 2 0 339.524 1.563 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)nn1C)CC[NH+](C)CC2 ZINC000072473278 203230839 /nfs/dbraw/zinc/23/08/39/203230839.db2.gz IAZKDXZIIOUCKL-QGZVFWFLSA-N 2 0 347.507 1.541 50 0 EDAARP O=C([C@@H]1[NH2+]Cc2ccccc21)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072476765 203231708 /nfs/dbraw/zinc/23/17/08/203231708.db2.gz FCFMWKZMBVUZFP-GOSISDBHSA-N 2 0 329.444 1.279 50 0 EDAARP Cc1cc(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000075128539 203304932 /nfs/dbraw/zinc/30/49/32/203304932.db2.gz XFGUHVIWXZXSOU-ZBFHGGJFSA-N 2 0 327.432 1.611 50 0 EDAARP Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCCCC3)C2)[nH]n1 ZINC000067896059 441694249 /nfs/dbraw/zinc/69/42/49/441694249.db2.gz MMAYFSBPQVUFBW-MRXNPFEDSA-N 2 0 333.480 1.532 50 0 EDAARP O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]C1CC[NH2+]CC1 ZINC000067956037 441700325 /nfs/dbraw/zinc/70/03/25/441700325.db2.gz HIWDXUZNLIOVEB-FQEVSTJZSA-N 2 0 345.487 1.314 50 0 EDAARP C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000067739427 441675031 /nfs/dbraw/zinc/67/50/31/441675031.db2.gz XQOLEWDZCXHUPQ-INIZCTEOSA-N 2 0 331.464 1.095 50 0 EDAARP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069030378 441880604 /nfs/dbraw/zinc/88/06/04/441880604.db2.gz LEAWHFVPHUULNG-MRXNPFEDSA-N 2 0 337.508 1.868 50 0 EDAARP O[C@@H]1C[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N(Cc2ccccc2)C1 ZINC000195565192 443033142 /nfs/dbraw/zinc/03/31/42/443033142.db2.gz DQBQLMYMPUFTRU-RBUKOAKNSA-N 2 0 346.471 1.897 50 0 EDAARP CN(CC[N@H+](C)C1CC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000343072182 445042640 /nfs/dbraw/zinc/04/26/40/445042640.db2.gz DDJGBGFINWQOOJ-MRXNPFEDSA-N 2 0 325.522 1.757 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCC(C)CC2)CC1 ZINC000069818264 203053888 /nfs/dbraw/zinc/05/38/88/203053888.db2.gz ZLBYHVAOFWVZCA-UPTPFMHGSA-N 2 0 339.524 1.706 50 0 EDAARP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000071909040 203146054 /nfs/dbraw/zinc/14/60/54/203146054.db2.gz COZDHFKPKHNAFI-SFHVURJKSA-N 2 0 330.476 1.727 50 0 EDAARP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077300395 203378143 /nfs/dbraw/zinc/37/81/43/203378143.db2.gz CWVSITWUKGOYHQ-SFHVURJKSA-N 2 0 331.460 1.739 50 0 EDAARP O=C1[C@H]2CC[C@H](C[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)N1Cc1ccccc1 ZINC000102000968 204028526 /nfs/dbraw/zinc/02/85/26/204028526.db2.gz BHPVLBAHIPWZAD-ZWJWXYIHSA-N 2 0 325.456 1.575 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871537 287002033 /nfs/dbraw/zinc/00/20/33/287002033.db2.gz HRFFHMMXXXXMIF-SJLPKXTDSA-N 2 0 339.524 1.802 50 0 EDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCOc2ccc(Cl)cc2C1 ZINC000072147950 275007751 /nfs/dbraw/zinc/00/77/51/275007751.db2.gz PJVMWCKVNMCJEE-OAHLLOKOSA-N 2 0 349.862 1.793 50 0 EDAARP C[NH+]1CCC(C[NH+]2CCN(C(=O)CCCc3cn[nH]c3)CC2)CC1 ZINC000097729646 276885520 /nfs/dbraw/zinc/88/55/20/276885520.db2.gz UWRXAWLBCHANQC-UHFFFAOYSA-N 2 0 333.480 1.218 50 0 EDAARP OCC1(C[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCOCC1 ZINC000072143289 304822487 /nfs/dbraw/zinc/82/24/87/304822487.db2.gz VUFVNEFTZWMRSP-MSOLQXFVSA-N 2 0 346.471 1.102 50 0 EDAARP C[NH+]1CCC(O)(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000097602480 441141828 /nfs/dbraw/zinc/14/18/28/441141828.db2.gz DGHNMHVJLFMJCY-GOSISDBHSA-N 2 0 345.487 1.472 50 0 EDAARP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(=O)OC)C2)CC1 ZINC000088735331 441517694 /nfs/dbraw/zinc/51/76/94/441517694.db2.gz JXYCRSDKLRVIQT-QGZVFWFLSA-N 2 0 346.475 1.759 50 0 EDAARP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)nc(N)[nH+]1 ZINC000095513119 441943999 /nfs/dbraw/zinc/94/39/99/441943999.db2.gz GIBQJDNAQMVGMH-OAHLLOKOSA-N 2 0 346.479 1.136 50 0 EDAARP O=S(=O)(Cc1ccccc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178955759 442537695 /nfs/dbraw/zinc/53/76/95/442537695.db2.gz WZKTXONCDGJMNK-UHFFFAOYSA-N 2 0 337.489 1.134 50 0 EDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237606720 443176414 /nfs/dbraw/zinc/17/64/14/443176414.db2.gz GZNRZZPAODTPBA-CALCHBBNSA-N 2 0 336.524 1.393 50 0 EDAARP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)CCO1 ZINC000299739611 444129115 /nfs/dbraw/zinc/12/91/15/444129115.db2.gz QPOAISAYYWVOHQ-DNVCBOLYSA-N 2 0 343.471 1.413 50 0 EDAARP Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)[C@H](O)C2)cc1OCCC[NH3+] ZINC000426517554 447462672 /nfs/dbraw/zinc/46/26/72/447462672.db2.gz ICGIGCBOTYWSEW-DLBZAZTESA-N 2 0 349.475 1.107 50 0 EDAARP COCC[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](C3CCCCC3)CC2)C1 ZINC000584892621 448666962 /nfs/dbraw/zinc/66/69/62/448666962.db2.gz KOZMWRUOEXETKD-QGZVFWFLSA-N 2 0 337.508 1.822 50 0 EDAARP Cc1cc(N2CCN(C(=O)CSCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000244659832 243054876 /nfs/dbraw/zinc/05/48/76/243054876.db2.gz HJSUOKNVVDTVEZ-UHFFFAOYSA-N 2 0 348.516 1.868 50 0 EDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCCNc1cccnc1)CC[NH2+]CC2 ZINC000072476730 203231555 /nfs/dbraw/zinc/23/15/55/203231555.db2.gz RVQPKPIWARRZMA-INIZCTEOSA-N 2 0 331.464 1.074 50 0 EDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237607219 257944798 /nfs/dbraw/zinc/94/47/98/257944798.db2.gz SJMQQYHYWMRLKN-SCTDSRPQSA-N 2 0 336.524 1.393 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)NC3CC[NH+](C)CC3)cnn2c1 ZINC000067947576 441699880 /nfs/dbraw/zinc/69/98/80/441699880.db2.gz OGNGIENJTYQQFW-UHFFFAOYSA-N 2 0 344.463 1.395 50 0 EDAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000095369176 441913800 /nfs/dbraw/zinc/91/38/00/441913800.db2.gz WIQSLRXXQMINST-DLBZAZTESA-N 2 0 347.507 1.668 50 0 EDAARP CN1CC[N@H+](C[C@@H]2CCOc3ccccc3C2)CC12CC[NH2+]CC2 ZINC000095496843 441937814 /nfs/dbraw/zinc/93/78/14/441937814.db2.gz QJJRBRHXMWAYDO-QGZVFWFLSA-N 2 0 329.488 1.997 50 0 EDAARP C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000237667322 443178417 /nfs/dbraw/zinc/17/84/17/443178417.db2.gz BMIZEZBNEAOXAV-AEFFLSMTSA-N 2 0 331.460 1.345 50 0 EDAARP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)CCO1 ZINC000237773137 443182507 /nfs/dbraw/zinc/18/25/07/443182507.db2.gz QPOAISAYYWVOHQ-KXBFYZLASA-N 2 0 343.471 1.413 50 0 EDAARP Cc1cccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000092022377 281217035 /nfs/dbraw/zinc/21/70/35/281217035.db2.gz YZTYDSDGXICFJM-IBGZPJMESA-N 2 0 333.476 1.685 50 0 EDAARP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1CCCCC1 ZINC000097163903 289133713 /nfs/dbraw/zinc/13/37/13/289133713.db2.gz VNVVYSMTMNNEOD-UHFFFAOYSA-N 2 0 345.553 1.854 50 0 EDAARP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000065554000 289136357 /nfs/dbraw/zinc/13/63/57/289136357.db2.gz ZSCOXOOTDKRMTB-UHFFFAOYSA-N 2 0 335.420 1.079 50 0 EDAARP C[NH+]1CCC(NC(=O)[C@@]2(CCO)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000257191095 443121603 /nfs/dbraw/zinc/12/16/03/443121603.db2.gz OXIZUNGBOBKLQN-HXUWFJFHSA-N 2 0 345.487 1.472 50 0 EDAARP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC000241124169 443205894 /nfs/dbraw/zinc/20/58/94/443205894.db2.gz JGBHFENSRDLTIY-AWEZNQCLSA-N 2 0 337.430 1.649 50 0 EDAARP Cc1cc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000242191404 443210331 /nfs/dbraw/zinc/21/03/31/443210331.db2.gz XFGUHVIWXZXSOU-GDBMZVCRSA-N 2 0 327.432 1.611 50 0 EDAARP OC[C@@]1(O)CC[N@H+](Cc2ccccc2OCCC[NH+]2CCCCC2)C1 ZINC000216116530 241168577 /nfs/dbraw/zinc/16/85/77/241168577.db2.gz OACQVYABYRTVLV-HXUWFJFHSA-N 2 0 348.487 1.871 50 0 EDAARP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597798 203025349 /nfs/dbraw/zinc/02/53/49/203025349.db2.gz MNVKOJLLLQDGDW-HNAYVOBHSA-N 2 0 345.487 1.689 50 0 EDAARP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000069739230 203043613 /nfs/dbraw/zinc/04/36/13/203043613.db2.gz HZTMICLIZCJDJM-QZTJIDSGSA-N 2 0 327.513 1.122 50 0 EDAARP O=C(NC1CC1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000071870948 203132966 /nfs/dbraw/zinc/13/29/66/203132966.db2.gz ZDTMPLCTTYWVPE-GOSISDBHSA-N 2 0 349.450 1.439 50 0 EDAARP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072146215 203169266 /nfs/dbraw/zinc/16/92/66/203169266.db2.gz XMMZQBZZIHTKLD-GOSISDBHSA-N 2 0 343.471 1.067 50 0 EDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCCO)Cc1cccs1 ZINC000072157842 203176698 /nfs/dbraw/zinc/17/66/98/203176698.db2.gz XTVPFXCBVMQGIA-HNNXBMFYSA-N 2 0 337.489 1.191 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1nc(CC)no1)CC[NH+](C)CC2 ZINC000072463594 203229430 /nfs/dbraw/zinc/22/94/30/203229430.db2.gz XQKLDYWBJANZOL-AWEZNQCLSA-N 2 0 349.479 1.445 50 0 EDAARP CN(Cc1cccc(C[NH+](C)C)c1)c1ncnc2c1CC[NH2+]CC2 ZINC000072474855 203230749 /nfs/dbraw/zinc/23/07/49/203230749.db2.gz VQECUDFQJCEAIN-UHFFFAOYSA-N 2 0 325.460 1.863 50 0 EDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH2+]CC2 ZINC000072410349 203217346 /nfs/dbraw/zinc/21/73/46/203217346.db2.gz UENJZTZEAXBZGD-GOSISDBHSA-N 2 0 343.471 1.957 50 0 EDAARP C[N@@H+]1CC[C@@H](CNc2ncnc3c2CC[NH+](C2CCOCC2)CC3)C1 ZINC000072411519 203218092 /nfs/dbraw/zinc/21/80/92/203218092.db2.gz KKKFRPXWUKZAMJ-HNNXBMFYSA-N 2 0 345.491 1.420 50 0 EDAARP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000102829922 204052174 /nfs/dbraw/zinc/05/21/74/204052174.db2.gz VWHOGUFEZBVXQW-BWTSREIZSA-N 2 0 327.472 1.619 50 0 EDAARP CNc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc(C)[nH+]1 ZINC000106943367 204221674 /nfs/dbraw/zinc/22/16/74/204221674.db2.gz IMBYBJFXQSSNMF-KRWDZBQOSA-N 2 0 341.459 1.900 50 0 EDAARP O[C@]1(C[NH+]2CCCCC2)C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019773887 441259798 /nfs/dbraw/zinc/25/97/98/441259798.db2.gz OROFAEMCCWOHFU-XVAXZDLZSA-N 2 0 341.499 1.402 50 0 EDAARP CCn1c(CN2CCCC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000082137559 441336578 /nfs/dbraw/zinc/33/65/78/441336578.db2.gz TUJUHYHNYMNNQR-UHFFFAOYSA-N 2 0 346.523 1.825 50 0 EDAARP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)c1ccco1 ZINC000225705291 443119048 /nfs/dbraw/zinc/11/90/48/443119048.db2.gz FNOIPSXBHBYQFU-WBVHZDCISA-N 2 0 337.464 1.888 50 0 EDAARP C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000426628226 447482898 /nfs/dbraw/zinc/48/28/98/447482898.db2.gz KSLBKOVBOICRMI-MRXNPFEDSA-N 2 0 342.487 1.433 50 0 EDAARP COCC[N@@H+]1CC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670436124 486512803 /nfs/dbraw/zinc/51/28/03/486512803.db2.gz RDXOEWMVZBUDKS-QGZVFWFLSA-N 2 0 337.508 1.870 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000069582596 203022972 /nfs/dbraw/zinc/02/29/72/203022972.db2.gz UWGWRHIFLQLROU-SJKOYZFVSA-N 2 0 328.403 1.681 50 0 EDAARP CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000069840369 203055262 /nfs/dbraw/zinc/05/52/62/203055262.db2.gz QNAZBEDFEPKPJI-QGZVFWFLSA-N 2 0 339.524 1.804 50 0 EDAARP O=C1CCCN1CC[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000071871496 203133194 /nfs/dbraw/zinc/13/31/94/203133194.db2.gz YUYMTJPQWJANFR-LJQANCHMSA-N 2 0 345.487 1.644 50 0 EDAARP O[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ncc3ccc(F)cc3n2)CC1 ZINC000426370514 447427087 /nfs/dbraw/zinc/42/70/87/447427087.db2.gz QEHYFOPKWKJHRZ-NVXWUHKLSA-N 2 0 345.422 1.050 50 0 EDAARP Cc1cc(C)n2cc(C[N@H+](C)CC3CC[NH+](CCO)CC3)nc2n1 ZINC000075603057 441538029 /nfs/dbraw/zinc/53/80/29/441538029.db2.gz LJYJVSAXCWOVGC-UHFFFAOYSA-N 2 0 331.464 1.482 50 0 EDAARP CN(C)C(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069510443 441959066 /nfs/dbraw/zinc/95/90/66/441959066.db2.gz ZLRQBMGUWXDZED-LJQANCHMSA-N 2 0 347.503 1.842 50 0 EDAARP Cc1c[nH+]ccc1N1CC[NH+](CC(C)(C)CN2CCOCC2)CC1 ZINC000097156025 442176448 /nfs/dbraw/zinc/17/64/48/442176448.db2.gz YUQVKRPUPLMJGH-UHFFFAOYSA-N 2 0 332.492 1.870 50 0 EDAARP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000097162653 442177799 /nfs/dbraw/zinc/17/77/99/442177799.db2.gz YGBDNNJJTIMCSZ-LJQANCHMSA-N 2 0 343.450 1.881 50 0 EDAARP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccn1 ZINC000097080790 442163133 /nfs/dbraw/zinc/16/31/33/442163133.db2.gz RALCXPZSEAUFMJ-SJORKVTESA-N 2 0 346.475 1.578 50 0 EDAARP C[C@]1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC[NH2+]1 ZINC000181011244 442674417 /nfs/dbraw/zinc/67/44/17/442674417.db2.gz AKEDYKZDOOPUOK-GOSISDBHSA-N 2 0 337.508 1.918 50 0 EDAARP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237616803 443177234 /nfs/dbraw/zinc/17/72/34/443177234.db2.gz BHHPAWUVLGQHMC-SOLBZPMBSA-N 2 0 337.508 1.866 50 0 EDAARP COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(OCC[NH3+])c1 ZINC000426641619 447484733 /nfs/dbraw/zinc/48/47/33/447484733.db2.gz XUBMWANOUXQZFC-HNNXBMFYSA-N 2 0 347.459 1.733 50 0 EDAARP Cc1ccccc1[C@@H](CNC(=O)CC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000534579737 448454685 /nfs/dbraw/zinc/45/46/85/448454685.db2.gz JYRYLLMQRPTPHP-GOSISDBHSA-N 2 0 332.492 1.351 50 0 EDAARP CCO[C@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1(C)C ZINC000261852656 535649703 /nfs/dbraw/zinc/64/97/03/535649703.db2.gz VMUXFASRMYRGPF-YLAKUSLOSA-N 2 0 345.487 1.720 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305822 711399835 /nfs/dbraw/zinc/39/98/35/711399835.db2.gz VVQZCNUHFCNALB-OAHLLOKOSA-N 2 0 333.480 1.611 50 0 EDAARP O[C@@H]1C[N@@H+](C2CCC2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000023372983 202103670 /nfs/dbraw/zinc/10/36/70/202103670.db2.gz FVNAZHSZNWPIAZ-NHCUHLMSSA-N 2 0 343.515 1.834 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871539 203133015 /nfs/dbraw/zinc/13/30/15/203133015.db2.gz HRFFHMMXXXXMIF-FUHWJXTLSA-N 2 0 339.524 1.802 50 0 EDAARP O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072154605 203175284 /nfs/dbraw/zinc/17/52/84/203175284.db2.gz INESEAOLHLRGEL-INIZCTEOSA-N 2 0 340.427 1.690 50 0 EDAARP O=C(NC1CC[NH2+]CC1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000072161193 203176131 /nfs/dbraw/zinc/17/61/31/203176131.db2.gz OQNDVZBDTQNIMZ-UHFFFAOYSA-N 2 0 327.472 1.878 50 0 EDAARP O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165907 203179054 /nfs/dbraw/zinc/17/90/54/203179054.db2.gz RWTSMHUOBRDVCG-ZDUSSCGKSA-N 2 0 334.489 1.022 50 0 EDAARP Cc1cc(C)nc(CN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072463676 203229216 /nfs/dbraw/zinc/22/92/16/203229216.db2.gz WDDFMLNIXMYAQU-QGZVFWFLSA-N 2 0 330.476 1.731 50 0 EDAARP CC(C)Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)[nH]n1 ZINC000072420191 203219000 /nfs/dbraw/zinc/21/90/00/203219000.db2.gz GBVZKMFWCSACSS-MAUKXSAKSA-N 2 0 347.507 1.770 50 0 EDAARP c1cn(-c2cccc(C3=[NH+]CCN3)c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072425554 203221849 /nfs/dbraw/zinc/22/18/49/203221849.db2.gz CTWLIKWOMGJCOQ-UHFFFAOYSA-N 2 0 347.426 1.579 50 0 EDAARP C[C@H](C1CCN(c2ncnc3c2CC[NH2+]CC3)CC1)[NH+]1CCOCC1 ZINC000072424133 203221981 /nfs/dbraw/zinc/22/19/81/203221981.db2.gz GXCANYVFZQFSIF-OAHLLOKOSA-N 2 0 345.491 1.102 50 0 EDAARP CC[NH+]1CCCN(c2nc(N3CCC[N@@H+](CC)CC3)ncc2C)CC1 ZINC000085685783 279291822 /nfs/dbraw/zinc/29/18/22/279291822.db2.gz FWWGXIAORZZLKO-UHFFFAOYSA-N 2 0 346.523 1.849 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2nccs2)CC1 ZINC000106781268 441369861 /nfs/dbraw/zinc/36/98/61/441369861.db2.gz UQRJBIDZBLAEKG-CHWSQXEVSA-N 2 0 340.493 1.495 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]C4)cnn2c1 ZINC000067822005 441683125 /nfs/dbraw/zinc/68/31/25/441683125.db2.gz VDTOPUSEANYYDE-GASCZTMLSA-N 2 0 342.447 1.148 50 0 EDAARP Nc1nc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c2c([nH+]1)CCC2 ZINC000091769466 441739291 /nfs/dbraw/zinc/73/92/91/441739291.db2.gz VCFKTTFORFJJHN-HUUCEWRRSA-N 2 0 345.491 1.468 50 0 EDAARP CC(=O)NCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069510221 441956974 /nfs/dbraw/zinc/95/69/74/441956974.db2.gz CCYWOCBUOKWMMR-LJQANCHMSA-N 2 0 333.476 1.500 50 0 EDAARP CN(CC1CC[NH+](C)CC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000078966086 441999974 /nfs/dbraw/zinc/99/99/74/441999974.db2.gz HMEKKDATKLJABG-UHFFFAOYSA-N 2 0 337.508 1.822 50 0 EDAARP CCOCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246310565 442771005 /nfs/dbraw/zinc/77/10/05/442771005.db2.gz AKKNGPIBEYLNCI-MSOLQXFVSA-N 2 0 327.513 1.122 50 0 EDAARP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000195549001 443031702 /nfs/dbraw/zinc/03/17/02/443031702.db2.gz YTAFLBJJILSQGS-JSGCOSHPSA-N 2 0 345.534 1.655 50 0 EDAARP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000225653473 443117712 /nfs/dbraw/zinc/11/77/12/443117712.db2.gz SDSISISPVHGUHM-INIZCTEOSA-N 2 0 339.528 1.044 50 0 EDAARP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000888099427 591029793 /nfs/dbraw/zinc/02/97/93/591029793.db2.gz JUGWHMFJHGBDTJ-KRWDZBQOSA-N 2 0 348.491 1.378 50 0 EDAARP [NH3+][C@H]1C[C@H](c2nnc(CN3CC[NH+](C4CCCC4)CC3)n2C2CC2)C1 ZINC000244873120 243091081 /nfs/dbraw/zinc/09/10/81/243091081.db2.gz WKLDABRLVKRTRT-SHTZXODSSA-N 2 0 344.507 1.878 50 0 EDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(N(C)C)c1 ZINC000069531021 203014278 /nfs/dbraw/zinc/01/42/78/203014278.db2.gz JOXOHJIVOUCTIK-KRWDZBQOSA-N 2 0 347.507 1.636 50 0 EDAARP CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000069840372 203054819 /nfs/dbraw/zinc/05/48/19/203054819.db2.gz QNAZBEDFEPKPJI-KRWDZBQOSA-N 2 0 339.524 1.804 50 0 EDAARP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951317 203065035 /nfs/dbraw/zinc/06/50/35/203065035.db2.gz KWZPXNSJHBBATG-DOTOQJQBSA-N 2 0 325.497 1.317 50 0 EDAARP CCn1cc(CN(C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)C(C)C)cn1 ZINC000072166568 203179094 /nfs/dbraw/zinc/17/90/94/203179094.db2.gz YEPFYJQEGRMBNI-INIZCTEOSA-N 2 0 333.480 1.372 50 0 EDAARP COc1ccc(OCCC[NH3+])c(C(=O)N2CC[N@H+](C(C)C)[C@@H](C)C2)c1 ZINC000299784622 258091585 /nfs/dbraw/zinc/09/15/85/258091585.db2.gz HIAYJPCFHWYLTO-HNNXBMFYSA-N 2 0 349.475 1.978 50 0 EDAARP C[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000072280934 441219120 /nfs/dbraw/zinc/21/91/20/441219120.db2.gz RNRPBWFANNYQSM-INIZCTEOSA-N 2 0 340.512 1.613 50 0 EDAARP Cc1cccc(N2CC[NH+](CCC(=O)N3CCCC[C@@H]([NH3+])C3)CC2)c1 ZINC000082120837 441335496 /nfs/dbraw/zinc/33/54/96/441335496.db2.gz MHRXMVUHUAHCTL-GOSISDBHSA-N 2 0 344.503 1.847 50 0 EDAARP [NH3+]CCOc1cccc(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000426432087 447443237 /nfs/dbraw/zinc/44/32/37/447443237.db2.gz WQPKFKISYCVRHG-QGZVFWFLSA-N 2 0 331.460 1.653 50 0 EDAARP C[NH+](C)C[C@]1(O)CCCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095368316 441914134 /nfs/dbraw/zinc/91/41/34/441914134.db2.gz SZNDGKVKIZKAFR-LJQANCHMSA-N 2 0 349.475 1.407 50 0 EDAARP C[N@@H+]1CCCC[C@@H]1CCn1ncc(N2CCC(C[NH3+])CC2)cc1=O ZINC000095367569 441914321 /nfs/dbraw/zinc/91/43/21/441914321.db2.gz LSEDSCWFHGNKJM-MRXNPFEDSA-N 2 0 333.480 1.293 50 0 EDAARP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C(C)C)C3)CC2)nc(N)[nH+]1 ZINC000095513120 441944170 /nfs/dbraw/zinc/94/41/70/441944170.db2.gz GIBQJDNAQMVGMH-HNNXBMFYSA-N 2 0 346.479 1.136 50 0 EDAARP CN1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000222035003 443075182 /nfs/dbraw/zinc/07/51/82/443075182.db2.gz WRHHQTQURPMDSV-PMPSAXMXSA-N 2 0 339.386 1.157 50 0 EDAARP C[N@@H+]1CCN(c2nc(N)nc3c2CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000244873455 443216157 /nfs/dbraw/zinc/21/61/57/443216157.db2.gz WQROPPHZBMEZPV-KRWDZBQOSA-N 2 0 338.459 1.240 50 0 EDAARP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1CC[NH+](C)CC1 ZINC000216448693 241192603 /nfs/dbraw/zinc/19/26/03/241192603.db2.gz ZUGSXIGTSRPGOR-OYRHEFFESA-N 3 0 342.531 1.702 50 0 EDAARP Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000244700876 243059849 /nfs/dbraw/zinc/05/98/49/243059849.db2.gz JVNLIKVXOKPUED-MRXNPFEDSA-N 2 0 334.439 1.442 50 0 EDAARP COc1cccc(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)c1 ZINC000019868378 212077978 /nfs/dbraw/zinc/07/79/78/212077978.db2.gz OBKRNTJDBNMHTN-UHFFFAOYSA-N 2 0 333.476 1.270 50 0 EDAARP CC(C)CC[NH+]1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000091657031 218041873 /nfs/dbraw/zinc/04/18/73/218041873.db2.gz ONAPTWDDLXNCPH-UHFFFAOYSA-N 2 0 348.539 1.788 50 0 EDAARP COc1cccc(C(=O)N2CC([NH+]3CCCCC3)C2)c1OCCC[NH3+] ZINC000299791123 258096849 /nfs/dbraw/zinc/09/68/49/258096849.db2.gz CNVHYCJYDJMSHW-UHFFFAOYSA-N 2 0 347.459 1.733 50 0 EDAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000057843674 441137998 /nfs/dbraw/zinc/13/79/98/441137998.db2.gz PFNCVDILLIPLTG-UHFFFAOYSA-N 2 0 345.487 1.689 50 0 EDAARP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000058308406 441177194 /nfs/dbraw/zinc/17/71/94/441177194.db2.gz YSQQMEQWMJNPOG-MRXNPFEDSA-N 2 0 329.448 1.655 50 0 EDAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1)N1CCOCC1 ZINC000082097520 441331775 /nfs/dbraw/zinc/33/17/75/441331775.db2.gz SLTBXHPXKHPSJD-SFHVURJKSA-N 2 0 349.519 1.822 50 0 EDAARP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000089312247 441537325 /nfs/dbraw/zinc/53/73/25/441537325.db2.gz VLWZIGXISQTTJI-ZIAGYGMSSA-N 2 0 340.493 1.371 50 0 EDAARP CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](CC)CC3)C2)cc1 ZINC000091780738 441740518 /nfs/dbraw/zinc/74/05/18/441740518.db2.gz QSLMFINFCAMUAF-NHCUHLMSSA-N 2 0 345.531 1.927 50 0 EDAARP C[N@H+](CCO)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095523379 441948425 /nfs/dbraw/zinc/94/84/25/441948425.db2.gz QFIYHEIUJHOZRK-GOSISDBHSA-N 2 0 336.476 1.726 50 0 EDAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCNC(=O)OC(C)(C)C ZINC000069743573 442030073 /nfs/dbraw/zinc/03/00/73/442030073.db2.gz WBKVOHRXEFZXFO-UHFFFAOYSA-N 2 0 344.500 1.243 50 0 EDAARP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000253390346 443052285 /nfs/dbraw/zinc/05/22/85/443052285.db2.gz KQYOYFOYACFNHD-NEWSRXKRSA-N 2 0 345.487 1.470 50 0 EDAARP O=C(CCC[NH+]1CCCC1)N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000584885678 448664179 /nfs/dbraw/zinc/66/41/79/448664179.db2.gz FWHGVHXJHXKWQF-KRWDZBQOSA-N 2 0 337.508 1.558 50 0 EDAARP COCC[N@@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670471486 486564622 /nfs/dbraw/zinc/56/46/22/486564622.db2.gz YOQVCSDVJXPYAR-QGZVFWFLSA-N 2 0 337.508 1.870 50 0 EDAARP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000066960789 215099075 /nfs/dbraw/zinc/09/90/75/215099075.db2.gz ZPGHDONODGUWKR-CQSZACIVSA-N 2 0 338.496 1.807 50 0 EDAARP CNS(=O)(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000072144947 216030722 /nfs/dbraw/zinc/03/07/22/216030722.db2.gz GZKVKOYXJHDNKL-UHFFFAOYSA-N 2 0 337.489 1.560 50 0 EDAARP COc1ccccc1CN(C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)C1CC1 ZINC000072146290 216033452 /nfs/dbraw/zinc/03/34/52/216033452.db2.gz QFHFQHHGQVHQKG-KRWDZBQOSA-N 2 0 343.471 1.918 50 0 EDAARP Cc1cnn(CC2CCN(C(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)c1 ZINC000072164499 216053468 /nfs/dbraw/zinc/05/34/68/216053468.db2.gz XOZWCAVUXBNOQU-KRWDZBQOSA-N 2 0 345.491 1.162 50 0 EDAARP Cc1ccc(C[N@@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)cc1 ZINC000072407788 216198729 /nfs/dbraw/zinc/19/87/29/216198729.db2.gz ORGGSXJUUGUWBB-KRWDZBQOSA-N 2 0 341.459 1.749 50 0 EDAARP CCCc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(C)n1 ZINC000230164011 242242012 /nfs/dbraw/zinc/24/20/12/242242012.db2.gz QMQZTTHWTUVKPD-LJQANCHMSA-N 2 0 345.491 1.870 50 0 EDAARP O[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000097463608 219025860 /nfs/dbraw/zinc/02/58/60/219025860.db2.gz DQUSKEIUTQIBOI-IBGZPJMESA-N 3 0 344.503 1.877 50 0 EDAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000070006303 441102086 /nfs/dbraw/zinc/10/20/86/441102086.db2.gz YBHASZSJIGXHTD-QGZVFWFLSA-N 2 0 333.480 1.256 50 0 EDAARP Nc1nc2c(c(NC3CC=CC3)n1)CC[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000072424312 441231393 /nfs/dbraw/zinc/23/13/93/441231393.db2.gz VMSWCKYOMPUABU-UHFFFAOYSA-N 2 0 342.491 1.590 50 0 EDAARP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000069668406 442007064 /nfs/dbraw/zinc/00/70/64/442007064.db2.gz OXEKQOJMDFZNEQ-JFIYKMOQSA-N 2 0 339.524 1.563 50 0 EDAARP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000069897162 442068734 /nfs/dbraw/zinc/06/87/34/442068734.db2.gz DCTCNAJYDLOMPG-ZIAGYGMSSA-N 2 0 338.452 1.335 50 0 EDAARP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSC3)c2)C1 ZINC000096477354 442139309 /nfs/dbraw/zinc/13/93/09/442139309.db2.gz HLJKGWALGYUKPT-DLBZAZTESA-N 2 0 333.501 1.979 50 0 EDAARP Cc1n[nH]c(C)c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000097159553 442177047 /nfs/dbraw/zinc/17/70/47/442177047.db2.gz MFHMRSWQJWWUOD-UHFFFAOYSA-N 2 0 327.476 1.934 50 0 EDAARP C[C@H]1CN(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000192793156 442686912 /nfs/dbraw/zinc/68/69/12/442686912.db2.gz QUXQIVSKSOXEFV-SFHVURJKSA-N 2 0 339.524 1.532 50 0 EDAARP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccnc(C)c2)CC1=O ZINC000195530215 443029616 /nfs/dbraw/zinc/02/96/16/443029616.db2.gz DUPXHTQKKDPCOK-HOCLYGCPSA-N 2 0 330.432 1.661 50 0 EDAARP C[N@@H+]1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000225322194 443099691 /nfs/dbraw/zinc/09/96/91/443099691.db2.gz HTOYQGBMRWATFN-IBGZPJMESA-N 2 0 347.503 1.660 50 0 EDAARP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238011624 443192343 /nfs/dbraw/zinc/19/23/43/443192343.db2.gz KHQKJWXSUFNRHB-CVEARBPZSA-N 2 0 337.851 1.143 50 0 EDAARP Cc1c[nH+]ccc1NCCNC(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426628112 447482308 /nfs/dbraw/zinc/48/23/08/447482308.db2.gz CMLIBFBCMKKDDD-UHFFFAOYSA-N 2 0 332.379 1.130 50 0 EDAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Cn3cc(CCO)nn3)C2)CC1 ZINC000055384436 214315698 /nfs/dbraw/zinc/31/56/98/214315698.db2.gz PDNAYQGOEUHVAJ-INIZCTEOSA-N 2 0 335.496 1.399 50 0 EDAARP CN1CCC[N@H+](CCc2ccccn2)CCN(C)CCC[NH+](C)CC1 ZINC000068605087 215322160 /nfs/dbraw/zinc/32/21/60/215322160.db2.gz VRYDIPCPHODKET-UHFFFAOYSA-N 2 0 347.551 1.515 50 0 EDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCN(Cc2ccccc2)CC1 ZINC000072141725 216027845 /nfs/dbraw/zinc/02/78/45/216027845.db2.gz QYNXMSFEPTXNKW-GOSISDBHSA-N 2 0 342.487 1.063 50 0 EDAARP OC[C@H]1CCCC[N@@H+]1CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072407632 216198185 /nfs/dbraw/zinc/19/81/85/216198185.db2.gz IZLIYMOKGVANLZ-OAHLLOKOSA-N 2 0 344.463 1.087 50 0 EDAARP Cc1ccc([C@@H](CNc2nc(N)nc3c2CC[NH2+]CC3)[NH+](C)C)cc1 ZINC000072481194 216261558 /nfs/dbraw/zinc/26/15/58/216261558.db2.gz VWAWRDLCNKQIAI-QGZVFWFLSA-N 2 0 340.475 1.770 50 0 EDAARP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1 ZINC000091807059 218068756 /nfs/dbraw/zinc/06/87/56/218068756.db2.gz IOLDKGLMACAVEY-RTBURBONSA-N 2 0 347.503 1.373 50 0 EDAARP Cc1cccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n1 ZINC000092022380 218105383 /nfs/dbraw/zinc/10/53/83/218105383.db2.gz YZTYDSDGXICFJM-LJQANCHMSA-N 2 0 333.476 1.685 50 0 EDAARP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc1C ZINC000095355283 218289511 /nfs/dbraw/zinc/28/95/11/218289511.db2.gz GCMTYTNAOMBUPD-RTBURBONSA-N 2 0 332.488 1.800 50 0 EDAARP C[NH+]1CCN(CCOc2ccccc2CN2CCCC[C@@H]2C[NH3+])CC1 ZINC000216349719 277106625 /nfs/dbraw/zinc/10/66/25/277106625.db2.gz DMUDIEIVRIWFSB-LJQANCHMSA-N 2 0 346.519 1.626 50 0 EDAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)N(C)C ZINC000069585076 278341663 /nfs/dbraw/zinc/34/16/63/278341663.db2.gz VRTNPPCRVXOXJT-CRAIPNDOSA-N 2 0 333.476 1.498 50 0 EDAARP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000071876878 441180301 /nfs/dbraw/zinc/18/03/01/441180301.db2.gz VXGVIFHGWRVZIO-IAGOWNOFSA-N 2 0 333.480 1.128 50 0 EDAARP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000106519124 441349223 /nfs/dbraw/zinc/34/92/23/441349223.db2.gz KBCFGHJDFUENKT-RBUKOAKNSA-N 2 0 343.471 1.875 50 0 EDAARP C[C@H]1CCC[N@H+](CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065406696 441428605 /nfs/dbraw/zinc/42/86/05/441428605.db2.gz GMEGITLBFHULAZ-LBPRGKRZSA-N 2 0 332.473 1.836 50 0 EDAARP Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000091643955 441724765 /nfs/dbraw/zinc/72/47/65/441724765.db2.gz ZRWIXGYAKNUIKL-WOJBJXKFSA-N 2 0 332.488 1.740 50 0 EDAARP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187378085 442673184 /nfs/dbraw/zinc/67/31/84/442673184.db2.gz NHJPSOSRNVAWTI-MRXNPFEDSA-N 2 0 326.485 1.272 50 0 EDAARP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2cnn(C)c2)cs1 ZINC000252537699 443041523 /nfs/dbraw/zinc/04/15/23/443041523.db2.gz MBDZQLSPNFXGAN-CQSZACIVSA-N 2 0 337.493 1.990 50 0 EDAARP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000253406310 443057638 /nfs/dbraw/zinc/05/76/38/443057638.db2.gz XZXLJUWOJHGICG-ZWKOTPCHSA-N 2 0 337.508 1.822 50 0 EDAARP Cc1nc2c(c(N3CC[N@@H+](C)[C@H](c4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000072409369 216200623 /nfs/dbraw/zinc/20/06/23/216200623.db2.gz PBPNLYPOGKHUJP-IBGZPJMESA-N 2 0 337.471 1.966 50 0 EDAARP COCC[N@@H+]1CC[C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072435033 216229948 /nfs/dbraw/zinc/22/99/48/216229948.db2.gz IUIIVKYXPCSOMN-OAHLLOKOSA-N 2 0 344.463 1.208 50 0 EDAARP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000229194085 242150340 /nfs/dbraw/zinc/15/03/40/242150340.db2.gz VVWPUOZZRVYSFL-SJORKVTESA-N 2 0 329.448 1.540 50 0 EDAARP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262324757 139270340 /nfs/dbraw/zinc/27/03/40/139270340.db2.gz FWGDYFBRXMCRTN-MSOLQXFVSA-N 2 0 331.460 1.046 50 0 EDAARP C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000328597473 258041889 /nfs/dbraw/zinc/04/18/89/258041889.db2.gz HQSBNALXNFAAFD-YJBOKZPZSA-N 2 0 331.460 1.637 50 0 EDAARP C[NH+](C)CCCOc1cccc(CN2CC[N@H+](C)[C@H](CCO)C2)c1 ZINC000104404979 441195114 /nfs/dbraw/zinc/19/51/14/441195114.db2.gz QJRHQDYACRFWPZ-GOSISDBHSA-N 2 0 335.492 1.516 50 0 EDAARP O=C(C[C@@H]1COCC[NH2+]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000082097103 441332662 /nfs/dbraw/zinc/33/26/62/441332662.db2.gz JAVRCJRKCWNURV-GOSISDBHSA-N 2 0 343.471 1.414 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000075131178 441499786 /nfs/dbraw/zinc/49/97/86/441499786.db2.gz XWBXZWJXELLZHT-DOTOQJQBSA-N 2 0 325.497 1.460 50 0 EDAARP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000077287358 441747105 /nfs/dbraw/zinc/74/71/05/441747105.db2.gz CFCHROSZVLTBEF-MSOLQXFVSA-N 2 0 331.460 1.080 50 0 EDAARP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000096447209 442134048 /nfs/dbraw/zinc/13/40/48/442134048.db2.gz JJODXKWJLZFGIB-UHFFFAOYSA-N 2 0 334.468 1.537 50 0 EDAARP CC[C@@]1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC[NH2+]1 ZINC000134614473 442500503 /nfs/dbraw/zinc/50/05/03/442500503.db2.gz SYLNHCBTUMISNT-IBGZPJMESA-N 2 0 337.508 1.918 50 0 EDAARP CCn1c(CN(C)CC[NH+]2CCC(C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550910 443042939 /nfs/dbraw/zinc/04/29/39/443042939.db2.gz TULTVFDCLWOWCW-IYBDPMFKSA-N 2 0 334.512 1.666 50 0 EDAARP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000253406307 443057323 /nfs/dbraw/zinc/05/73/23/443057323.db2.gz XZXLJUWOJHGICG-ROUUACIJSA-N 2 0 337.508 1.822 50 0 EDAARP CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000229559489 443130079 /nfs/dbraw/zinc/13/00/79/443130079.db2.gz MLUVOYVBPGDUSI-IPMKNSEASA-N 2 0 337.508 1.555 50 0 EDAARP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099225 443194663 /nfs/dbraw/zinc/19/46/63/443194663.db2.gz KHQKJWXSUFNRHB-HOTGVXAUSA-N 2 0 337.851 1.143 50 0 EDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCN(Cc2ccccc2)CC1 ZINC000072141723 216027589 /nfs/dbraw/zinc/02/75/89/216027589.db2.gz QYNXMSFEPTXNKW-SFHVURJKSA-N 2 0 342.487 1.063 50 0 EDAARP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009289514 291657358 /nfs/dbraw/zinc/65/73/58/291657358.db2.gz GHOXPNHJKBCMRF-HOCLYGCPSA-N 2 0 342.447 1.436 50 0 EDAARP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](Cc2ccncc2)CC3)C1 ZINC000092046738 277135113 /nfs/dbraw/zinc/13/51/13/277135113.db2.gz ZFBBGTFSELHTSG-GOSISDBHSA-N 2 0 342.487 1.990 50 0 EDAARP CC(C)(C)[NH2+]C[C@]1(O)C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019773635 278370636 /nfs/dbraw/zinc/37/06/36/278370636.db2.gz LBDHKBFIUGVKSQ-UUKMXZOPSA-N 2 0 329.488 1.305 50 0 EDAARP Cc1ccccc1CN(CCO)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072134498 302098462 /nfs/dbraw/zinc/09/84/62/302098462.db2.gz PABVZNNRQGHOLJ-KRWDZBQOSA-N 2 0 331.460 1.048 50 0 EDAARP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC000058421759 441194077 /nfs/dbraw/zinc/19/40/77/441194077.db2.gz YFTXOUYFMGXLID-UHFFFAOYSA-N 2 0 336.528 1.337 50 0 EDAARP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781265 441370085 /nfs/dbraw/zinc/37/00/85/441370085.db2.gz UQRJBIDZBLAEKG-QWHCGFSZSA-N 2 0 340.493 1.495 50 0 EDAARP Cn1cncc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420607 441452583 /nfs/dbraw/zinc/45/25/83/441452583.db2.gz PAEYGJOGOHZZQV-QGZVFWFLSA-N 2 0 341.459 1.407 50 0 EDAARP Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000097199400 442182437 /nfs/dbraw/zinc/18/24/37/442182437.db2.gz KAQSSFGAXAICCX-MRXNPFEDSA-N 2 0 329.448 1.632 50 0 EDAARP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)CC1 ZINC000253427463 443066793 /nfs/dbraw/zinc/06/67/93/443066793.db2.gz MPVUQMHVFXKCHR-WMLDXEAASA-N 2 0 334.439 1.856 50 0 EDAARP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000375280901 446692142 /nfs/dbraw/zinc/69/21/42/446692142.db2.gz SEMWEQBLAQBCSN-UHFFFAOYSA-N 2 0 337.508 1.868 50 0 EDAARP CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426509915 447461461 /nfs/dbraw/zinc/46/14/61/447461461.db2.gz CUQSWBPXPIZBLJ-INIZCTEOSA-N 2 0 333.476 1.755 50 0 EDAARP COCC[N@@H+]1CC[C@H](C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000534632589 448458522 /nfs/dbraw/zinc/45/85/22/448458522.db2.gz GZWNCRGAUDMIIO-INIZCTEOSA-N 2 0 325.497 1.726 50 0 EDAARP Cc1nc(N2CC[C@H]([NH+](C)C)C2)nc(N2CC[C@H]([NH+](C)C)C2)c1C ZINC000952993017 708038177 /nfs/dbraw/zinc/03/81/77/708038177.db2.gz UQJIYNMLWQQIOY-HOTGVXAUSA-N 2 0 332.496 1.374 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000069349792 215383479 /nfs/dbraw/zinc/38/34/79/215383479.db2.gz GPXFPXOZUXYCBW-AWEZNQCLSA-N 2 0 347.438 1.589 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1nccs1)CC[NH+](C)CC2 ZINC000072428358 216219738 /nfs/dbraw/zinc/21/97/38/216219738.db2.gz JUAPMWLUMJPVKJ-AWEZNQCLSA-N 2 0 336.505 1.956 50 0 EDAARP Cc1cc(C)nc(CN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072463675 216246557 /nfs/dbraw/zinc/24/65/57/216246557.db2.gz WDDFMLNIXMYAQU-KRWDZBQOSA-N 2 0 330.476 1.731 50 0 EDAARP Cc1c(F)cccc1C[N@@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095360691 218293473 /nfs/dbraw/zinc/29/34/73/218293473.db2.gz QOOZJOPHJDMORJ-QZTJIDSGSA-N 2 0 335.467 1.422 50 0 EDAARP C[N@@H+]1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@H]1CO ZINC000216020610 258072244 /nfs/dbraw/zinc/07/22/44/258072244.db2.gz HTOYQGBMRWATFN-LJQANCHMSA-N 2 0 347.503 1.660 50 0 EDAARP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000058391417 441187992 /nfs/dbraw/zinc/18/79/92/441187992.db2.gz KBCFGHJDFUENKT-RTBURBONSA-N 2 0 343.471 1.875 50 0 EDAARP Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](Cc2ccccc2)C3)[nH]n1 ZINC000065430918 441431706 /nfs/dbraw/zinc/43/17/06/441431706.db2.gz HSFYYLCDBKILQO-VQIMIIECSA-N 2 0 339.443 1.056 50 0 EDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)[C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000252486924 443030059 /nfs/dbraw/zinc/03/00/59/443030059.db2.gz OLZXTESLNGFATI-PKOBYXMFSA-N 2 0 331.460 1.035 50 0 EDAARP Cc1nc(C2=CCN(CC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000230156501 443133384 /nfs/dbraw/zinc/13/33/84/443133384.db2.gz RIFXJTGTMRMFRZ-CQSZACIVSA-N 2 0 347.463 1.458 50 0 EDAARP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237468504 443172959 /nfs/dbraw/zinc/17/29/59/443172959.db2.gz LJEZGWHLMMVPCA-MSOLQXFVSA-N 2 0 344.503 1.927 50 0 EDAARP CC1(C)CC(NC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CC(C)(C)[NH2+]1 ZINC000426712005 447493659 /nfs/dbraw/zinc/49/36/59/447493659.db2.gz HVAKWGBJUUVTEW-AWEZNQCLSA-N 2 0 347.507 1.776 50 0 EDAARP CC[C@@H](O)C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639503140 451909108 /nfs/dbraw/zinc/90/91/08/451909108.db2.gz BNEVFIUJSSUDBN-UXHICEINSA-N 2 0 347.503 1.012 50 0 EDAARP C[NH+]1CCN(CCOc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000222982912 485801911 /nfs/dbraw/zinc/80/19/11/485801911.db2.gz ZLIOTQDOAZJGBI-UHFFFAOYSA-N 2 0 333.476 1.270 50 0 EDAARP COc1ccc(C[NH2+]CCCO)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012437748 707907185 /nfs/dbraw/zinc/90/71/85/707907185.db2.gz JILFYPBWTXAQQK-INIZCTEOSA-N 2 0 340.464 1.247 50 0 EDAARP CN(C)[C@H](CNc1c(=O)c(=O)c1NCCC[NH+](C)C)c1ccccc1 ZINC000101678214 219154775 /nfs/dbraw/zinc/15/47/75/219154775.db2.gz PBIWNPQZZMKASN-OAHLLOKOSA-N 2 0 344.459 1.361 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nccn1C)CC[NH+](C)CC2 ZINC000072463247 216244754 /nfs/dbraw/zinc/24/47/54/216244754.db2.gz MJVXYXWZRNPRBZ-INIZCTEOSA-N 2 0 347.507 1.575 50 0 EDAARP COCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229513700 242172082 /nfs/dbraw/zinc/17/20/82/242172082.db2.gz UBBDTKINKFECHG-PXNSSMCTSA-N 2 0 347.503 1.058 50 0 EDAARP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000245921175 285021768 /nfs/dbraw/zinc/02/17/68/285021768.db2.gz GZIIVDPIPMVEGX-GVDBMIGSSA-N 2 0 338.496 1.223 50 0 EDAARP Cc1cc(C)n(-c2ccccc2C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000244723975 274691731 /nfs/dbraw/zinc/69/17/31/274691731.db2.gz MLDATEMRMXXMTB-LJQANCHMSA-N 2 0 339.487 1.969 50 0 EDAARP C[NH+]1CCC(N2CCC[C@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583647 441136641 /nfs/dbraw/zinc/13/66/41/441136641.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 2 0 336.524 1.537 50 0 EDAARP Cc1cc(N2CCC(n3cc(CN4CC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC000082039338 441330206 /nfs/dbraw/zinc/33/02/06/441330206.db2.gz BOUAEHRFYPYSLC-UHFFFAOYSA-N 2 0 341.463 1.228 50 0 EDAARP Cc1c[nH+]ccc1N1CCN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063857097 441358686 /nfs/dbraw/zinc/35/86/86/441358686.db2.gz CBSMJRPAIOHHES-WOJBJXKFSA-N 2 0 344.503 1.891 50 0 EDAARP O=C(NCCCc1ccncc1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065381254 441421126 /nfs/dbraw/zinc/42/11/26/441421126.db2.gz PIHZLXLFVAAFTG-YLJYHZDGSA-N 2 0 342.487 1.594 50 0 EDAARP C[C@@H]1C[N@H+](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089938982 441600209 /nfs/dbraw/zinc/60/02/09/441600209.db2.gz XLRHNWVAZSVLQL-QGZVFWFLSA-N 2 0 344.503 1.403 50 0 EDAARP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cn1cncn1 ZINC000067723889 441673476 /nfs/dbraw/zinc/67/34/76/441673476.db2.gz QZFOTCXGIZYKTF-UHFFFAOYSA-N 2 0 341.459 1.911 50 0 EDAARP C[C@@H](C(=O)NC1CCCCCC1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069923586 442077210 /nfs/dbraw/zinc/07/72/10/442077210.db2.gz OXWSCORAQNTACS-INIZCTEOSA-N 2 0 339.524 1.850 50 0 EDAARP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000189319391 442920766 /nfs/dbraw/zinc/92/07/66/442920766.db2.gz MLNFBCDJOACMLM-ZWKOTPCHSA-N 2 0 346.475 1.523 50 0 EDAARP COc1cccc(OCCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000223270470 443087284 /nfs/dbraw/zinc/08/72/84/443087284.db2.gz SIUUQXVGADRTEX-UHFFFAOYSA-N 2 0 343.431 1.787 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3ncc[nH]3)C2)CC1 ZINC000071776377 491166765 /nfs/dbraw/zinc/16/67/65/491166765.db2.gz HNDOGPAWTCDMPE-INIZCTEOSA-N 2 0 347.507 1.953 50 0 EDAARP CN1C(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2C1=O ZINC000097797674 219058076 /nfs/dbraw/zinc/05/80/76/219058076.db2.gz NQUSATXAIJRXOO-GASCZTMLSA-N 2 0 333.457 1.391 50 0 EDAARP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000066960787 215098684 /nfs/dbraw/zinc/09/86/84/215098684.db2.gz ZPGHDONODGUWKR-AWEZNQCLSA-N 2 0 338.496 1.807 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc4nonc43)CC[C@H]21 ZINC000072423543 216213058 /nfs/dbraw/zinc/21/30/58/216213058.db2.gz BMDZTLIKEQZBJL-XJKSGUPXSA-N 2 0 343.431 1.255 50 0 EDAARP CC(C)[NH+]1CCN(CCCN2CC3(CC[NH+](C)CC3)OC2=O)CC1 ZINC000072423580 216212914 /nfs/dbraw/zinc/21/29/14/216212914.db2.gz RHXBBQQJYJUUNY-UHFFFAOYSA-N 2 0 338.496 1.319 50 0 EDAARP Cc1[nH+]c(N2CCCC2)nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c1C ZINC000219414084 241386258 /nfs/dbraw/zinc/38/62/58/241386258.db2.gz WAHAJAAAXJEVHY-QKPAOTATSA-N 2 0 331.464 1.823 50 0 EDAARP O=C(NCCc1nc2c(s1)CCC2)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165908 283965912 /nfs/dbraw/zinc/96/59/12/283965912.db2.gz RWTSMHUOBRDVCG-CYBMUJFWSA-N 2 0 334.489 1.022 50 0 EDAARP CC[NH+]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC000020907472 212185745 /nfs/dbraw/zinc/18/57/45/212185745.db2.gz YDROCTIARAAMPT-FQEVSTJZSA-N 2 0 348.535 1.348 50 0 EDAARP O[C@H]1COC[C@@H]1N1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067560796 285368864 /nfs/dbraw/zinc/36/88/64/285368864.db2.gz HPQZPIIUZGFMEC-ROUUACIJSA-N 2 0 337.508 1.066 50 0 EDAARP CC(C)[C@H]([NH3+])C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236719348 276019502 /nfs/dbraw/zinc/01/95/02/276019502.db2.gz MEBRLOZRBCSSAI-ZOBUZTSGSA-N 2 0 325.497 1.708 50 0 EDAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006790330 441014843 /nfs/dbraw/zinc/01/48/43/441014843.db2.gz TZFHQOJOVUJDOY-HNNXBMFYSA-N 2 0 338.448 1.470 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C3Cc4ccccc4C3)CC[C@H]21 ZINC000072423993 441231441 /nfs/dbraw/zinc/23/14/41/441231441.db2.gz TZIRIZNTDBMDEL-PKOBYXMFSA-N 2 0 327.472 1.686 50 0 EDAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCOc2ccc(Cl)cc2C1 ZINC000072147949 441205392 /nfs/dbraw/zinc/20/53/92/441205392.db2.gz PJVMWCKVNMCJEE-HNNXBMFYSA-N 2 0 349.862 1.793 50 0 EDAARP C[C@@H]1CN(CCNC(=O)NC[C@H](c2ccco2)N(C)C)C[C@H](C)O1 ZINC000106084569 441325262 /nfs/dbraw/zinc/32/52/62/441325262.db2.gz DKKQNGKTJBBERR-QLFBSQMISA-N 2 0 338.452 1.291 50 0 EDAARP Cn1ccnc1C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069490700 441951225 /nfs/dbraw/zinc/95/12/25/441951225.db2.gz DHTLOMYSHSXPME-SFHVURJKSA-N 2 0 328.460 1.955 50 0 EDAARP O[C@H]1C[C@H](C[NH2+]C2CCC3(CC2)OCCO3)N(Cc2ccccc2)C1 ZINC000161734250 442028784 /nfs/dbraw/zinc/02/87/84/442028784.db2.gz DQBQLMYMPUFTRU-MOPGFXCFSA-N 2 0 346.471 1.897 50 0 EDAARP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C1 ZINC000096443356 442133595 /nfs/dbraw/zinc/13/35/95/442133595.db2.gz RVEYYSVOFPUBML-IBGZPJMESA-N 2 0 329.488 1.876 50 0 EDAARP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246310573 442770878 /nfs/dbraw/zinc/77/08/78/442770878.db2.gz AKKNGPIBEYLNCI-QZTJIDSGSA-N 2 0 327.513 1.122 50 0 EDAARP Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000012054270 710365816 /nfs/dbraw/zinc/36/58/16/710365816.db2.gz PCAJDYXYGTXGFT-MRXNPFEDSA-N 2 0 333.480 1.186 50 0 EDAARP CNc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc(C)[nH+]1 ZINC000072422521 216212275 /nfs/dbraw/zinc/21/22/75/216212275.db2.gz IMBYBJFXQSSNMF-QGZVFWFLSA-N 2 0 341.459 1.900 50 0 EDAARP CCC[N@@H+]1CCCN(c2nc(COCC)nc3c2CC[NH2+]CC3)CC1 ZINC000072468544 216247757 /nfs/dbraw/zinc/24/77/57/216247757.db2.gz YANMSSXWDWONDO-UHFFFAOYSA-N 2 0 347.507 1.623 50 0 EDAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000091587406 218027258 /nfs/dbraw/zinc/02/72/58/218027258.db2.gz SJIRAMSCXSHWKY-UHFFFAOYSA-N 2 0 332.496 1.152 50 0 EDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000408525537 250303279 /nfs/dbraw/zinc/30/32/79/250303279.db2.gz SJMQQYHYWMRLKN-ZIFCJYIRSA-N 2 0 336.524 1.393 50 0 EDAARP O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000069607801 303610505 /nfs/dbraw/zinc/61/05/05/303610505.db2.gz GSGFJBIHDLCEPJ-LJQANCHMSA-N 2 0 348.535 1.680 50 0 EDAARP Nc1cc[n+](Cc2nc3ccccc3nc2C[n+]2ccc(N)cc2)cc1 ZINC000020031106 441262422 /nfs/dbraw/zinc/26/24/22/441262422.db2.gz GAMGTCUZMIPHSS-UHFFFAOYSA-P 2 0 344.422 1.466 50 0 EDAARP C[C@H](NC(=O)C[NH2+]CC1CC[NH+](CCO)CC1)c1cccs1 ZINC000075602787 441538687 /nfs/dbraw/zinc/53/86/87/441538687.db2.gz MSKOPGIYFAEQBM-ZDUSSCGKSA-N 2 0 325.478 1.219 50 0 EDAARP O=C(C[NH2+]CC1CC[NH+](CCO)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000089818631 441582063 /nfs/dbraw/zinc/58/20/63/441582063.db2.gz XQTMIRISSBTASP-ROUUACIJSA-N 2 0 337.508 1.462 50 0 EDAARP Cc1ccc2[nH]c(CC[NH2+][C@@H](C)CN3CC[NH+](C)CC3)nc2c1C ZINC000067910109 441696181 /nfs/dbraw/zinc/69/61/81/441696181.db2.gz AFZMSOFNWZDQHJ-HNNXBMFYSA-N 2 0 329.492 1.948 50 0 EDAARP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)[C@H]1C ZINC000241587783 443208095 /nfs/dbraw/zinc/20/80/95/443208095.db2.gz OXEKQOJMDFZNEQ-RYRKJORJSA-N 2 0 339.524 1.563 50 0 EDAARP Cc1c[nH+]ccc1N1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244734581 443213228 /nfs/dbraw/zinc/21/32/28/443213228.db2.gz NIFYIZNCLWGSOJ-OKILXGFUSA-N 2 0 339.447 1.294 50 0 EDAARP COc1cc(OC)cc(N2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)c1 ZINC000864096538 596754197 /nfs/dbraw/zinc/75/41/97/596754197.db2.gz DJQCBGLRALJVTA-KKXDTOCCSA-N 2 0 335.448 1.067 50 0 EDAARP COc1cc(CCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc(OC)c1 ZINC000072145174 216032130 /nfs/dbraw/zinc/03/21/30/216032130.db2.gz ZNTWGADDVIVXIZ-QGZVFWFLSA-N 2 0 347.459 1.094 50 0 EDAARP Cc1cnn(C[C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000072253322 216083078 /nfs/dbraw/zinc/08/30/78/216083078.db2.gz CZVZPHQJWWPBMR-SFHVURJKSA-N 2 0 345.491 1.399 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCn1cc(C)cn1)CC[NH+](C)CC2 ZINC000072468506 216247328 /nfs/dbraw/zinc/24/73/28/216247328.db2.gz TWPOKRNZEXBRJP-KRWDZBQOSA-N 2 0 347.507 1.504 50 0 EDAARP C[NH+]1CCN(CCOc2ccccc2CN2CCC[C@@H]([NH3+])C2)CC1 ZINC000216340326 241182890 /nfs/dbraw/zinc/18/28/90/241182890.db2.gz GDCKBYVAXUFNSE-GOSISDBHSA-N 2 0 332.492 1.236 50 0 EDAARP Cn1c(CO)nnc1C1CC[NH+](Cc2cc(C[NH+](C)C)cs2)CC1 ZINC000097569018 219035367 /nfs/dbraw/zinc/03/53/67/219035367.db2.gz FGHIUTBOSHANTF-UHFFFAOYSA-N 2 0 349.504 1.810 50 0 EDAARP CN(C)C(=O)COc1ccccc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072477868 258064619 /nfs/dbraw/zinc/06/46/19/258064619.db2.gz YIWYKIPODWCKIY-IBGZPJMESA-N 2 0 349.475 1.042 50 0 EDAARP CC[NH+]1CCC(NC(=O)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000071893244 441186695 /nfs/dbraw/zinc/18/66/95/441186695.db2.gz RWYMKLZZSUSCNX-UHFFFAOYSA-N 2 0 348.466 1.792 50 0 EDAARP CC(C)c1cc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)nc(N)[nH+]1 ZINC000095376422 441915483 /nfs/dbraw/zinc/91/54/83/441915483.db2.gz FEWWIQGSPAHLKV-HNNXBMFYSA-N 2 0 332.496 1.646 50 0 EDAARP C[N@H+](CCC(=O)N1CCc2ccccc21)CC1CC[NH+](CCO)CC1 ZINC000069628379 441995696 /nfs/dbraw/zinc/99/56/96/441995696.db2.gz WRVSIEXYAMRUQI-UHFFFAOYSA-N 2 0 345.487 1.602 50 0 EDAARP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597789 441985223 /nfs/dbraw/zinc/98/52/23/441985223.db2.gz MNVKOJLLLQDGDW-KXBFYZLASA-N 2 0 345.487 1.689 50 0 EDAARP C[C@@H]1CN(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000192793143 442687150 /nfs/dbraw/zinc/68/71/50/442687150.db2.gz QUXQIVSKSOXEFV-GOSISDBHSA-N 2 0 339.524 1.532 50 0 EDAARP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188959752 442849743 /nfs/dbraw/zinc/84/97/43/442849743.db2.gz LFTUKZPWIHAQHE-UHFFFAOYSA-N 2 0 341.459 1.568 50 0 EDAARP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCCCC1 ZINC000237259397 443166615 /nfs/dbraw/zinc/16/66/15/443166615.db2.gz OXPKBFJIWYLJBB-PVAVHDDUSA-N 2 0 347.459 1.061 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000069371391 215391785 /nfs/dbraw/zinc/39/17/85/215391785.db2.gz REUSPSFEWKRQHA-OAHLLOKOSA-N 2 0 329.448 1.450 50 0 EDAARP C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000218989534 241356960 /nfs/dbraw/zinc/35/69/60/241356960.db2.gz PKJJVIDVQFQOPL-QZTJIDSGSA-N 2 0 349.475 1.214 50 0 EDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2CO)CC1 ZINC000091494396 218013873 /nfs/dbraw/zinc/01/38/73/218013873.db2.gz KACGBUSYXOXLIR-WOJBJXKFSA-N 2 0 331.504 1.673 50 0 EDAARP C[NH+](C)Cc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000091846395 218076319 /nfs/dbraw/zinc/07/63/19/218076319.db2.gz DSHHLMBFNARXAQ-WOJBJXKFSA-N 2 0 331.504 1.884 50 0 EDAARP COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1OCCC[NH3+] ZINC000299756832 258074887 /nfs/dbraw/zinc/07/48/87/258074887.db2.gz JHZCATRKRVTBBS-AWEZNQCLSA-N 2 0 333.432 1.343 50 0 EDAARP C[N@@H+](Cc1nnc(-c2ccccc2)o1)CC1CC[NH+](CCO)CC1 ZINC000069949178 441094649 /nfs/dbraw/zinc/09/46/49/441094649.db2.gz UYNFWUNXALGBQD-UHFFFAOYSA-N 2 0 330.432 1.873 50 0 EDAARP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000102858600 441172713 /nfs/dbraw/zinc/17/27/13/441172713.db2.gz YBGBSPQIOUYZOM-ZWJWXYIHSA-N 2 0 325.456 1.575 50 0 EDAARP COCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000072253919 441210476 /nfs/dbraw/zinc/21/04/76/441210476.db2.gz UBBDTKINKFECHG-FXAWDEMLSA-N 2 0 347.503 1.058 50 0 EDAARP C[C@@H]1CCC[N@H+](CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065406695 441428756 /nfs/dbraw/zinc/42/87/56/441428756.db2.gz GMEGITLBFHULAZ-GFCCVEGCSA-N 2 0 332.473 1.836 50 0 EDAARP O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000069607800 441988668 /nfs/dbraw/zinc/98/86/68/441988668.db2.gz GSGFJBIHDLCEPJ-IBGZPJMESA-N 2 0 348.535 1.680 50 0 EDAARP O=C(C[N@@H+]1CCCC[C@@H]1Cn1cccn1)NC1CC[NH+](C2CC2)CC1 ZINC000069813424 442047498 /nfs/dbraw/zinc/04/74/98/442047498.db2.gz AULHKQJGHFSKED-GOSISDBHSA-N 2 0 345.491 1.481 50 0 EDAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCNC2=O)CC1 ZINC000097033200 442157245 /nfs/dbraw/zinc/15/72/45/442157245.db2.gz FEEGJHQDAHBNHR-CZUORRHYSA-N 2 0 334.439 1.507 50 0 EDAARP O=S(=O)(CC[NH+]1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000192621310 442669406 /nfs/dbraw/zinc/66/94/06/442669406.db2.gz LWJBPAGSNLWBRE-INIZCTEOSA-N 2 0 329.510 1.362 50 0 EDAARP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+](C)CCc2ccccc2)C1 ZINC000426478982 447452614 /nfs/dbraw/zinc/45/26/14/447452614.db2.gz QLGPRLPMJHBTQO-GOSISDBHSA-N 2 0 332.492 1.754 50 0 EDAARP C[NH+]1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000670435473 486510763 /nfs/dbraw/zinc/51/07/63/486510763.db2.gz HWEDVCCPQFVYPR-KRWDZBQOSA-N 2 0 337.508 1.747 50 0 EDAARP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958339 214110202 /nfs/dbraw/zinc/11/02/02/214110202.db2.gz BQHJJKTYPJOMRZ-IBGZPJMESA-N 2 0 348.487 1.779 50 0 EDAARP C[NH+](C)C[C@@]1(O)CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072147768 216035414 /nfs/dbraw/zinc/03/54/14/216035414.db2.gz OVKQJLFHMYSXPN-SFHVURJKSA-N 2 0 335.448 1.017 50 0 EDAARP CC[NH+](CC)[C@H](CNc1nc(N)nc2c1CC[NH2+]CC2)c1ccco1 ZINC000072421654 216210242 /nfs/dbraw/zinc/21/02/42/216210242.db2.gz CTWNHLFATABZQR-OAHLLOKOSA-N 2 0 344.463 1.835 50 0 EDAARP Cc1ncsc1CCCNC(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072439834 216234061 /nfs/dbraw/zinc/23/40/61/216234061.db2.gz LDIXTFNUTQUKBT-CQSZACIVSA-N 2 0 336.505 1.574 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072469676 216248536 /nfs/dbraw/zinc/24/85/36/216248536.db2.gz RBMRQPKGWLPCPZ-HNNXBMFYSA-N 2 0 333.480 1.564 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCn1cccn1)CC[NH+](C)CC2 ZINC000072480814 216259546 /nfs/dbraw/zinc/25/95/46/216259546.db2.gz NFVXVNCJHFOUFH-QGZVFWFLSA-N 2 0 347.507 1.586 50 0 EDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N(C)C)nc1 ZINC000078724213 217108512 /nfs/dbraw/zinc/10/85/12/217108512.db2.gz DGTJXLUXBAVSIJ-KRWDZBQOSA-N 2 0 347.507 1.636 50 0 EDAARP Cn1c2ccccc2cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1=O ZINC000097173184 218981841 /nfs/dbraw/zinc/98/18/41/218981841.db2.gz ADTJUASEHWWPGO-KRWDZBQOSA-N 2 0 326.444 1.018 50 0 EDAARP CN(C)C(=O)COc1ccccc1CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072477867 258064847 /nfs/dbraw/zinc/06/48/47/258064847.db2.gz YIWYKIPODWCKIY-LJQANCHMSA-N 2 0 349.475 1.042 50 0 EDAARP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000102800283 258069512 /nfs/dbraw/zinc/06/95/12/258069512.db2.gz CFVHMGBCHDESNO-IMSKVBIZSA-N 2 0 344.459 1.180 50 0 EDAARP C(CN1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1)N1CCOCC1 ZINC000121580181 441736120 /nfs/dbraw/zinc/73/61/20/441736120.db2.gz NQAVKQAAPBEIDN-OTWHNJEPSA-N 2 0 349.519 1.330 50 0 EDAARP CC1CC[NH+](C[C@H](O)CN2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)CC1 ZINC000069776628 442038287 /nfs/dbraw/zinc/03/82/87/442038287.db2.gz UWQLVHOFPRUKKO-ZWKOTPCHSA-N 2 0 341.540 1.104 50 0 EDAARP Cn1c2ccccc2cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1=O ZINC000097173181 442178598 /nfs/dbraw/zinc/17/85/98/442178598.db2.gz ADTJUASEHWWPGO-QGZVFWFLSA-N 2 0 326.444 1.018 50 0 EDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000236994364 443154998 /nfs/dbraw/zinc/15/49/98/443154998.db2.gz GKIHWDMBIJINHB-DOTOQJQBSA-N 2 0 330.476 1.780 50 0 EDAARP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000245339245 443220710 /nfs/dbraw/zinc/22/07/10/443220710.db2.gz RKRWISZLPPQKMZ-ZBFHGGJFSA-N 2 0 325.522 1.899 50 0 EDAARP COCC[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C3CCCCC3)CC2)C1 ZINC000584892620 448666530 /nfs/dbraw/zinc/66/65/30/448666530.db2.gz KOZMWRUOEXETKD-KRWDZBQOSA-N 2 0 337.508 1.822 50 0 EDAARP c1cn(-c2cccc(C3=[NH+]CCN3)c2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072429129 216220883 /nfs/dbraw/zinc/22/08/83/216220883.db2.gz RCMOGZWWIMJYSA-UHFFFAOYSA-N 2 0 333.399 1.189 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cc[nH]n1)CC[NH+](C)CC2 ZINC000072430141 216221966 /nfs/dbraw/zinc/22/19/66/216221966.db2.gz XSJOWNLUOYOPFD-INIZCTEOSA-N 2 0 333.480 1.564 50 0 EDAARP Nc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244882561 243094813 /nfs/dbraw/zinc/09/48/13/243094813.db2.gz XUBZPWJBWUXMSF-IYBDPMFKSA-N 2 0 338.459 1.734 50 0 EDAARP C[NH+](C)CCNC(=O)CCc1cc2n(n1)CCC[N@@H+](C1CCCC1)C2 ZINC000091858716 218078599 /nfs/dbraw/zinc/07/85/99/218078599.db2.gz WHMHZWAWFDKPDG-UHFFFAOYSA-N 2 0 347.507 1.642 50 0 EDAARP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262324762 139270324 /nfs/dbraw/zinc/27/03/24/139270324.db2.gz FWGDYFBRXMCRTN-ROUUACIJSA-N 2 0 331.460 1.046 50 0 EDAARP Cc1ccc(CN2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)o1 ZINC000072477791 258064980 /nfs/dbraw/zinc/06/49/80/258064980.db2.gz DPTTVVRUADIYKJ-AWEZNQCLSA-N 2 0 331.420 1.342 50 0 EDAARP OCC[NH+]1CCC(C[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000069980660 441100820 /nfs/dbraw/zinc/10/08/20/441100820.db2.gz DLOGMXXUXXABNO-UHFFFAOYSA-N 2 0 328.460 1.725 50 0 EDAARP C[NH+](C)CCN(C[C@@H]1CCCO1)c1cc(C2CC[NH+](C)CC2)ncn1 ZINC000063848368 441357406 /nfs/dbraw/zinc/35/74/06/441357406.db2.gz USTNXCGEMFDYJB-KRWDZBQOSA-N 2 0 347.507 1.833 50 0 EDAARP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000075133211 441501168 /nfs/dbraw/zinc/50/11/68/441501168.db2.gz OYSLXMUIXCJKND-WMZOPIPTSA-N 2 0 341.459 1.252 50 0 EDAARP CC[C@H]1CCCCN1C(=O)C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069898300 442069973 /nfs/dbraw/zinc/06/99/73/442069973.db2.gz VPWRXKBHJGFVLW-RDJZCZTQSA-N 2 0 325.497 1.460 50 0 EDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000261932337 443174768 /nfs/dbraw/zinc/17/47/68/443174768.db2.gz LNRNSIGGWOIFHE-FGTMMUONSA-N 2 0 348.535 1.393 50 0 EDAARP C[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000426479161 447453719 /nfs/dbraw/zinc/45/37/19/447453719.db2.gz XDGOQUAULXTQNM-GOSISDBHSA-N 2 0 348.491 1.394 50 0 EDAARP [NH3+]C1(C(=O)NC[C@H]2CC[N@@H+](C3Cc4ccccc4C3)C2)CCCC1 ZINC000067847574 215230289 /nfs/dbraw/zinc/23/02/89/215230289.db2.gz KCDZMOCAQMOMLO-OAHLLOKOSA-N 2 0 327.472 1.863 50 0 EDAARP COc1ccc(OCC2CC[NH+](C[C@@]3(O)CCC[NH2+]C3)CC2)cc1 ZINC000072412270 216205103 /nfs/dbraw/zinc/20/51/03/216205103.db2.gz FCVOVNGZNCESGB-LJQANCHMSA-N 2 0 334.460 1.901 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N1CCc3n[nH]cc3C1)CC[NH+](C)CC2 ZINC000072479847 216260504 /nfs/dbraw/zinc/26/05/04/216260504.db2.gz MEVMOOPDHVYUJO-QGZVFWFLSA-N 2 0 345.491 1.491 50 0 EDAARP O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072119579 283910906 /nfs/dbraw/zinc/91/09/06/283910906.db2.gz FIBHCQWOTQUVAE-OAHLLOKOSA-N 2 0 335.398 1.802 50 0 EDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000408525536 250303026 /nfs/dbraw/zinc/30/30/26/250303026.db2.gz SJMQQYHYWMRLKN-ZHALLVOQSA-N 2 0 336.524 1.393 50 0 EDAARP Cc1nc[nH]c1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000095373229 218305529 /nfs/dbraw/zinc/30/55/29/218305529.db2.gz GARXECAQSUSXFG-INIZCTEOSA-N 2 0 345.491 1.627 50 0 EDAARP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1(C)C ZINC000261852660 139231480 /nfs/dbraw/zinc/23/14/80/139231480.db2.gz VMUXFASRMYRGPF-YZLZLFLDSA-N 2 0 345.487 1.720 50 0 EDAARP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]CCOC(C)C)c1 ZINC000014952925 295185881 /nfs/dbraw/zinc/18/58/81/295185881.db2.gz XQGNHZWDLGNRPF-MRXNPFEDSA-N 2 0 340.464 1.511 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)NC2CCCC2)CC1 ZINC000070039686 441108024 /nfs/dbraw/zinc/10/80/24/441108024.db2.gz SKDYSMCUIIUKOD-OAHLLOKOSA-N 2 0 325.497 1.460 50 0 EDAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000071920051 441196655 /nfs/dbraw/zinc/19/66/55/441196655.db2.gz KQBUMHGFDSFZCO-UHFFFAOYSA-N 2 0 332.492 1.998 50 0 EDAARP O=C(C[C@H]1COCC[NH2+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082097918 441332517 /nfs/dbraw/zinc/33/25/17/441332517.db2.gz FXRSXXXRMZSNPT-IBGZPJMESA-N 2 0 345.487 1.532 50 0 EDAARP O[C@@]1(C[NH+]2CCC(Nc3ncccn3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063857164 441358522 /nfs/dbraw/zinc/35/85/22/441358522.db2.gz DVACLYGFTNCZSV-IEBWSBKVSA-N 2 0 345.491 1.732 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000075602861 441538675 /nfs/dbraw/zinc/53/86/75/441538675.db2.gz CMLYCXHMNHJBDP-HNNXBMFYSA-N 2 0 333.476 1.571 50 0 EDAARP c1ccc(OCCCC[NH+]2CCOCC2)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000055054343 441614727 /nfs/dbraw/zinc/61/47/27/441614727.db2.gz SOWAAQVAZPCSFU-SFHVURJKSA-N 2 0 333.476 1.629 50 0 EDAARP C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000067739425 441675229 /nfs/dbraw/zinc/67/52/29/441675229.db2.gz XQOLEWDZCXHUPQ-MRXNPFEDSA-N 2 0 331.464 1.095 50 0 EDAARP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069414670 441928247 /nfs/dbraw/zinc/92/82/47/441928247.db2.gz RSPWIVCJHZYIGV-UHFFFAOYSA-N 2 0 328.888 1.991 50 0 EDAARP OCC[NH+]1CCC(C[NH2+]Cc2c(Cl)nc3sccn23)CC1 ZINC000069415290 441929173 /nfs/dbraw/zinc/92/91/73/441929173.db2.gz KFOIWROOFDCSMK-UHFFFAOYSA-N 2 0 328.869 1.843 50 0 EDAARP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000253390350 443051898 /nfs/dbraw/zinc/05/18/98/443051898.db2.gz KQYOYFOYACFNHD-QRQLOZEOSA-N 2 0 345.487 1.470 50 0 EDAARP O=C(C[NH+]1CCCCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257183389 443118896 /nfs/dbraw/zinc/11/88/96/443118896.db2.gz HMZUVSRXEKJLHC-RBUKOAKNSA-N 2 0 345.487 1.472 50 0 EDAARP C[N@H+](CCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000241965633 443209375 /nfs/dbraw/zinc/20/93/75/443209375.db2.gz UUOODDHUNVNQLF-ROUUACIJSA-N 2 0 346.475 1.281 50 0 EDAARP COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCCCC1 ZINC000277588144 444010269 /nfs/dbraw/zinc/01/02/69/444010269.db2.gz OXPKBFJIWYLJBB-UAGQMJEPSA-N 2 0 347.459 1.061 50 0 EDAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCC[NH+]1CCCCCC1 ZINC000584887028 448664283 /nfs/dbraw/zinc/66/42/83/448664283.db2.gz SOPNYXYDBVZFEH-IRXDYDNUSA-N 2 0 325.497 1.866 50 0 EDAARP Cc1cc(-n2cccn2)ccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097610208 219040706 /nfs/dbraw/zinc/04/07/06/219040706.db2.gz RYYPHNJVUKGQKZ-IBGZPJMESA-N 2 0 325.460 1.660 50 0 EDAARP CC(C)([NH3+])C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072154723 216043529 /nfs/dbraw/zinc/04/35/29/216043529.db2.gz NNYWKAJYFDSRMF-GVDBMIGSSA-N 2 0 329.444 1.518 50 0 EDAARP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000072170319 216061565 /nfs/dbraw/zinc/06/15/65/216061565.db2.gz UWIQEBXHIQWZLF-GOSISDBHSA-N 2 0 331.460 1.393 50 0 EDAARP CC(C)c1nc(CCN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)no1 ZINC000072424690 216215342 /nfs/dbraw/zinc/21/53/42/216215342.db2.gz YRWJZROUGFHHGC-CQSZACIVSA-N 2 0 349.479 1.268 50 0 EDAARP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081354433 217387306 /nfs/dbraw/zinc/38/73/06/217387306.db2.gz LZYDRPFWPCYBIH-SFHVURJKSA-N 2 0 344.503 1.458 50 0 EDAARP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000058391418 441187728 /nfs/dbraw/zinc/18/77/28/441187728.db2.gz KBCFGHJDFUENKT-MOPGFXCFSA-N 2 0 343.471 1.875 50 0 EDAARP COc1c(C)cc(C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)cc1C ZINC000071825222 441161019 /nfs/dbraw/zinc/16/10/19/441161019.db2.gz OOQMCMCZIMJBGL-UHFFFAOYSA-N 2 0 333.476 1.989 50 0 EDAARP Cc1nc2c(c(N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000106950933 441394138 /nfs/dbraw/zinc/39/41/38/441394138.db2.gz PBPNLYPOGKHUJP-LJQANCHMSA-N 2 0 337.471 1.966 50 0 EDAARP CNc1ncc(C[N@H+](C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)cn1 ZINC000065535072 441454105 /nfs/dbraw/zinc/45/41/05/441454105.db2.gz MHNDKFRWOSCZBU-UHFFFAOYSA-N 2 0 340.475 1.975 50 0 EDAARP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCSC3)c2)C1 ZINC000110687301 441522201 /nfs/dbraw/zinc/52/22/01/441522201.db2.gz HLJKGWALGYUKPT-SJORKVTESA-N 2 0 333.501 1.979 50 0 EDAARP O[C@@H](C[NH+]1CCC(C[NH2+]CCn2cncn2)CC1)c1ccccc1 ZINC000075603049 441538046 /nfs/dbraw/zinc/53/80/46/441538046.db2.gz FFFOVYIPAWGGJK-SFHVURJKSA-N 2 0 329.448 1.313 50 0 EDAARP Cc1cc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)cc[nH+]1 ZINC000077505492 441794717 /nfs/dbraw/zinc/79/47/17/441794717.db2.gz SKPYECPEOBIDAZ-UHFFFAOYSA-N 2 0 344.463 1.327 50 0 EDAARP C[N@@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000095508063 441942784 /nfs/dbraw/zinc/94/27/84/441942784.db2.gz HYOZBFORGINEDJ-IBGZPJMESA-N 2 0 347.503 1.516 50 0 EDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)[C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000097034118 442158009 /nfs/dbraw/zinc/15/80/09/442158009.db2.gz OLZXTESLNGFATI-MJGOQNOKSA-N 2 0 331.460 1.035 50 0 EDAARP c1ccc(N2CC[NH+](CCN3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000252478798 443026334 /nfs/dbraw/zinc/02/63/34/443026334.db2.gz AVGHRFIEHRUQIP-FQEVSTJZSA-N 2 0 328.504 1.884 50 0 EDAARP CCOc1ccc(CCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc1 ZINC000072146074 216032267 /nfs/dbraw/zinc/03/22/67/216032267.db2.gz YVMDYXSMEDUXRG-QGZVFWFLSA-N 2 0 331.460 1.476 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000072420169 216209363 /nfs/dbraw/zinc/20/93/63/216209363.db2.gz WESFRNUYNYIPLK-WMLDXEAASA-N 2 0 343.431 1.255 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1cnccn1)CC[NH+](C)CC2 ZINC000072427828 216218867 /nfs/dbraw/zinc/21/88/67/216218867.db2.gz FESVBQYTOHKRLD-QGZVFWFLSA-N 2 0 345.491 1.332 50 0 EDAARP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047106284 441156251 /nfs/dbraw/zinc/15/62/51/441156251.db2.gz VVWPUOZZRVYSFL-DLBZAZTESA-N 2 0 329.448 1.540 50 0 EDAARP COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C[NH+](C)C)C1 ZINC000015061843 441194453 /nfs/dbraw/zinc/19/44/53/441194453.db2.gz UBXNVSFDBOLRKB-QGZVFWFLSA-N 2 0 347.503 1.970 50 0 EDAARP Cc1cc(N2CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)nc(N)[nH+]1 ZINC000082099212 441332647 /nfs/dbraw/zinc/33/26/47/441332647.db2.gz UQXGAZLMWWOXAJ-HNNXBMFYSA-N 2 0 347.463 1.217 50 0 EDAARP CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000069652164 442000416 /nfs/dbraw/zinc/00/04/16/442000416.db2.gz RIVBJARJPGQTPK-MRXNPFEDSA-N 2 0 343.475 1.886 50 0 EDAARP CCNC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000097165820 442178753 /nfs/dbraw/zinc/17/87/53/442178753.db2.gz IVECRMZXKBLFQA-ZFWWWQNUSA-N 2 0 335.448 1.379 50 0 EDAARP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000182513212 442778702 /nfs/dbraw/zinc/77/87/02/442778702.db2.gz MFRBRZRTKUCDMR-RTBURBONSA-N 2 0 345.487 1.642 50 0 EDAARP CC[NH+]1CCN(C(C)(C)CNc2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000223430753 443089841 /nfs/dbraw/zinc/08/98/41/443089841.db2.gz ILCJLHSQJBZAMC-UHFFFAOYSA-N 2 0 347.511 1.092 50 0 EDAARP [NH3+][C@H]1C[C@H](c2nnc(C[NH2+]CCCn3cc(Cl)cn3)n2C2CC2)C1 ZINC000253378354 443052338 /nfs/dbraw/zinc/05/23/38/443052338.db2.gz CITJMMPFKXRMQJ-AULYBMBSSA-N 2 0 349.870 1.848 50 0 EDAARP COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1OCC[NH3+] ZINC000426498345 447459338 /nfs/dbraw/zinc/45/93/38/447459338.db2.gz AJYUQPSMUIUJMF-HNNXBMFYSA-N 2 0 333.432 1.343 50 0 EDAARP CN1CC[NH+](C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000584891169 448667166 /nfs/dbraw/zinc/66/71/66/448667166.db2.gz WQKQUPKIEBQYKU-SFHVURJKSA-N 2 0 336.524 1.348 50 0 EDAARP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000084544259 486266253 /nfs/dbraw/zinc/26/62/53/486266253.db2.gz KHHZXHPRIXSWRG-ZWKOTPCHSA-N 2 0 337.508 1.412 50 0 EDAARP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000084544257 486266781 /nfs/dbraw/zinc/26/67/81/486266781.db2.gz KHHZXHPRIXSWRG-ROUUACIJSA-N 2 0 337.508 1.412 50 0 EDAARP C[NH+]1CCC(O)(C(=O)NCC[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000670435474 486510568 /nfs/dbraw/zinc/51/05/68/486510568.db2.gz HWEDVCCPQFVYPR-QGZVFWFLSA-N 2 0 337.508 1.747 50 0 EDAARP CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)nc1 ZINC000067965652 215262094 /nfs/dbraw/zinc/26/20/94/215262094.db2.gz JSCWHYDBCHOTIQ-INIZCTEOSA-N 2 0 330.476 1.854 50 0 EDAARP c1csc(C[N@@H+]2CCCN(c3ncnc4c3CC[NH2+]CC4)CC2)c1 ZINC000072458646 216243865 /nfs/dbraw/zinc/24/38/65/216243865.db2.gz NQJMMWZMAMDWSA-UHFFFAOYSA-N 2 0 343.500 1.939 50 0 EDAARP Cc1ccc2ncccc2c1C[NH+]1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091997766 218101154 /nfs/dbraw/zinc/10/11/54/218101154.db2.gz SDKDTBFFQRVLKY-IAGOWNOFSA-N 2 0 343.471 1.508 50 0 EDAARP O=C1CC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072448124 296330537 /nfs/dbraw/zinc/33/05/37/296330537.db2.gz CVKBFWSUBNSFAQ-FUHWJXTLSA-N 2 0 335.492 1.478 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)NC2CCCCC2)CC1 ZINC000075133418 441500574 /nfs/dbraw/zinc/50/05/74/441500574.db2.gz LIOZRZRSHJIZPF-MRXNPFEDSA-N 2 0 339.524 1.850 50 0 EDAARP Nc1nc(N2[C@@H]3CC[C@H]2C[NH2+]CC3)nc(NCc2ccccc2)[nH+]1 ZINC000065528389 441452256 /nfs/dbraw/zinc/45/22/56/441452256.db2.gz LNSYFMBJZATDCA-KGLIPLIRSA-N 2 0 325.420 1.397 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000069663494 442006401 /nfs/dbraw/zinc/00/64/01/442006401.db2.gz SJTJMNBAVBNOJR-GUYCJALGSA-N 2 0 337.439 1.377 50 0 EDAARP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC000097096460 442166066 /nfs/dbraw/zinc/16/60/66/442166066.db2.gz GHZQVXSMTNCYTE-HKUYNNGSSA-N 2 0 331.460 1.518 50 0 EDAARP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000189238064 442903184 /nfs/dbraw/zinc/90/31/84/442903184.db2.gz QMWCQVWPRKHULO-RBUKOAKNSA-N 2 0 345.487 1.530 50 0 EDAARP CN1CC[NH+](C2(CNc3cc(C4CC([NH3+])C4)ncn3)CCCC2)CC1 ZINC000223592337 443092293 /nfs/dbraw/zinc/09/22/93/443092293.db2.gz UBZVIFHBJIPKOP-UHFFFAOYSA-N 2 0 344.507 1.653 50 0 EDAARP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000253390348 443052106 /nfs/dbraw/zinc/05/21/06/443052106.db2.gz KQYOYFOYACFNHD-NZSAHSFTSA-N 2 0 345.487 1.470 50 0 EDAARP CN1CCCN(S(=O)(=O)c2cccc(NCc3ncc[nH]3)c2)CC1 ZINC000408516481 447669401 /nfs/dbraw/zinc/66/94/01/447669401.db2.gz RFTODBJDEGRDCB-UHFFFAOYSA-N 2 0 349.460 1.348 50 0 EDAARP CN1CC[NH+](C[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000584891168 448666849 /nfs/dbraw/zinc/66/68/49/448666849.db2.gz WQKQUPKIEBQYKU-GOSISDBHSA-N 2 0 336.524 1.348 50 0 EDAARP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067981961 215267167 /nfs/dbraw/zinc/26/71/67/215267167.db2.gz WGRWWLOMWPPOFV-HNNXBMFYSA-N 2 0 331.460 1.823 50 0 EDAARP O=C(NCc1ccccc1-n1cccn1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072153961 216042371 /nfs/dbraw/zinc/04/23/71/216042371.db2.gz ZYCISQPAPLSURJ-MRXNPFEDSA-N 2 0 339.443 1.220 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)n[nH]1)CC[NH+](C)CC2 ZINC000072458244 216244290 /nfs/dbraw/zinc/24/42/90/216244290.db2.gz FIAMOILZMYWNLT-MRXNPFEDSA-N 2 0 333.480 1.531 50 0 EDAARP CCc1c(C)[nH+]c(N)nc1N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095362273 218295417 /nfs/dbraw/zinc/29/54/17/218295417.db2.gz HYKCIMDPPPXNHR-OAHLLOKOSA-N 2 0 332.496 1.393 50 0 EDAARP Cc1cc(N2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000095370219 218303152 /nfs/dbraw/zinc/30/31/52/218303152.db2.gz SDPAKNBZQNJGBV-INIZCTEOSA-N 2 0 339.443 1.929 50 0 EDAARP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@H](O)C(F)(F)F ZINC000408518939 280325103 /nfs/dbraw/zinc/32/51/03/280325103.db2.gz LJKNBHWWJIJMLZ-GJZGRUSLSA-N 2 0 339.446 1.940 50 0 EDAARP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237615296 297013771 /nfs/dbraw/zinc/01/37/71/297013771.db2.gz BHHPAWUVLGQHMC-JZXOWHBKSA-N 2 0 337.508 1.866 50 0 EDAARP Cc1nc(CC[NH3+])cc(N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000067895577 302585609 /nfs/dbraw/zinc/58/56/09/302585609.db2.gz YQAYKFJBGUCLEW-HNNXBMFYSA-N 2 0 346.523 1.139 50 0 EDAARP CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)[nH]1 ZINC000071775589 441153891 /nfs/dbraw/zinc/15/38/91/441153891.db2.gz MFLFQPKXTZNUIQ-HOTGVXAUSA-N 2 0 347.507 1.478 50 0 EDAARP C[N@H+](CCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000072274041 441215978 /nfs/dbraw/zinc/21/59/78/441215978.db2.gz UUOODDHUNVNQLF-MSOLQXFVSA-N 2 0 346.475 1.281 50 0 EDAARP O=C([C@H]1C[NH2+]CCO1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000082087762 441331024 /nfs/dbraw/zinc/33/10/24/441331024.db2.gz UIRMUHRZQPARKL-GOSISDBHSA-N 2 0 329.444 1.024 50 0 EDAARP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000082138373 441336309 /nfs/dbraw/zinc/33/63/09/441336309.db2.gz ACQOKAPJNYWTAU-GOSISDBHSA-N 2 0 331.460 1.345 50 0 EDAARP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077542144 441802699 /nfs/dbraw/zinc/80/26/99/441802699.db2.gz LETNIEISAQXPHC-LJQANCHMSA-N 2 0 343.471 1.067 50 0 EDAARP CCOc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000069665461 442007169 /nfs/dbraw/zinc/00/71/69/442007169.db2.gz FYMBDYQZHPRQRA-UHFFFAOYSA-N 2 0 336.480 1.826 50 0 EDAARP [NH3+]C1CC(c2cc(NC3CC[NH+](C4CCOCC4)CC3)ncn2)C1 ZINC000223913375 443094639 /nfs/dbraw/zinc/09/46/39/443094639.db2.gz CXKHULWDMCBRLC-UHFFFAOYSA-N 2 0 331.464 1.737 50 0 EDAARP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000237385012 443170963 /nfs/dbraw/zinc/17/09/63/443170963.db2.gz QXDGXRZLHRBARY-QZTJIDSGSA-N 2 0 344.503 1.845 50 0 EDAARP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000670466126 486557482 /nfs/dbraw/zinc/55/74/82/486557482.db2.gz XLGGCCIHMFRFHQ-SFHVURJKSA-N 2 0 331.460 1.490 50 0 EDAARP C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)C[C@@H]32)CC1 ZINC000102587633 219211977 /nfs/dbraw/zinc/21/19/77/219211977.db2.gz BXEGTNMCLZETGQ-SWAOIJHYSA-N 2 0 329.488 1.541 50 0 EDAARP COCC(=O)N1CCC[N@H+](CC2=CC[NH+]([C@H]3C=CCCC3)CC2)CC1 ZINC000067473251 215151508 /nfs/dbraw/zinc/15/15/08/215151508.db2.gz JNJVGJQCYBMDLG-IBGZPJMESA-N 2 0 347.503 1.908 50 0 EDAARP CCn1cc(CN(C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)C(C)C)cn1 ZINC000072166569 216055040 /nfs/dbraw/zinc/05/50/40/216055040.db2.gz YEPFYJQEGRMBNI-MRXNPFEDSA-N 2 0 333.480 1.372 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1cccnc1)CC[NH+](C)CC2 ZINC000072476283 216254117 /nfs/dbraw/zinc/25/41/17/216254117.db2.gz MJZLOIJOKRFWLJ-GOSISDBHSA-N 2 0 344.503 1.937 50 0 EDAARP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000187927602 533485680 /nfs/dbraw/zinc/48/56/80/533485680.db2.gz MNCAHYWAZQIPAJ-IPMKNSEASA-N 2 0 345.487 1.953 50 0 EDAARP CNS(=O)(=O)c1cccc2c1CCN(CCCn1ccnc1)C2 ZINC000284918575 274386342 /nfs/dbraw/zinc/38/63/42/274386342.db2.gz VQAFPLROXQQMAA-UHFFFAOYSA-N 2 0 334.445 1.240 50 0 EDAARP C[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000101386082 441155553 /nfs/dbraw/zinc/15/55/53/441155553.db2.gz NLLONOREDMOJFD-SFHVURJKSA-N 2 0 328.460 1.774 50 0 EDAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1)N1CCOCC1 ZINC000082127713 441335589 /nfs/dbraw/zinc/33/55/89/441335589.db2.gz BASDYCHIQBLOHY-QGZVFWFLSA-N 2 0 349.519 1.964 50 0 EDAARP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000065499369 441446696 /nfs/dbraw/zinc/44/66/96/441446696.db2.gz VVTVNNZCMSNXIU-QRVBRYPASA-N 2 0 343.471 1.630 50 0 EDAARP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccn1 ZINC000108465411 441455532 /nfs/dbraw/zinc/45/55/32/441455532.db2.gz RALCXPZSEAUFMJ-DLBZAZTESA-N 2 0 346.475 1.578 50 0 EDAARP CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000225653443 443117797 /nfs/dbraw/zinc/11/77/97/443117797.db2.gz SDSISISPVHGUHM-MRXNPFEDSA-N 2 0 339.528 1.044 50 0 EDAARP CCO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)c(CC)o1 ZINC000055326142 214307603 /nfs/dbraw/zinc/30/76/03/214307603.db2.gz XVZCVFJLACRADN-YOEHRIQHSA-N 2 0 335.448 1.545 50 0 EDAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000039454933 213235462 /nfs/dbraw/zinc/23/54/62/213235462.db2.gz UHTPUKZQZTTWQS-HXUWFJFHSA-N 2 0 331.504 1.958 50 0 EDAARP COc1ccccc1CN(C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)C1CC1 ZINC000072146291 216033654 /nfs/dbraw/zinc/03/36/54/216033654.db2.gz QFHFQHHGQVHQKG-QGZVFWFLSA-N 2 0 343.471 1.918 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cc(C)no1)CC[NH+](C)CC2 ZINC000072447894 216237830 /nfs/dbraw/zinc/23/78/30/216237830.db2.gz MQFLBUUQTBCYBX-INIZCTEOSA-N 2 0 334.464 1.796 50 0 EDAARP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)N(C)C ZINC000069585063 274511819 /nfs/dbraw/zinc/51/18/19/274511819.db2.gz VRTNPPCRVXOXJT-YJBOKZPZSA-N 2 0 333.476 1.498 50 0 EDAARP CC(=O)NCC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012758368 275781708 /nfs/dbraw/zinc/78/17/08/275781708.db2.gz MQPTZKBAADOSJN-SFHVURJKSA-N 2 0 349.475 1.138 50 0 EDAARP Cc1ccc(C[N@@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)cc1 ZINC000106948637 441393207 /nfs/dbraw/zinc/39/32/07/441393207.db2.gz ORGGSXJUUGUWBB-QGZVFWFLSA-N 2 0 341.459 1.749 50 0 EDAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(n2cc(CCO)nn2)CC1 ZINC000065493181 441445178 /nfs/dbraw/zinc/44/51/78/441445178.db2.gz XPOQBZRXOQPLFC-UHFFFAOYSA-N 2 0 335.496 1.572 50 0 EDAARP CC(C)(CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCCCC1 ZINC000189595134 527129919 /nfs/dbraw/zinc/12/99/19/527129919.db2.gz YOKCNGLCCJMGFQ-UHFFFAOYSA-N 2 0 326.485 1.272 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCCn1ccnc1)CC[NH+](C)CC2 ZINC000072423821 216213941 /nfs/dbraw/zinc/21/39/41/216213941.db2.gz LGJPWTXYTMMCAN-KRWDZBQOSA-N 2 0 347.507 1.586 50 0 EDAARP O[C@H]1[C@H]([NH+]2CCC3(CC2)OCCO3)c2ccccc2C12CC[NH2+]CC2 ZINC000019770898 212063471 /nfs/dbraw/zinc/06/34/71/212063471.db2.gz KRRPVGCEQRBMKN-MSOLQXFVSA-N 2 0 344.455 1.562 50 0 EDAARP C[NH+](C)Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N2CC[NH2+]CC2)cc1 ZINC000072143310 289224751 /nfs/dbraw/zinc/22/47/51/289224751.db2.gz LAZRPNCGNMNRQR-LJQANCHMSA-N 3 0 344.503 1.707 50 0 EDAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc(C)cn2)CC1 ZINC000070006306 441102311 /nfs/dbraw/zinc/10/23/11/441102311.db2.gz YBHASZSJIGXHTD-KRWDZBQOSA-N 2 0 333.480 1.256 50 0 EDAARP Cc1cc(N2CC[NH+]([C@@H]3CCOC4(CCOCC4)C3)CC2)nc(N)[nH+]1 ZINC000082099211 441331535 /nfs/dbraw/zinc/33/15/35/441331535.db2.gz UQXGAZLMWWOXAJ-OAHLLOKOSA-N 2 0 347.463 1.217 50 0 EDAARP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000042208600 441715038 /nfs/dbraw/zinc/71/50/38/441715038.db2.gz VHBVTVJQZWOHRR-UHFFFAOYSA-N 2 0 346.454 1.522 50 0 EDAARP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077485380 441789877 /nfs/dbraw/zinc/78/98/77/441789877.db2.gz IUKZFLAOYPPSFC-IBGZPJMESA-N 2 0 345.487 1.532 50 0 EDAARP [NH3+][C@@H]1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC000299804062 444138349 /nfs/dbraw/zinc/13/83/49/444138349.db2.gz WAOCHSMILVVXTD-CQSZACIVSA-N 2 0 325.416 1.278 50 0 EDAARP c1nc(NC[C@@H]2CCCO2)ncc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426635583 447484911 /nfs/dbraw/zinc/48/49/11/447484911.db2.gz VVVVEANCYCBMME-INIZCTEOSA-N 2 0 347.463 1.022 50 0 EDAARP CN1CC[NH+](C2(CNC(=O)[C@H]3CC34CC[NH2+]CC4)CCCC2)CC1 ZINC000534644221 448460725 /nfs/dbraw/zinc/46/07/25/448460725.db2.gz QGJFJPSIPRZAIH-MRXNPFEDSA-N 2 0 334.508 1.053 50 0 EDAARP C[NH+](C)Cc1csc(CN2CCC[C@](CO)(C[NH+](C)C)C2)c1 ZINC000215783150 536061233 /nfs/dbraw/zinc/06/12/33/536061233.db2.gz ARQCUGLYHMSRRZ-KRWDZBQOSA-N 2 0 325.522 1.946 50 0 EDAARP C[NH+]1CCC(O)(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000097698655 219049492 /nfs/dbraw/zinc/04/94/92/219049492.db2.gz ZIYYKWWOQGOBSK-UHFFFAOYSA-N 2 0 345.487 1.439 50 0 EDAARP [NH3+]CCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151339 216039900 /nfs/dbraw/zinc/03/99/00/216039900.db2.gz QPXYKUCGZQPTCT-NIKGAXFTSA-N 2 0 343.427 1.153 50 0 EDAARP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000215293039 241117867 /nfs/dbraw/zinc/11/78/67/241117867.db2.gz DHNPMRJGXVRDME-OYRHEFFESA-N 3 0 342.531 1.702 50 0 EDAARP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](CC3CCCC3)CC2)n1 ZINC000220416200 241441651 /nfs/dbraw/zinc/44/16/51/241441651.db2.gz BRWGQZHRPXQYKH-UHFFFAOYSA-N 2 0 330.480 1.576 50 0 EDAARP Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000243885871 243027677 /nfs/dbraw/zinc/02/76/77/243027677.db2.gz ADAQIWFBZXTTBQ-QGZVFWFLSA-N 2 0 330.476 1.612 50 0 EDAARP Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092107788 218121275 /nfs/dbraw/zinc/12/12/75/218121275.db2.gz RRGZTWFXLIBDGY-QZTJIDSGSA-N 2 0 328.460 1.783 50 0 EDAARP COc1ccc([C@H](CN2CC[NH+](C)CC2)NC2CC[NH+](C)CC2)cc1 ZINC000095421499 218363313 /nfs/dbraw/zinc/36/33/13/218363313.db2.gz NSCIKMRAESRMMW-FQEVSTJZSA-N 2 0 346.519 1.668 50 0 EDAARP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000107583621 441420404 /nfs/dbraw/zinc/42/04/04/441420404.db2.gz YTZQMZRBNZMZOW-YYWYGQEZSA-N 2 0 332.492 1.739 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nnc(-c3ccccc3)o2)CC1 ZINC000075131190 441500238 /nfs/dbraw/zinc/50/02/38/441500238.db2.gz CYBHOORQHHCZFU-AWEZNQCLSA-N 2 0 330.432 1.919 50 0 EDAARP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069535446 441969105 /nfs/dbraw/zinc/96/91/05/441969105.db2.gz OMAGLHHFYLQYPG-SFHVURJKSA-N 2 0 337.508 1.823 50 0 EDAARP Cc1ccc(CNC(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000069927501 442078484 /nfs/dbraw/zinc/07/84/84/442078484.db2.gz VZAUQBKQUZTLEB-UHFFFAOYSA-N 2 0 339.505 1.309 50 0 EDAARP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000188546195 442761955 /nfs/dbraw/zinc/76/19/55/442761955.db2.gz RZTOWHCIKDTMIV-OAHLLOKOSA-N 2 0 340.512 1.347 50 0 EDAARP c1nc(N2CC[NH+]3CCC[C@H]3C2)cc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000249293488 442964904 /nfs/dbraw/zinc/96/49/04/442964904.db2.gz LQVNAFFKDGYLOA-HOTGVXAUSA-N 2 0 328.464 1.045 50 0 EDAARP C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000252511304 443038083 /nfs/dbraw/zinc/03/80/83/443038083.db2.gz ZXLUXTARBJKQGA-OAHLLOKOSA-N 2 0 341.544 1.288 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237517677 443175339 /nfs/dbraw/zinc/17/53/39/443175339.db2.gz KMSXDSNQHMHWJI-NJAFHUGGSA-N 2 0 346.475 1.177 50 0 EDAARP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000237876179 443185415 /nfs/dbraw/zinc/18/54/15/443185415.db2.gz ZLGXMBMYLJVKDU-AYHJJNSGSA-N 2 0 335.492 1.478 50 0 EDAARP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662787623 453522608 /nfs/dbraw/zinc/52/26/08/453522608.db2.gz DPFNLUWNQSPIDG-CQSZACIVSA-N 2 0 333.480 1.823 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCN(C)[C@@H](C)C3)cnn2c1 ZINC000067966860 215262100 /nfs/dbraw/zinc/26/21/00/215262100.db2.gz UYHUZSNTRDEHAA-AWEZNQCLSA-N 2 0 344.463 1.347 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000069349790 215383597 /nfs/dbraw/zinc/38/35/97/215383597.db2.gz GURUFRXUWIXIFD-KRWDZBQOSA-N 2 0 347.503 1.706 50 0 EDAARP CN(Cc1cccnc1Cl)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072417900 216206874 /nfs/dbraw/zinc/20/68/74/216206874.db2.gz ULINXGIJDUYWGF-AWEZNQCLSA-N 2 0 336.867 1.767 50 0 EDAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cnc[nH]1)C2 ZINC000072473520 216250635 /nfs/dbraw/zinc/25/06/35/216250635.db2.gz QOMUVWASDJKYNW-QRQLOZEOSA-N 2 0 348.491 1.749 50 0 EDAARP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC[NH+]1CCCC1 ZINC000216213493 241174862 /nfs/dbraw/zinc/17/48/62/241174862.db2.gz ZUFFVOXLNSXIDC-HDICACEKSA-N 2 0 345.487 1.821 50 0 EDAARP Cc1cc(N2CCC([NH2+]CC3(C)COC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095364127 218296425 /nfs/dbraw/zinc/29/64/25/218296425.db2.gz SSQQVEIQLBPPNV-UHFFFAOYSA-N 2 0 345.491 1.980 50 0 EDAARP CCCn1ncc(C[N@@H+]2CCC[C@H](Cn3cc(C[NH3+])nn3)C2)c1C ZINC000082039530 441329870 /nfs/dbraw/zinc/32/98/70/441329870.db2.gz AHPYOZBBDJFTRO-HNNXBMFYSA-N 2 0 331.468 1.564 50 0 EDAARP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccccc1 ZINC000065539907 441455449 /nfs/dbraw/zinc/45/54/49/441455449.db2.gz ZPIOEXHPFIDRHK-UHFFFAOYSA-N 2 0 345.487 1.737 50 0 EDAARP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(OC)cc3)C2)CC1 ZINC000089977314 441608700 /nfs/dbraw/zinc/60/87/00/441608700.db2.gz BEOCGFZMRIBWNL-KRWDZBQOSA-N 2 0 333.476 1.786 50 0 EDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000133604653 442426361 /nfs/dbraw/zinc/42/63/61/442426361.db2.gz YYANOOLEGOZSCY-QGZVFWFLSA-N 2 0 330.476 1.653 50 0 EDAARP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000222203713 443075898 /nfs/dbraw/zinc/07/58/98/443075898.db2.gz GZIIVDPIPMVEGX-ZACQAIPSSA-N 2 0 338.496 1.223 50 0 EDAARP C[C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H]1C[NH3+] ZINC000237432388 443171299 /nfs/dbraw/zinc/17/12/99/443171299.db2.gz ZFGWXWBHSIPTSK-APWZRJJASA-N 2 0 344.503 1.633 50 0 EDAARP COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878137409 597581063 /nfs/dbraw/zinc/58/10/63/597581063.db2.gz URUGODXHJHEIRZ-OAHLLOKOSA-N 2 0 333.476 1.768 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)cnn2c1 ZINC000067880512 215238827 /nfs/dbraw/zinc/23/88/27/215238827.db2.gz CNXCSOFMLPKRQC-ZIAGYGMSSA-N 2 0 330.436 1.181 50 0 EDAARP CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1CO ZINC000091551303 218021121 /nfs/dbraw/zinc/02/11/21/218021121.db2.gz OFHYENMUGJYDSP-RTBURBONSA-N 2 0 331.504 1.188 50 0 EDAARP Cc1nc[nH]c1C[NH+]1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000095373228 218305178 /nfs/dbraw/zinc/30/51/78/218305178.db2.gz GARXECAQSUSXFG-MRXNPFEDSA-N 2 0 345.491 1.627 50 0 EDAARP CC[NH+]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355582322 150323821 /nfs/dbraw/zinc/32/38/21/150323821.db2.gz LARMCIGDSFBZCZ-LJQANCHMSA-N 2 0 344.503 1.357 50 0 EDAARP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951315 441095601 /nfs/dbraw/zinc/09/56/01/441095601.db2.gz KWZPXNSJHBBATG-RDJZCZTQSA-N 2 0 325.497 1.317 50 0 EDAARP Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)nc1N1CCC[C@H]([NH+](C)C)C1 ZINC000107360559 441412631 /nfs/dbraw/zinc/41/26/31/441412631.db2.gz TVIOYQACCORLNZ-DLBZAZTESA-N 2 0 346.523 1.846 50 0 EDAARP O=C(C[NH2+]CC1CC[NH+](CCO)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000089818629 441582251 /nfs/dbraw/zinc/58/22/51/441582251.db2.gz XQTMIRISSBTASP-ZWKOTPCHSA-N 2 0 337.508 1.462 50 0 EDAARP CCC[NH+](CCC)[C@@H](C)C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067834025 441684713 /nfs/dbraw/zinc/68/47/13/441684713.db2.gz MBBVKZRPSNCBJO-KRWDZBQOSA-N 2 0 338.540 1.735 50 0 EDAARP CN(C)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069510431 441958637 /nfs/dbraw/zinc/95/86/37/441958637.db2.gz PLNRKBIBYOYLJX-SFHVURJKSA-N 2 0 333.476 1.452 50 0 EDAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000078914586 441993086 /nfs/dbraw/zinc/99/30/86/441993086.db2.gz QYOFROINLQLLAT-SFHVURJKSA-N 2 0 336.524 1.347 50 0 EDAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCCc1nc2ccccc2n1C ZINC000534648516 448460535 /nfs/dbraw/zinc/46/05/35/448460535.db2.gz PIQFIQOIGITFKO-MRXNPFEDSA-N 2 0 329.492 1.731 50 0 EDAARP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000095993679 529150825 /nfs/dbraw/zinc/15/08/25/529150825.db2.gz BGMRXQIYWXIYHE-AWEZNQCLSA-N 2 0 329.448 1.399 50 0 EDAARP C[C@@H](C(=O)Nc1ccc(F)cc1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000243914678 243031655 /nfs/dbraw/zinc/03/16/55/243031655.db2.gz BJICJTSDDSHLHQ-HNNXBMFYSA-N 2 0 348.466 1.912 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2cccs2)CC1 ZINC000069901460 203061660 /nfs/dbraw/zinc/06/16/60/203061660.db2.gz CUNSOSLTXHGTLT-AWEZNQCLSA-N 2 0 339.505 1.389 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069898297 203061752 /nfs/dbraw/zinc/06/17/52/203061752.db2.gz VPWRXKBHJGFVLW-DOTOQJQBSA-N 2 0 325.497 1.460 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1noc(C)n1)CC[NH+](C)CC2 ZINC000072435928 203224751 /nfs/dbraw/zinc/22/47/51/203224751.db2.gz ZEVPDGQPIUTIEB-HNNXBMFYSA-N 2 0 349.479 1.233 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(C)no1)CC[NH+](C)CC2 ZINC000072447893 203225971 /nfs/dbraw/zinc/22/59/71/203225971.db2.gz MQFLBUUQTBCYBX-MRXNPFEDSA-N 2 0 334.464 1.796 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072430665 203222255 /nfs/dbraw/zinc/22/22/55/203222255.db2.gz IYFBKSWPRUUNRT-QGZVFWFLSA-N 2 0 347.507 1.575 50 0 EDAARP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781217 441370149 /nfs/dbraw/zinc/37/01/49/441370149.db2.gz LOJFWGYZHALMSJ-WMZOPIPTSA-N 2 0 339.524 1.802 50 0 EDAARP CCCC[N@H+](C)CC1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000052210035 441440448 /nfs/dbraw/zinc/44/04/48/441440448.db2.gz BBZHLNFLVZVWMM-UHFFFAOYSA-N 2 0 345.491 1.940 50 0 EDAARP [NH3+]C1(C(=O)NCC[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CCC1 ZINC000067946388 441699783 /nfs/dbraw/zinc/69/97/83/441699783.db2.gz GRMLYOJHIOWCPI-HNNXBMFYSA-N 2 0 331.460 1.992 50 0 EDAARP C[NH+]1CCN(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095368255 441914026 /nfs/dbraw/zinc/91/40/26/441914026.db2.gz KVYMPVDSYVKAMB-IBGZPJMESA-N 2 0 344.503 1.521 50 0 EDAARP O=C(CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000095369657 441914178 /nfs/dbraw/zinc/91/41/78/441914178.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 2 0 342.487 1.015 50 0 EDAARP COc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000069417968 441930814 /nfs/dbraw/zinc/93/08/14/441930814.db2.gz OLWBBZIKOLFHOC-UHFFFAOYSA-N 2 0 344.459 1.879 50 0 EDAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2cc[nH]c2n1 ZINC000095467426 441933097 /nfs/dbraw/zinc/93/30/97/441933097.db2.gz RJNWTQYXTWAFFW-UHFFFAOYSA-N 2 0 331.464 1.909 50 0 EDAARP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000096436390 442129850 /nfs/dbraw/zinc/12/98/50/442129850.db2.gz FBXRACCNJCCJQQ-SJLPKXTDSA-N 2 0 337.508 1.913 50 0 EDAARP C[NH+]1CCN(CCC[NH2+]C(C)(C)c2ccc3c(c2)OCCO3)CC1 ZINC000170071615 442228752 /nfs/dbraw/zinc/22/87/52/442228752.db2.gz IJBOIVBWWYLQRI-UHFFFAOYSA-N 2 0 333.476 1.920 50 0 EDAARP O=S(=O)(c1ccccc1)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000178964018 442539564 /nfs/dbraw/zinc/53/95/64/442539564.db2.gz WCPVVMUIIITTQD-UHFFFAOYSA-N 2 0 337.489 1.383 50 0 EDAARP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187378065 442673135 /nfs/dbraw/zinc/67/31/35/442673135.db2.gz NHJPSOSRNVAWTI-INIZCTEOSA-N 2 0 326.485 1.272 50 0 EDAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC(CC[NH+]3CCCC3)CC2)n1 ZINC000223025813 443084157 /nfs/dbraw/zinc/08/41/57/443084157.db2.gz GFENYSDLZGZKCX-UHFFFAOYSA-N 2 0 344.507 1.966 50 0 EDAARP OCC[N@H+]1CCc2nnc([C@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257185453 443119483 /nfs/dbraw/zinc/11/94/83/443119483.db2.gz JNOPQBABZITGQI-KRWDZBQOSA-N 2 0 341.459 1.118 50 0 EDAARP CSCC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000237305442 443167626 /nfs/dbraw/zinc/16/76/26/443167626.db2.gz ZRWLVXQTBOLTDE-XHSDSOJGSA-N 2 0 342.553 1.084 50 0 EDAARP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000084544258 486266451 /nfs/dbraw/zinc/26/64/51/486266451.db2.gz KHHZXHPRIXSWRG-QZTJIDSGSA-N 2 0 337.508 1.412 50 0 EDAARP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000187225503 534331042 /nfs/dbraw/zinc/33/10/42/534331042.db2.gz HUWMIWXWIKEKLT-KRWDZBQOSA-N 2 0 338.496 1.272 50 0 EDAARP Cn1cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000069490766 203008616 /nfs/dbraw/zinc/00/86/16/203008616.db2.gz MSQJAPVSGWIXSJ-IBGZPJMESA-N 2 0 328.460 1.955 50 0 EDAARP CS(=O)(=O)CC[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069564922 203019704 /nfs/dbraw/zinc/01/97/04/203019704.db2.gz RLKYKJFFDYTBHD-KRWDZBQOSA-N 2 0 340.489 1.066 50 0 EDAARP [NH3+]CCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072157336 203176752 /nfs/dbraw/zinc/17/67/52/203176752.db2.gz QPXYKUCGZQPTCT-GDIGMMSISA-N 2 0 343.427 1.153 50 0 EDAARP COc1ccc(OC)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c1 ZINC000072409301 203217987 /nfs/dbraw/zinc/21/79/87/203217987.db2.gz GOAVESDPLOMSBE-WMLDXEAASA-N 2 0 347.459 1.475 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCC3(C)COC3)C2)CC1 ZINC000012757973 441141209 /nfs/dbraw/zinc/14/12/09/441141209.db2.gz GGGIPPLGBGKSNI-INIZCTEOSA-N 2 0 337.508 1.724 50 0 EDAARP COc1ccc(CC[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1O ZINC000063856875 441358933 /nfs/dbraw/zinc/35/89/33/441358933.db2.gz ORYSNNPAFFQVCR-RTBURBONSA-N 2 0 334.460 1.912 50 0 EDAARP C[C@H]1C[N@H+](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089938983 441600638 /nfs/dbraw/zinc/60/06/38/441600638.db2.gz XLRHNWVAZSVLQL-KRWDZBQOSA-N 2 0 344.503 1.403 50 0 EDAARP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc4nonc4c3)C2)CCCC1 ZINC000067885933 441692974 /nfs/dbraw/zinc/69/29/74/441692974.db2.gz XTMWXKGJIGBWCO-AWEZNQCLSA-N 2 0 343.431 1.432 50 0 EDAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000097141154 442174119 /nfs/dbraw/zinc/17/41/19/442174119.db2.gz XVRHUHRMVUFZNW-QRQLOZEOSA-N 2 0 344.503 1.574 50 0 EDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000261932340 443174836 /nfs/dbraw/zinc/17/48/36/443174836.db2.gz LNRNSIGGWOIFHE-KZNAEPCWSA-N 2 0 348.535 1.393 50 0 EDAARP Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000237678672 443179630 /nfs/dbraw/zinc/17/96/30/443179630.db2.gz FMVQMXSVKCBWBB-CYBMUJFWSA-N 2 0 334.468 1.115 50 0 EDAARP CN1CC[N@H+](CCCNC(=O)[C@@]2(C)CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000408513601 447666671 /nfs/dbraw/zinc/66/66/71/447666671.db2.gz AWQXAIYPNNSEEO-AZUAARDMSA-N 2 0 344.503 1.624 50 0 EDAARP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000685944711 539584608 /nfs/dbraw/zinc/58/46/08/539584608.db2.gz UWUWSPHRUMLUSU-ZDUSSCGKSA-N 2 0 339.443 1.655 50 0 EDAARP C[N@H+](CC1(CO)CCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019535321 202009669 /nfs/dbraw/zinc/00/96/69/202009669.db2.gz KPZFLKURLVJVGY-MSOLQXFVSA-N 2 0 330.472 1.818 50 0 EDAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]C(CC)CC)C[C@H]2C(=O)NC)CC1 ZINC000023338130 202101418 /nfs/dbraw/zinc/10/14/18/202101418.db2.gz ACNARUTVRZKPCX-AEFFLSMTSA-N 2 0 338.540 1.828 50 0 EDAARP CC(C)[NH+]1CCC(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000067843335 441686772 /nfs/dbraw/zinc/68/67/72/441686772.db2.gz NNLFWNYPNLCVBZ-INIZCTEOSA-N 2 0 331.526 1.368 50 0 EDAARP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000097162652 442178130 /nfs/dbraw/zinc/17/81/30/442178130.db2.gz YGBDNNJJTIMCSZ-IBGZPJMESA-N 2 0 343.450 1.881 50 0 EDAARP CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000182513191 442779178 /nfs/dbraw/zinc/77/91/78/442779178.db2.gz MFRBRZRTKUCDMR-MOPGFXCFSA-N 2 0 345.487 1.642 50 0 EDAARP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000247516564 442860074 /nfs/dbraw/zinc/86/00/74/442860074.db2.gz VVTVNNZCMSNXIU-OTWHNJEPSA-N 2 0 343.471 1.630 50 0 EDAARP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000253426147 443065686 /nfs/dbraw/zinc/06/56/86/443065686.db2.gz IXPPVLUIMWVHBC-CIRFHOKZSA-N 2 0 331.460 1.787 50 0 EDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000020912144 202058735 /nfs/dbraw/zinc/05/87/35/202058735.db2.gz RSOJNJWMYQHNEJ-IBGZPJMESA-N 2 0 347.503 1.660 50 0 EDAARP C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000090232069 299272819 /nfs/dbraw/zinc/27/28/19/299272819.db2.gz AOZIISIJDDXDES-ZDUSSCGKSA-N 2 0 329.510 1.263 50 0 EDAARP Nc1nc2c(c(NCCC[NH+]3Cc4ccccc4C3)n1)CC[NH2+]CC2 ZINC000072474194 203230595 /nfs/dbraw/zinc/23/05/95/203230595.db2.gz MVOXEVJDZAIUEH-UHFFFAOYSA-N 2 0 338.459 1.565 50 0 EDAARP O=C(C[NH2+]CC1CC[NH+](CCO)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000089818633 441582130 /nfs/dbraw/zinc/58/21/30/441582130.db2.gz XQTMIRISSBTASP-MSOLQXFVSA-N 2 0 337.508 1.462 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CCC[NH2+]C3)cnn2c1 ZINC000067514843 441648238 /nfs/dbraw/zinc/64/82/38/441648238.db2.gz HZEOUYDVHFCGHP-CQSZACIVSA-N 2 0 330.436 1.053 50 0 EDAARP O=C(NCC1CC[NH+](Cc2cccc(O)c2)CC1)C1CC[NH2+]CC1 ZINC000067786495 441680026 /nfs/dbraw/zinc/68/00/26/441680026.db2.gz VYIKDIVJGWWRJH-UHFFFAOYSA-N 2 0 331.460 1.720 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H](C[NH3+])C3)cnn2c1 ZINC000067742373 441675938 /nfs/dbraw/zinc/67/59/38/441675938.db2.gz QFDSPWFLZYZHJG-AWEZNQCLSA-N 2 0 344.463 1.382 50 0 EDAARP C(CN1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1)N1CCOCC1 ZINC000121579861 441735439 /nfs/dbraw/zinc/73/54/39/441735439.db2.gz NQAVKQAAPBEIDN-QRVBRYPASA-N 2 0 349.519 1.330 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000069329714 441918091 /nfs/dbraw/zinc/91/80/91/441918091.db2.gz CFTZWRFDJYYVQS-GFCCVEGCSA-N 2 0 334.386 1.628 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000069329708 441918411 /nfs/dbraw/zinc/91/84/11/441918411.db2.gz CFTZWRFDJYYVQS-LBPRGKRZSA-N 2 0 334.386 1.628 50 0 EDAARP C[NH+]1CCC(C[NH+]2CCN(c3cc([C@H]4C[C@@H](O)C4)ncn3)CC2)CC1 ZINC000244898817 443217182 /nfs/dbraw/zinc/21/71/82/443217182.db2.gz ZCCJFPOMYOZVCM-CALCHBBNSA-N 2 0 345.491 1.179 50 0 EDAARP COc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1OCC[NH+](C)C ZINC000055108531 202680395 /nfs/dbraw/zinc/68/03/95/202680395.db2.gz VGGYCMJCXCQQSB-QGZVFWFLSA-N 2 0 333.476 1.819 50 0 EDAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(N(C)C)c1 ZINC000069531018 203014613 /nfs/dbraw/zinc/01/46/13/203014613.db2.gz JOXOHJIVOUCTIK-QGZVFWFLSA-N 2 0 347.507 1.636 50 0 EDAARP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000069535422 203015986 /nfs/dbraw/zinc/01/59/86/203015986.db2.gz XCLBNLZEWKUQTM-INIZCTEOSA-N 2 0 331.460 1.775 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069818222 203053955 /nfs/dbraw/zinc/05/39/55/203053955.db2.gz LOJFWGYZHALMSJ-SJLPKXTDSA-N 2 0 339.524 1.802 50 0 EDAARP C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330032851 278256592 /nfs/dbraw/zinc/25/65/92/278256592.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 2 0 336.524 1.393 50 0 EDAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCC3)c2)CC1 ZINC000095503208 441940539 /nfs/dbraw/zinc/94/05/39/441940539.db2.gz KWLOHMXLIFBIAC-GOSISDBHSA-N 2 0 333.476 1.270 50 0 EDAARP Cc1ncc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000096460015 442137824 /nfs/dbraw/zinc/13/78/24/442137824.db2.gz SWKFKKFYQJHTDS-MRXNPFEDSA-N 2 0 327.476 1.906 50 0 EDAARP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000170602204 442234775 /nfs/dbraw/zinc/23/47/75/442234775.db2.gz PDSQLXZLYFCKAE-CABCVRRESA-N 2 0 342.528 1.449 50 0 EDAARP CN(CCC[NH+]1CCCC1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000252527690 443040608 /nfs/dbraw/zinc/04/06/08/443040608.db2.gz DDSUHDGJEVNSBS-GASCZTMLSA-N 2 0 332.496 1.735 50 0 EDAARP C[N@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000221813311 443073797 /nfs/dbraw/zinc/07/37/97/443073797.db2.gz OIPHXCKROXMMBT-MSOLQXFVSA-N 2 0 330.476 1.997 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739102 444128815 /nfs/dbraw/zinc/12/88/15/444128815.db2.gz KMSXDSNQHMHWJI-NXHRZFHOSA-N 2 0 346.475 1.177 50 0 EDAARP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCN1CCOC(C)(C)C1 ZINC000408473976 447664121 /nfs/dbraw/zinc/66/41/21/447664121.db2.gz WGCMXTQGURXZRA-HZPDHXFCSA-N 2 0 346.475 1.381 50 0 EDAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584897192 448668872 /nfs/dbraw/zinc/66/88/72/448668872.db2.gz WHYGZXLAZKUTLP-IRXDYDNUSA-N 2 0 347.463 1.021 50 0 EDAARP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000333316081 535296431 /nfs/dbraw/zinc/29/64/31/535296431.db2.gz SUSHKDGALRMQIP-QGZVFWFLSA-N 2 0 330.476 1.940 50 0 EDAARP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C(=O)NC1CCCCCC1 ZINC000071870942 203133256 /nfs/dbraw/zinc/13/32/56/203133256.db2.gz QGHALACMAIXJLY-HNNXBMFYSA-N 2 0 325.497 1.508 50 0 EDAARP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000175653700 207147329 /nfs/dbraw/zinc/14/73/29/207147329.db2.gz RNUKKZOLKATQHW-INIZCTEOSA-N 2 0 338.496 1.225 50 0 EDAARP Cc1cc(C)n(-c2ccccc2C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000244723974 280436706 /nfs/dbraw/zinc/43/67/06/280436706.db2.gz MLDATEMRMXXMTB-IBGZPJMESA-N 2 0 339.487 1.969 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cnn2c1 ZINC000067842918 441686379 /nfs/dbraw/zinc/68/63/79/441686379.db2.gz VTFYCJNRJMHZPE-GOEBONIOSA-N 2 0 342.447 1.005 50 0 EDAARP CCCCn1ccnc1[C@H]1CCCN(Cc2nc(C(N)=O)no2)C1 ZINC000095356492 441911853 /nfs/dbraw/zinc/91/18/53/441911853.db2.gz IEEQGTUYIMOPNM-LBPRGKRZSA-N 2 0 332.408 1.545 50 0 EDAARP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069535448 441970275 /nfs/dbraw/zinc/97/02/75/441970275.db2.gz OMAGLHHFYLQYPG-GOSISDBHSA-N 2 0 337.508 1.823 50 0 EDAARP CC(C)[NH+]1CCN(c2cc(N3CC[NH+](C(C)C)CC3)ncn2)CC1 ZINC000095946003 441956042 /nfs/dbraw/zinc/95/60/42/441956042.db2.gz CVUJLMYNRCOZST-UHFFFAOYSA-N 2 0 332.496 1.537 50 0 EDAARP CCNC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000240902752 443204221 /nfs/dbraw/zinc/20/42/21/443204221.db2.gz IVECRMZXKBLFQA-HIFRSBDPSA-N 2 0 335.448 1.379 50 0 EDAARP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000071876881 202352313 /nfs/dbraw/zinc/35/23/13/202352313.db2.gz VXGVIFHGWRVZIO-IRXDYDNUSA-N 2 0 333.480 1.128 50 0 EDAARP CC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000225724256 242005317 /nfs/dbraw/zinc/00/53/17/242005317.db2.gz TXSXLCFRNMHYCZ-RBUKOAKNSA-N 2 0 339.524 1.672 50 0 EDAARP C[C@@H](NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1)c1cccs1 ZINC000069927489 203064106 /nfs/dbraw/zinc/06/41/06/203064106.db2.gz FWIBFPDLFNHNMI-CQSZACIVSA-N 2 0 339.505 1.561 50 0 EDAARP Cc1nc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2n1C ZINC000071847794 203128369 /nfs/dbraw/zinc/12/83/69/203128369.db2.gz QWJQGBZVZKYZCN-UHFFFAOYSA-N 2 0 331.464 1.447 50 0 EDAARP C[C@H](C(=O)NCc1cccs1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871554 203133228 /nfs/dbraw/zinc/13/32/28/203133228.db2.gz HDPFCGDHZQGLRH-CQSZACIVSA-N 2 0 339.505 1.389 50 0 EDAARP CCn1nc(CNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c2ccccc21 ZINC000072172425 203180383 /nfs/dbraw/zinc/18/03/83/203180383.db2.gz NQVDBFVIXSFVTE-HNNXBMFYSA-N 2 0 341.459 1.404 50 0 EDAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000072463305 203229033 /nfs/dbraw/zinc/22/90/33/203229033.db2.gz KTQFYQSEUIYUPF-SFHVURJKSA-N 2 0 331.460 1.140 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cnccn1)CC[NH+](C)CC2 ZINC000072406804 203216147 /nfs/dbraw/zinc/21/61/47/203216147.db2.gz NHLTZZRHPIGVFG-KRWDZBQOSA-N 2 0 345.491 1.631 50 0 EDAARP COc1ccccc1CCCNC(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072421783 203220276 /nfs/dbraw/zinc/22/02/76/203220276.db2.gz RHJJVUGRLZNRRF-KRWDZBQOSA-N 2 0 345.487 1.818 50 0 EDAARP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351947 277105207 /nfs/dbraw/zinc/10/52/07/277105207.db2.gz AAWCVMPYNRRZOM-ROUUACIJSA-N 2 0 330.476 1.233 50 0 EDAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)C[C@@H](O)CO)CC1 ZINC000011957151 295359593 /nfs/dbraw/zinc/35/95/93/295359593.db2.gz ZUZKSQLYCJIETH-GOSISDBHSA-N 2 0 336.476 1.235 50 0 EDAARP CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072426657 441230496 /nfs/dbraw/zinc/23/04/96/441230496.db2.gz QYAHAECFMIEZFE-HNNXBMFYSA-N 2 0 347.507 1.740 50 0 EDAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1)N1CCOCC1 ZINC000082097521 441332496 /nfs/dbraw/zinc/33/24/96/441332496.db2.gz SLTBXHPXKHPSJD-GOSISDBHSA-N 2 0 349.519 1.822 50 0 EDAARP [NH3+]CC[C@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CCO1 ZINC000067541173 441650933 /nfs/dbraw/zinc/65/09/33/441650933.db2.gz INVBUMHIAGEZBW-HNNXBMFYSA-N 2 0 339.443 1.343 50 0 EDAARP COCC[NH+]1CCC(C[NH+]2CCN(c3nccnc3C)CC2)CC1 ZINC000067784501 441680078 /nfs/dbraw/zinc/68/00/78/441680078.db2.gz GRUMRRBSNVZOSW-UHFFFAOYSA-N 2 0 333.480 1.265 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000069371389 441924267 /nfs/dbraw/zinc/92/42/67/441924267.db2.gz REUSPSFEWKRQHA-HNNXBMFYSA-N 2 0 329.448 1.450 50 0 EDAARP Nc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C2CC([NH3+])C2)n1 ZINC000222801189 443081707 /nfs/dbraw/zinc/08/17/07/443081707.db2.gz CAIFBFRMACVCDY-GPANFISMSA-N 2 0 338.459 1.950 50 0 EDAARP Cc1cc(NC(=O)CN2CCCN(c3cc[nH+]c(C)c3)CC2)no1 ZINC000244796190 443214603 /nfs/dbraw/zinc/21/46/03/443214603.db2.gz RUOREOFVSPFWCG-UHFFFAOYSA-N 2 0 329.404 1.837 50 0 EDAARP C[C@@H](C1CC[NH+](Cc2cnc(N(C)C)nc2)CC1)[NH+]1CCN(C)CC1 ZINC000077485878 487043506 /nfs/dbraw/zinc/04/35/06/487043506.db2.gz DTPXXYWJUJKAEF-INIZCTEOSA-N 2 0 346.523 1.391 50 0 EDAARP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000084544256 486266626 /nfs/dbraw/zinc/26/66/26/486266626.db2.gz KHHZXHPRIXSWRG-MSOLQXFVSA-N 2 0 337.508 1.412 50 0 EDAARP COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[NH2+]C1)C[NH2+]CCC2 ZINC000888098094 591027623 /nfs/dbraw/zinc/02/76/23/591027623.db2.gz ZFJDDKGPPCXFTG-SNVBAGLBSA-N 2 0 337.445 1.509 50 0 EDAARP C[NH+]1CCN(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000022934687 202095600 /nfs/dbraw/zinc/09/56/00/202095600.db2.gz ILYHDZZBCHCGKC-UHFFFAOYSA-N 2 0 344.503 1.650 50 0 EDAARP c1ccc(C[NH+]2CCN(CCN3CCC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000244659635 243051497 /nfs/dbraw/zinc/05/14/97/243051497.db2.gz HGGMCGWMSMBZLT-NRFANRHFSA-N 2 0 342.531 1.974 50 0 EDAARP Cc1cc(C)n(CCCN(C)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)n1 ZINC000072163845 203178423 /nfs/dbraw/zinc/17/84/23/203178423.db2.gz GFPSJOBJHRQIEW-MRXNPFEDSA-N 2 0 333.480 1.080 50 0 EDAARP C[NH+](C)CC[C@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1ccccc1 ZINC000072447065 203225246 /nfs/dbraw/zinc/22/52/46/203225246.db2.gz QGLHFMSJOAXNBK-INIZCTEOSA-N 2 0 340.475 1.852 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000072428235 203222722 /nfs/dbraw/zinc/22/27/22/203222722.db2.gz STIJXHYONVTZMF-RBUKOAKNSA-N 2 0 345.487 1.736 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000069349809 287086569 /nfs/dbraw/zinc/08/65/69/287086569.db2.gz IOCUMPODUJMXMS-CQSZACIVSA-N 2 0 340.489 1.273 50 0 EDAARP Cc1nc(CC[NH3+])cc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000067895575 293256603 /nfs/dbraw/zinc/25/66/03/293256603.db2.gz YQAYKFJBGUCLEW-OAHLLOKOSA-N 2 0 346.523 1.139 50 0 EDAARP O=C(C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)N1CCCC1 ZINC000072267441 441210199 /nfs/dbraw/zinc/21/01/99/441210199.db2.gz XPGWURWXTDCTDE-IBGZPJMESA-N 2 0 345.487 1.644 50 0 EDAARP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000072280933 441219815 /nfs/dbraw/zinc/21/98/15/441219815.db2.gz RNRPBWFANNYQSM-MRXNPFEDSA-N 2 0 340.512 1.613 50 0 EDAARP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000063871822 441360005 /nfs/dbraw/zinc/36/00/05/441360005.db2.gz ZHYCJFJCXGNXDJ-DOTOQJQBSA-N 2 0 337.489 1.688 50 0 EDAARP CCOC(=O)N1CCC([NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)CC1 ZINC000065434142 441432840 /nfs/dbraw/zinc/43/28/40/441432840.db2.gz SXFHCYIJPBQRGK-UHFFFAOYSA-N 2 0 348.447 1.317 50 0 EDAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000065532739 441453436 /nfs/dbraw/zinc/45/34/36/441453436.db2.gz RFWHOOQIFDFRIL-IUODEOHRSA-N 2 0 327.350 1.473 50 0 EDAARP O=C(C[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000067726256 441674339 /nfs/dbraw/zinc/67/43/39/441674339.db2.gz KBOJMICQJFGXCX-KRWDZBQOSA-N 2 0 331.460 1.816 50 0 EDAARP COc1ccc([C@@H]2CN(C(=O)C(C)(C)[NH3+])[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095391659 441919205 /nfs/dbraw/zinc/91/92/05/441919205.db2.gz FLCSEUXITAMSRT-RCCFBDPRSA-N 2 0 343.471 1.821 50 0 EDAARP C[NH+](C)CCn1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)n1 ZINC000119614584 441943021 /nfs/dbraw/zinc/94/30/21/441943021.db2.gz KWIWNHMARPTJGJ-UHFFFAOYSA-N 2 0 349.479 1.418 50 0 EDAARP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000252586169 443044836 /nfs/dbraw/zinc/04/48/36/443044836.db2.gz NYFNQZMCLCJGAF-WMLDXEAASA-N 2 0 346.475 1.485 50 0 EDAARP Cn1cnnc1Sc1ccc(C[N@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)o1 ZINC000102643532 219217591 /nfs/dbraw/zinc/21/75/91/219217591.db2.gz RCBTXIICBSEJNH-ZSOGYDGISA-N 2 0 333.461 1.799 50 0 EDAARP CC(C)(CN1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1)[NH+]1CCCCC1 ZINC000067833412 215223185 /nfs/dbraw/zinc/22/31/85/215223185.db2.gz BOIOYYOUKRYUTR-INIZCTEOSA-N 2 0 336.524 1.570 50 0 EDAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000072463306 216245923 /nfs/dbraw/zinc/24/59/23/216245923.db2.gz KTQFYQSEUIYUPF-GOSISDBHSA-N 2 0 331.460 1.140 50 0 EDAARP C[C@H](C(=O)NC1CCCCCC1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069923587 289347865 /nfs/dbraw/zinc/34/78/65/289347865.db2.gz OXWSCORAQNTACS-MRXNPFEDSA-N 2 0 339.524 1.850 50 0 EDAARP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000071857235 441170804 /nfs/dbraw/zinc/17/08/04/441170804.db2.gz SPKFYRWNBJULRT-SFHVURJKSA-N 2 0 345.491 1.782 50 0 EDAARP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000065371012 441419532 /nfs/dbraw/zinc/41/95/32/441419532.db2.gz PRQGILKVJPQVJZ-KRWDZBQOSA-N 2 0 337.508 1.700 50 0 EDAARP NC(=O)C1CC[NH+](CCC[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000065516889 441449747 /nfs/dbraw/zinc/44/97/47/441449747.db2.gz XAMSNQORHIYCRV-UHFFFAOYSA-N 2 0 347.488 1.815 50 0 EDAARP C[NH+]1CCC2(CC1)NC(=O)N(C[NH2+]C(C)(C)c1ccc(F)cc1)C2=O ZINC000065553573 441457940 /nfs/dbraw/zinc/45/79/40/441457940.db2.gz LVFLRPJKYRTJBA-UHFFFAOYSA-N 2 0 348.422 1.624 50 0 EDAARP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000192720288 442680450 /nfs/dbraw/zinc/68/04/50/442680450.db2.gz XHUDKLCGWWLOPP-UHFFFAOYSA-N 2 0 346.519 1.930 50 0 EDAARP O=S(=O)(CC[NH+]1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000192621296 442669414 /nfs/dbraw/zinc/66/94/14/442669414.db2.gz LWJBPAGSNLWBRE-MRXNPFEDSA-N 2 0 329.510 1.362 50 0 EDAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000246464866 442783078 /nfs/dbraw/zinc/78/30/78/442783078.db2.gz VDUINFQFCGULGE-IXDOHACOSA-N 2 0 338.496 1.221 50 0 EDAARP C[NH+](C)C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237030155 443156464 /nfs/dbraw/zinc/15/64/64/443156464.db2.gz CGIKSALIUSXTSD-INIZCTEOSA-N 2 0 342.447 1.235 50 0 EDAARP Cc1c(C(=O)N(CC[NH3+])Cc2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000184216546 486678206 /nfs/dbraw/zinc/67/82/06/486678206.db2.gz LMZURFCPIHEHMI-UHFFFAOYSA-N 2 0 342.447 1.112 50 0 EDAARP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC000084017922 486241150 /nfs/dbraw/zinc/24/11/50/486241150.db2.gz ZEQABNPFXIYREW-UHFFFAOYSA-N 2 0 336.443 2.000 50 0 EDAARP COCC[N@@H+]1CCC2(CC[NH+](Cc3[nH]cnc3C)CC2)[C@@H](CO)C1 ZINC000097674327 219045706 /nfs/dbraw/zinc/04/57/06/219045706.db2.gz FCQBLRPGMRTSLO-MRXNPFEDSA-N 2 0 336.480 1.261 50 0 EDAARP CC(C)[NH+]1CCC(C[NH+]2CCC(Cc3nnc(CO)n3C)CC2)CC1 ZINC000055325751 214307637 /nfs/dbraw/zinc/30/76/37/214307637.db2.gz SRLLFMMYBCHHJT-UHFFFAOYSA-N 2 0 349.523 1.682 50 0 EDAARP CCN(Cc1noc(CC(C)C)n1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072154173 216044263 /nfs/dbraw/zinc/04/42/63/216044263.db2.gz OPTUGGGFNRZIKR-CQSZACIVSA-N 2 0 349.479 1.348 50 0 EDAARP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299796619 258100985 /nfs/dbraw/zinc/10/09/85/258100985.db2.gz RLWDUCVHNHELHD-HOTGVXAUSA-N 2 0 333.461 1.747 50 0 EDAARP CC(C)(C)n1cc(C[NH2+]CCCC[NH+]2CCC(C(N)=O)CC2)cn1 ZINC000048711750 441325836 /nfs/dbraw/zinc/32/58/36/441325836.db2.gz FGLOQLGQOXWVTF-UHFFFAOYSA-N 2 0 335.496 1.705 50 0 EDAARP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000089312251 441537571 /nfs/dbraw/zinc/53/75/71/441537571.db2.gz VLWZIGXISQTTJI-UONOGXRCSA-N 2 0 340.493 1.371 50 0 EDAARP C[N@@H+](CC(=O)NC1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069489451 441950238 /nfs/dbraw/zinc/95/02/38/441950238.db2.gz SRBVSKYPYQVVTC-IBGZPJMESA-N 2 0 345.487 1.642 50 0 EDAARP CN1CCC[N@H+](C)CC12CCN(C(=O)Nc1cccc(C[NH3+])c1)CC2 ZINC000097179314 442179282 /nfs/dbraw/zinc/17/92/82/442179282.db2.gz LNFSAXHYYVROCE-UHFFFAOYSA-N 2 0 345.491 1.779 50 0 EDAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCNC2=O)CC1 ZINC000097033202 442157047 /nfs/dbraw/zinc/15/70/47/442157047.db2.gz FEEGJHQDAHBNHR-CJNGLKHVSA-N 2 0 334.439 1.507 50 0 EDAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587317 443044801 /nfs/dbraw/zinc/04/48/01/443044801.db2.gz XLPNKMBUYSNUTG-SLFFLAALSA-N 2 0 329.488 1.819 50 0 EDAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CCOCC4)[C@@H]3C2)cc1 ZINC000215656017 443055844 /nfs/dbraw/zinc/05/58/44/443055844.db2.gz XLPNKMBUYSNUTG-ZCNNSNEGSA-N 2 0 329.488 1.819 50 0 EDAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000670469830 486560687 /nfs/dbraw/zinc/56/06/87/486560687.db2.gz XHSOSDKJEQJRFM-GJZGRUSLSA-N 2 0 325.497 1.769 50 0 EDAARP COCC[NH+]1CCC(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244794575 536858788 /nfs/dbraw/zinc/85/87/88/536858788.db2.gz QPININYUONSGKB-IYBDPMFKSA-N 2 0 333.480 1.476 50 0 EDAARP O=C(c1ccc2c(c1)CC[NH2+]C2)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072429151 216220539 /nfs/dbraw/zinc/22/05/39/216220539.db2.gz XFIBMHJUKQFDPZ-UHFFFAOYSA-N 2 0 343.471 1.394 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1cnccn1)CC[NH+](C)CC2 ZINC000072427829 216218536 /nfs/dbraw/zinc/21/85/36/216218536.db2.gz FESVBQYTOHKRLD-KRWDZBQOSA-N 2 0 345.491 1.332 50 0 EDAARP [NH3+]CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CCO1 ZINC000244673598 243053193 /nfs/dbraw/zinc/05/31/93/243053193.db2.gz HSECJLPANZWLND-GFCCVEGCSA-N 2 0 329.803 1.857 50 0 EDAARP C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000092061874 218111985 /nfs/dbraw/zinc/11/19/85/218111985.db2.gz GMXDHHAAQSJTHB-AWEZNQCLSA-N 2 0 329.452 1.550 50 0 EDAARP CCC[N@@H+]1CCCn2nc(CNC(=O)C3(C)CC[NH2+]CC3)cc2C1 ZINC000082156059 441337805 /nfs/dbraw/zinc/33/78/05/441337805.db2.gz HPUARGZHRQVSTN-UHFFFAOYSA-N 2 0 333.480 1.505 50 0 EDAARP Cn1cc(-c2nc(C[N@H+](C)CC3CC[NH+](CCO)CC3)cs2)cn1 ZINC000075603063 441538616 /nfs/dbraw/zinc/53/86/16/441538616.db2.gz MNWSAKBYWXBVPM-UHFFFAOYSA-N 2 0 349.504 1.680 50 0 EDAARP Cc1cc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)nc(N)[nH+]1 ZINC000067894490 441693927 /nfs/dbraw/zinc/69/39/27/441693927.db2.gz QUNHLBXOEBDRLV-UHFFFAOYSA-N 3 0 344.507 1.802 50 0 EDAARP O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000077425020 441777495 /nfs/dbraw/zinc/77/74/95/441777495.db2.gz VGQLKSKDBTUCJB-QZTJIDSGSA-N 2 0 331.460 1.515 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000069892767 442067519 /nfs/dbraw/zinc/06/75/19/442067519.db2.gz VIQQSGOWEJJTGT-KGLIPLIRSA-N 2 0 339.505 1.608 50 0 EDAARP O=C(C[NH+]1CCCCCCC1)NCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000584887266 448665032 /nfs/dbraw/zinc/66/50/32/448665032.db2.gz LPGHCHOZKRDFOZ-QGZVFWFLSA-N 2 0 325.497 1.463 50 0 EDAARP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C2 ZINC000685940963 539580499 /nfs/dbraw/zinc/58/04/99/539580499.db2.gz MEJBJEZLTDKOKS-VXNCWWDNSA-N 2 0 331.460 1.355 50 0 EDAARP C/C=C(\C)C[NH+]1CCC(CNC(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000067820953 215222234 /nfs/dbraw/zinc/22/22/34/215222234.db2.gz USRJLJVKFMPBSI-HAVNEIBRSA-N 2 0 336.524 1.418 50 0 EDAARP CN1CC[N@H+](C)CC12CC[NH+](Cc1ccccc1OCCO)CC2 ZINC000067919665 215250604 /nfs/dbraw/zinc/25/06/04/215250604.db2.gz ODFGWUYXSUPXEZ-UHFFFAOYSA-N 2 0 333.476 1.270 50 0 EDAARP Cc1cnn(CC2CCN(C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)c1 ZINC000072164500 216052756 /nfs/dbraw/zinc/05/27/56/216052756.db2.gz XOZWCAVUXBNOQU-QGZVFWFLSA-N 2 0 345.491 1.162 50 0 EDAARP CN(Cc1cc2n(n1)CC[NH2+]C2)CC1([NH+]2CCOCC2)CCCCC1 ZINC000072171336 216062807 /nfs/dbraw/zinc/06/28/07/216062807.db2.gz JTDVFQXAQMVOKE-UHFFFAOYSA-N 2 0 347.507 1.453 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCn1ccnc1)CC[NH+](C)CC2 ZINC000072423819 216212791 /nfs/dbraw/zinc/21/27/91/216212791.db2.gz LGJPWTXYTMMCAN-QGZVFWFLSA-N 2 0 347.507 1.586 50 0 EDAARP CCc1nc2c(c(NC[C@H](O)C[NH+]3CCCCCC3)n1)CC[NH2+]CC2 ZINC000072481428 216261919 /nfs/dbraw/zinc/26/19/19/216261919.db2.gz UJQDJTFSPDVLJL-HNNXBMFYSA-N 2 0 347.507 1.376 50 0 EDAARP C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000237591073 139055019 /nfs/dbraw/zinc/05/50/19/139055019.db2.gz IDLVTRWGADLMOH-LJQANCHMSA-N 2 0 331.460 1.259 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000070021951 441105904 /nfs/dbraw/zinc/10/59/04/441105904.db2.gz FGDQZEIQIODHSG-QGZVFWFLSA-N 2 0 325.497 1.414 50 0 EDAARP CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732985 441166492 /nfs/dbraw/zinc/16/64/92/441166492.db2.gz CDCXGTZCSOCKPP-UHFFFAOYSA-N 2 0 337.464 1.042 50 0 EDAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(Cn2cc(CCO)nn2)CC1 ZINC000048306485 441290717 /nfs/dbraw/zinc/29/07/17/441290717.db2.gz IRVJALXIDATVME-UHFFFAOYSA-N 2 0 349.523 1.647 50 0 EDAARP CN(c1ccccc1C[NH2+][C@@H]1CCC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000089375219 441543436 /nfs/dbraw/zinc/54/34/36/441543436.db2.gz ORROYGNLADWPIL-QGZVFWFLSA-N 2 0 344.503 1.927 50 0 EDAARP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccn1-c1cc[nH+]cc1 ZINC000067724489 441673566 /nfs/dbraw/zinc/67/35/66/441673566.db2.gz UPAPNLDPUSVIGP-PBHICJAKSA-N 2 0 327.432 1.299 50 0 EDAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597793 441984968 /nfs/dbraw/zinc/98/49/68/441984968.db2.gz MNVKOJLLLQDGDW-BEFAXECRSA-N 2 0 345.487 1.689 50 0 EDAARP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000120194399 442026984 /nfs/dbraw/zinc/02/69/84/442026984.db2.gz RCZZLTHOFDCWAM-INIZCTEOSA-N 2 0 348.495 1.784 50 0 EDAARP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(-c2cnn(C)c2)cs1 ZINC000252537698 443041963 /nfs/dbraw/zinc/04/19/63/443041963.db2.gz MBDZQLSPNFXGAN-AWEZNQCLSA-N 2 0 337.493 1.990 50 0 EDAARP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000252586168 443044270 /nfs/dbraw/zinc/04/42/70/443044270.db2.gz NYFNQZMCLCJGAF-RHSMWYFYSA-N 2 0 346.475 1.485 50 0 EDAARP CCn1c(CN(C)C)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102572584 219211478 /nfs/dbraw/zinc/21/14/78/219211478.db2.gz LAKWYYDJEWRQDV-ZSHCYNCHSA-N 2 0 332.496 1.004 50 0 EDAARP COc1ccc2cc(C[NH+]3CCC(O)(C[NH+](C)C)CC3)c(=O)[nH]c2c1 ZINC000067833506 215224032 /nfs/dbraw/zinc/22/40/32/215224032.db2.gz WWHXZZGTFICPLZ-UHFFFAOYSA-N 2 0 345.443 1.425 50 0 EDAARP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3([NH3+])CCC3)C2)c(C)c1 ZINC000067981960 215267314 /nfs/dbraw/zinc/26/73/14/215267314.db2.gz WGRWWLOMWPPOFV-OAHLLOKOSA-N 2 0 331.460 1.823 50 0 EDAARP Cc1cc(N2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)cc(C)[nH+]1 ZINC000072436167 216230434 /nfs/dbraw/zinc/23/04/34/216230434.db2.gz RNKHDDRZBPQBSW-UHFFFAOYSA-N 2 0 338.459 1.503 50 0 EDAARP C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000241588505 249303926 /nfs/dbraw/zinc/30/39/26/249303926.db2.gz PDSQLXZLYFCKAE-HUUCEWRRSA-N 2 0 342.528 1.449 50 0 EDAARP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000187927572 533485389 /nfs/dbraw/zinc/48/53/89/533485389.db2.gz MNCAHYWAZQIPAJ-OTWHNJEPSA-N 2 0 345.487 1.953 50 0 EDAARP O=C(NCCc1ccc(O)cc1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065469541 441440642 /nfs/dbraw/zinc/44/06/42/441440642.db2.gz WOORLTZEYZOPMG-OXQOHEQNSA-N 2 0 343.471 1.515 50 0 EDAARP C[N@@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000095508064 441942342 /nfs/dbraw/zinc/94/23/42/441942342.db2.gz HYOZBFORGINEDJ-LJQANCHMSA-N 2 0 347.503 1.516 50 0 EDAARP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000097164312 442177864 /nfs/dbraw/zinc/17/78/64/442177864.db2.gz LZRDGHDOXRVXKN-SJORKVTESA-N 2 0 345.491 1.986 50 0 EDAARP c1nc(N2CC[NH+]3CCC[C@@H]3C2)cc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000185379689 443192300 /nfs/dbraw/zinc/19/23/00/443192300.db2.gz LQVNAFFKDGYLOA-HZPDHXFCSA-N 2 0 328.464 1.045 50 0 EDAARP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+](C)CCc2ccccc2)C1 ZINC000426478985 447453111 /nfs/dbraw/zinc/45/31/11/447453111.db2.gz QLGPRLPMJHBTQO-SFHVURJKSA-N 2 0 332.492 1.754 50 0 EDAARP CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)[N@H+](C)C1 ZINC000685942449 539582277 /nfs/dbraw/zinc/58/22/77/539582277.db2.gz QIVUNDROSZVZMA-GJZGRUSLSA-N 2 0 349.479 1.010 50 0 EDAARP CC1(C)CC([N@@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)CC(C)(C)[NH2+]1 ZINC000067965543 215262952 /nfs/dbraw/zinc/26/29/52/215262952.db2.gz CBLKDYKUOOBMFO-CQSZACIVSA-N 2 0 345.491 1.838 50 0 EDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccnc(-c3ccccc3)n2)CC1 ZINC000069370657 215391075 /nfs/dbraw/zinc/39/10/75/215391075.db2.gz AEFABSOTJJYURP-UHFFFAOYSA-N 2 0 326.444 1.938 50 0 EDAARP CC(C)(CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000072167459 216057327 /nfs/dbraw/zinc/05/73/27/216057327.db2.gz TYIPMEUIQULKFC-QGZVFWFLSA-N 2 0 331.460 1.318 50 0 EDAARP C[N@@H+]1CC[C@H](CNc2ncnc3c2CC[NH+](C2CCOCC2)CC3)C1 ZINC000072411518 216203531 /nfs/dbraw/zinc/20/35/31/216203531.db2.gz KKKFRPXWUKZAMJ-OAHLLOKOSA-N 2 0 345.491 1.420 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccccn1)CC[NH+](C)CC2 ZINC000072425425 216216289 /nfs/dbraw/zinc/21/62/89/216216289.db2.gz YDBFUZWCVUAHLY-SFHVURJKSA-N 2 0 344.503 1.937 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nnc(C)o1)CC[NH+](C)CC2 ZINC000072456624 216243191 /nfs/dbraw/zinc/24/31/91/216243191.db2.gz MHLLCLXCEITLTO-HNNXBMFYSA-N 2 0 349.479 1.533 50 0 EDAARP Cn1c(CO)nnc1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000244633070 243046658 /nfs/dbraw/zinc/04/66/58/243046658.db2.gz FVXDONNRCALXTJ-OTVXOJSOSA-N 2 0 333.480 1.550 50 0 EDAARP COc1ccc(CN2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc1F ZINC000237298541 139046890 /nfs/dbraw/zinc/04/68/90/139046890.db2.gz DESQPGRTPUCPRR-UHFFFAOYSA-N 2 0 335.423 1.478 50 0 EDAARP COCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095390634 218322423 /nfs/dbraw/zinc/32/24/23/218322423.db2.gz SOOSVCCXYMKVFZ-MRXNPFEDSA-N 2 0 349.475 1.576 50 0 EDAARP Cc1ccc(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)cc1OCCC[NH3+] ZINC000426414410 254491287 /nfs/dbraw/zinc/49/12/87/254491287.db2.gz OXJVNKPKVZQWOY-OSYLJGHBSA-N 2 0 331.460 1.602 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H](C[NH3+])C3)cnn2c1 ZINC000067742371 279139077 /nfs/dbraw/zinc/13/90/77/279139077.db2.gz QFDSPWFLZYZHJG-CQSZACIVSA-N 2 0 344.463 1.382 50 0 EDAARP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000071909041 441192728 /nfs/dbraw/zinc/19/27/28/441192728.db2.gz COZDHFKPKHNAFI-GOSISDBHSA-N 2 0 330.476 1.727 50 0 EDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)c1nn2cc(C)nc2s1 ZINC000072296154 441224812 /nfs/dbraw/zinc/22/48/12/441224812.db2.gz NZIRSEBDMVOHDX-AWEZNQCLSA-N 2 0 336.509 1.952 50 0 EDAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@@H](C)[NH+]3CCCC3)cc2C1 ZINC000082108852 441333278 /nfs/dbraw/zinc/33/32/78/441333278.db2.gz JIQXBEDJBNCGHE-MRXNPFEDSA-N 2 0 347.507 1.845 50 0 EDAARP C[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067956087 441700348 /nfs/dbraw/zinc/70/03/48/441700348.db2.gz PMDDDNFDDIUZSN-CQSZACIVSA-N 3 0 338.540 1.732 50 0 EDAARP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237382127 443169635 /nfs/dbraw/zinc/16/96/35/443169635.db2.gz LJEZGWHLMMVPCA-QZTJIDSGSA-N 2 0 344.503 1.927 50 0 EDAARP Cc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1OCCC[NH3+] ZINC000426473626 447450775 /nfs/dbraw/zinc/45/07/75/447450775.db2.gz PQEBIOWTLFJENQ-IRXDYDNUSA-N 2 0 347.459 1.004 50 0 EDAARP O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000102143897 219187043 /nfs/dbraw/zinc/18/70/43/219187043.db2.gz IZENQFDUJSQECN-PIIMJCKOSA-N 2 0 343.475 1.113 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000069349900 215383520 /nfs/dbraw/zinc/38/35/20/215383520.db2.gz NLYDKFOPLFTZHA-OAHLLOKOSA-N 2 0 329.448 1.450 50 0 EDAARP CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072154172 216043429 /nfs/dbraw/zinc/04/34/29/216043429.db2.gz OPTUGGGFNRZIKR-AWEZNQCLSA-N 2 0 349.479 1.348 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnn(C)c3C3CC3)CC[C@H]21 ZINC000072428912 216221010 /nfs/dbraw/zinc/22/10/10/216221010.db2.gz HVSNZUHLAMLXKM-DOTOQJQBSA-N 2 0 345.491 1.330 50 0 EDAARP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@](C)(O)CN2CCOCC2)C1 ZINC000230089575 242229392 /nfs/dbraw/zinc/22/93/92/242229392.db2.gz ZXMRLUCFMUHXBO-YZGWKJHDSA-N 2 0 347.503 1.495 50 0 EDAARP C[NH+](C)CCCOc1cccc(CN2CC[N@H+](C)[C@@H](CCO)C2)c1 ZINC000020998364 212197639 /nfs/dbraw/zinc/19/76/39/212197639.db2.gz QJRHQDYACRFWPZ-SFHVURJKSA-N 2 0 335.492 1.516 50 0 EDAARP CSc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095354982 218288467 /nfs/dbraw/zinc/28/84/67/218288467.db2.gz LLQUFFGPVGFMKF-QZTJIDSGSA-N 2 0 349.544 1.696 50 0 EDAARP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047106282 441156124 /nfs/dbraw/zinc/15/61/24/441156124.db2.gz VVWPUOZZRVYSFL-IAGOWNOFSA-N 2 0 329.448 1.540 50 0 EDAARP OCC[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000069436412 441935103 /nfs/dbraw/zinc/93/51/03/441935103.db2.gz GXQWGKXTXLUHGP-UHFFFAOYSA-N 2 0 332.423 1.805 50 0 EDAARP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000097164311 442177503 /nfs/dbraw/zinc/17/75/03/442177503.db2.gz LZRDGHDOXRVXKN-IRXDYDNUSA-N 2 0 345.491 1.986 50 0 EDAARP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccnc(C)c2)CC1=O ZINC000195530214 443029593 /nfs/dbraw/zinc/02/95/93/443029593.db2.gz DUPXHTQKKDPCOK-GOEBONIOSA-N 2 0 330.432 1.661 50 0 EDAARP [NH3+][C@H]1C[C@@H](c2nnc(C[NH2+]CCCc3cccnc3)n2C2CC2)C1 ZINC000252519057 443041244 /nfs/dbraw/zinc/04/12/44/443041244.db2.gz AVLXKFBGOGXSLH-GASCZTMLSA-N 2 0 326.448 1.935 50 0 EDAARP C[NH+](C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccs1 ZINC000237204540 443164049 /nfs/dbraw/zinc/16/40/49/443164049.db2.gz VYSXQXIYMRVHBL-CQSZACIVSA-N 2 0 348.476 1.297 50 0 EDAARP CN1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)CC12CC[NH2+]CC2 ZINC000534676758 448465133 /nfs/dbraw/zinc/46/51/33/448465133.db2.gz ZKISKRSRSMYRPM-UHFFFAOYSA-N 2 0 340.471 1.788 50 0 EDAARP CC[C@@H](O)C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639503143 451909822 /nfs/dbraw/zinc/90/98/22/451909822.db2.gz BNEVFIUJSSUDBN-WOJBJXKFSA-N 2 0 347.503 1.012 50 0 EDAARP Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958328 214109980 /nfs/dbraw/zinc/10/99/80/214109980.db2.gz XUYNIIFKOPJYRB-LJQANCHMSA-N 2 0 348.487 1.779 50 0 EDAARP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C2 ZINC000685940964 539580207 /nfs/dbraw/zinc/58/02/07/539580207.db2.gz MEJBJEZLTDKOKS-YWTNHNAXSA-N 2 0 331.460 1.355 50 0 EDAARP CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000067895275 215243418 /nfs/dbraw/zinc/24/34/18/215243418.db2.gz QGQGDXBNTHVNOH-OALUTQOASA-N 2 0 344.503 1.089 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC([NH2+]C)CC3)cnn2c1 ZINC000067920262 215249887 /nfs/dbraw/zinc/24/98/87/215249887.db2.gz RYRYYPWVFMZQRN-UHFFFAOYSA-N 2 0 344.463 1.395 50 0 EDAARP O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1CC[NH2+]CC1 ZINC000067956038 215259469 /nfs/dbraw/zinc/25/94/69/215259469.db2.gz HIWDXUZNLIOVEB-HXUWFJFHSA-N 2 0 345.487 1.314 50 0 EDAARP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](Cc4nccn4C)C3)C2=O)cn1 ZINC000104320969 219373770 /nfs/dbraw/zinc/37/37/70/219373770.db2.gz WQNINEUDOUXFFB-GOEBONIOSA-N 2 0 342.447 1.214 50 0 EDAARP C[C@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000096437090 278138891 /nfs/dbraw/zinc/13/88/91/278138891.db2.gz DZTIYQJGAKMYJT-QGZVFWFLSA-N 2 0 337.508 1.964 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nnc(-c3ccccc3)o2)CC1 ZINC000075131193 441499795 /nfs/dbraw/zinc/49/97/95/441499795.db2.gz CYBHOORQHHCZFU-CQSZACIVSA-N 2 0 330.432 1.919 50 0 EDAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000091270192 441691020 /nfs/dbraw/zinc/69/10/20/441691020.db2.gz NRENNTFXSYGEAV-UHFFFAOYSA-N 2 0 346.523 1.685 50 0 EDAARP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077485378 441789328 /nfs/dbraw/zinc/78/93/28/441789328.db2.gz IUKZFLAOYPPSFC-LJQANCHMSA-N 2 0 345.487 1.532 50 0 EDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000069414665 441928583 /nfs/dbraw/zinc/92/85/83/441928583.db2.gz QSWUXCQNULCSEK-UHFFFAOYSA-N 2 0 333.411 1.200 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000069739706 442026956 /nfs/dbraw/zinc/02/69/56/442026956.db2.gz UQRJBIDZBLAEKG-OLZOCXBDSA-N 2 0 340.493 1.495 50 0 EDAARP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000247516558 442859660 /nfs/dbraw/zinc/85/96/60/442859660.db2.gz VVTVNNZCMSNXIU-IPMKNSEASA-N 2 0 343.471 1.630 50 0 EDAARP COc1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1OCCC[NH3+] ZINC000426478952 447452971 /nfs/dbraw/zinc/45/29/71/447452971.db2.gz NWDWNRQODBBHPW-CQSZACIVSA-N 2 0 335.448 1.589 50 0 EDAARP Cc1cc(N2CC[NH+](Cc3cccc(OCC(N)=O)c3)CC2)cc[nH+]1 ZINC000097679945 219047164 /nfs/dbraw/zinc/04/71/64/219047164.db2.gz LVNXGGMPYSDJKQ-UHFFFAOYSA-N 2 0 340.427 1.576 50 0 EDAARP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncnc3OC)C2)[C@H]1C(C)C ZINC000685940970 539580440 /nfs/dbraw/zinc/58/04/40/539580440.db2.gz MKGOGGCBHBFXMW-KONPQCLYSA-N 2 0 334.464 1.445 50 0 EDAARP CC(C)([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072143720 216029558 /nfs/dbraw/zinc/02/95/58/216029558.db2.gz YBKLEASYDQFEAI-GVDBMIGSSA-N 2 0 331.435 1.952 50 0 EDAARP CC(C)(CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000072167460 216056784 /nfs/dbraw/zinc/05/67/84/216056784.db2.gz TYIPMEUIQULKFC-KRWDZBQOSA-N 2 0 331.460 1.318 50 0 EDAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000072422107 216209757 /nfs/dbraw/zinc/20/97/57/216209757.db2.gz UXDBXSQCKIWIKR-MAUKXSAKSA-N 2 0 326.444 1.940 50 0 EDAARP C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091351209 217997342 /nfs/dbraw/zinc/99/73/42/217997342.db2.gz MFCQMODMQIZQHI-IBGZPJMESA-N 2 0 328.460 1.995 50 0 EDAARP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237470188 257945285 /nfs/dbraw/zinc/94/52/85/257945285.db2.gz HIROHUCDNSRHJF-SJORKVTESA-N 2 0 330.476 1.537 50 0 EDAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000299796488 258101008 /nfs/dbraw/zinc/10/10/08/258101008.db2.gz OUEXSVDXOPKSMQ-ZFWWWQNUSA-N 2 0 341.839 1.126 50 0 EDAARP CCCC[N@@H+]1CCn2nc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2C1 ZINC000299801899 258105002 /nfs/dbraw/zinc/10/50/02/258105002.db2.gz QRDMVFVHBRRQLE-KRWDZBQOSA-N 2 0 345.491 1.505 50 0 EDAARP Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000069624583 281695593 /nfs/dbraw/zinc/69/55/93/281695593.db2.gz VPPNJAHIVZQRNO-CABCVRRESA-N 2 0 333.480 1.474 50 0 EDAARP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000333424648 297532311 /nfs/dbraw/zinc/53/23/11/297532311.db2.gz TTZIWILQGJELQW-JQHSSLGASA-N 2 0 330.476 1.940 50 0 EDAARP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000106519122 441349190 /nfs/dbraw/zinc/34/91/90/441349190.db2.gz KBCFGHJDFUENKT-OALUTQOASA-N 2 0 343.471 1.875 50 0 EDAARP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781214 441370368 /nfs/dbraw/zinc/37/03/68/441370368.db2.gz LOJFWGYZHALMSJ-FUHWJXTLSA-N 2 0 339.524 1.802 50 0 EDAARP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)on1 ZINC000106781256 441370686 /nfs/dbraw/zinc/37/06/86/441370686.db2.gz DCTCNAJYDLOMPG-UONOGXRCSA-N 2 0 338.452 1.335 50 0 EDAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)CCO2 ZINC000069665832 442007686 /nfs/dbraw/zinc/00/76/86/442007686.db2.gz RKQNNKYURCEYSQ-UHFFFAOYSA-N 2 0 333.476 1.967 50 0 EDAARP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000187747986 442690458 /nfs/dbraw/zinc/69/04/58/442690458.db2.gz FHSUONQDRIZMHZ-HZPDHXFCSA-N 2 0 340.512 1.205 50 0 EDAARP C[C@H](C(=O)N1CCCC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000252467359 443024100 /nfs/dbraw/zinc/02/41/00/443024100.db2.gz FUDGXAFJNHQGQV-BRWVUGGUSA-N 2 0 337.508 1.819 50 0 EDAARP C[NH+](C)Cc1cccc(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)c1 ZINC000252549909 443042729 /nfs/dbraw/zinc/04/27/29/443042729.db2.gz RWUXFCVQVZZQGW-GASCZTMLSA-N 2 0 327.432 1.971 50 0 EDAARP CN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000237081634 443158055 /nfs/dbraw/zinc/15/80/55/443158055.db2.gz YZNWQNQSYMTMPP-QGZVFWFLSA-N 2 0 331.460 1.872 50 0 EDAARP COCCn1c(C[NH2+]C2Cc3ccccc3C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244852488 443215690 /nfs/dbraw/zinc/21/56/90/443215690.db2.gz UTIYKOFZXIZJER-IYBDPMFKSA-N 2 0 341.459 1.386 50 0 EDAARP CCn1c(CN2CC[NH+](C3CCCCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244700910 535982596 /nfs/dbraw/zinc/98/25/96/535982596.db2.gz JWDFDWHCXSHGND-WKILWMFISA-N 2 0 346.523 1.953 50 0 EDAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Cn3cc(CCO)nn3)C2)CC1 ZINC000055384437 214315590 /nfs/dbraw/zinc/31/55/90/214315590.db2.gz PDNAYQGOEUHVAJ-MRXNPFEDSA-N 2 0 335.496 1.399 50 0 EDAARP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C2 ZINC000685940961 539580138 /nfs/dbraw/zinc/58/01/38/539580138.db2.gz MEJBJEZLTDKOKS-MTNOOBJLSA-N 2 0 331.460 1.355 50 0 EDAARP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)on1 ZINC000072447438 216238065 /nfs/dbraw/zinc/23/80/65/216238065.db2.gz UCVHZKYZJIJKJU-FUHWJXTLSA-N 2 0 346.475 1.796 50 0 EDAARP c1nc2c(c(N3CCC([NH+]4CCSCC4)CC3)n1)CC[NH2+]CC2 ZINC000072463337 216245064 /nfs/dbraw/zinc/24/50/64/216245064.db2.gz BHDLCTREWXYKDD-UHFFFAOYSA-N 2 0 333.505 1.182 50 0 EDAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1)N1CCOCC1 ZINC000082127711 296106815 /nfs/dbraw/zinc/10/68/15/296106815.db2.gz BASDYCHIQBLOHY-KRWDZBQOSA-N 2 0 349.519 1.964 50 0 EDAARP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)CC2)c1 ZINC000091518772 218016195 /nfs/dbraw/zinc/01/61/95/218016195.db2.gz SISGKAJZSOJZCB-IRXDYDNUSA-N 2 0 348.466 1.323 50 0 EDAARP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c(C)c1 ZINC000091965951 218095843 /nfs/dbraw/zinc/09/58/43/218095843.db2.gz HPPQZSARRHXZGN-NHCUHLMSSA-N 2 0 345.531 1.981 50 0 EDAARP Cc1cc(C)n(CCC[NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000095363913 218296440 /nfs/dbraw/zinc/29/64/40/218296440.db2.gz QQCYQHYVJFZICJ-UHFFFAOYSA-N 2 0 343.479 1.829 50 0 EDAARP [NH3+]C1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000299803804 258105861 /nfs/dbraw/zinc/10/58/61/258105861.db2.gz DSSWCPCUSGCGSA-UHFFFAOYSA-N 2 0 339.443 1.668 50 0 EDAARP C[NH+](C)CCCOc1cccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097532540 441140472 /nfs/dbraw/zinc/14/04/72/441140472.db2.gz NXVQRYBTINDBEX-LJQANCHMSA-N 2 0 346.519 1.497 50 0 EDAARP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C(=O)N1CCc2ccccc2C1 ZINC000072267438 441210600 /nfs/dbraw/zinc/21/06/00/441210600.db2.gz BSEWKPIJCKQWID-INIZCTEOSA-N 2 0 345.487 1.254 50 0 EDAARP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000082137375 441337130 /nfs/dbraw/zinc/33/71/30/441337130.db2.gz ISYYYNKVCBNLAE-LJQANCHMSA-N 2 0 345.487 1.736 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000069739705 442027443 /nfs/dbraw/zinc/02/74/43/442027443.db2.gz UQRJBIDZBLAEKG-STQMWFEESA-N 2 0 340.493 1.495 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000069351293 215385919 /nfs/dbraw/zinc/38/59/19/215385919.db2.gz CNIKWQLGWMZTCP-OAHLLOKOSA-N 2 0 329.448 1.450 50 0 EDAARP CC(=O)N1CCC[N@@H+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000023379728 212372063 /nfs/dbraw/zinc/37/20/63/212372063.db2.gz OCUBHDVUTLWAGB-MOPGFXCFSA-N 2 0 343.471 1.278 50 0 EDAARP OC[C@@]1(O)CC[N@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000216505601 241199501 /nfs/dbraw/zinc/19/95/01/241199501.db2.gz NNCSUKLYYDQIQL-HXUWFJFHSA-N 2 0 348.487 1.871 50 0 EDAARP CC(C)N1CC[C@@H]([NH+]2CCC(OCC[NH+]3CCCCC3)CC2)C1=O ZINC000095406267 218341958 /nfs/dbraw/zinc/34/19/58/218341958.db2.gz RZAQWOJAXJQKMH-GOSISDBHSA-N 2 0 337.508 1.963 50 0 EDAARP COCC1(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000262114318 139252078 /nfs/dbraw/zinc/25/20/78/139252078.db2.gz BIQHKZFKNLSWQU-SJORKVTESA-N 2 0 331.460 1.204 50 0 EDAARP CC[NH+]1CCN(CCOc2ccc(CN3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000215646954 285316808 /nfs/dbraw/zinc/31/68/08/285316808.db2.gz LGHLTVAPNMOCGQ-LJQANCHMSA-N 2 0 346.519 1.626 50 0 EDAARP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1F ZINC000065534395 289136344 /nfs/dbraw/zinc/13/63/44/289136344.db2.gz VKPBYXXFBMPBDF-UHFFFAOYSA-N 2 0 335.420 1.079 50 0 EDAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)C[C@H](O)CO)CC1 ZINC000011957156 441125352 /nfs/dbraw/zinc/12/53/52/441125352.db2.gz ZUZKSQLYCJIETH-SFHVURJKSA-N 2 0 336.476 1.235 50 0 EDAARP C[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000101386086 441155660 /nfs/dbraw/zinc/15/56/60/441155660.db2.gz NLLONOREDMOJFD-GOSISDBHSA-N 2 0 328.460 1.774 50 0 EDAARP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000133542698 442423226 /nfs/dbraw/zinc/42/32/26/442423226.db2.gz MFGKXYHVNHHEGK-WMLDXEAASA-N 2 0 348.466 1.897 50 0 EDAARP c1ccc(N2CC[NH+](CCN3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000252478799 443026219 /nfs/dbraw/zinc/02/62/19/443026219.db2.gz AVGHRFIEHRUQIP-HXUWFJFHSA-N 2 0 328.504 1.884 50 0 EDAARP O=C(NCCC[NH+]1CCC(O)CC1)C1([NH+]2CCCC2)CCCCC1 ZINC000670450035 486531963 /nfs/dbraw/zinc/53/19/63/486531963.db2.gz WZEQDPPOTJGEQP-UHFFFAOYSA-N 2 0 337.508 1.748 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1c(C)n[nH]c1C)CC[NH+](C)CC2 ZINC000072426525 216217703 /nfs/dbraw/zinc/21/77/03/216217703.db2.gz KHXSHTLYNPYDSY-QGZVFWFLSA-N 2 0 347.507 1.839 50 0 EDAARP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000072478342 216256354 /nfs/dbraw/zinc/25/63/54/216256354.db2.gz MEWACDJVUQDTDO-RBUKOAKNSA-N 2 0 345.487 1.865 50 0 EDAARP COc1ccc(C[NH+]2CCC(CNC(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000408525427 250303864 /nfs/dbraw/zinc/30/38/64/250303864.db2.gz XKRRBHVVWXXVHN-IBGZPJMESA-N 2 0 349.450 1.725 50 0 EDAARP C[N@H+](C[C@H](O)c1ccc(F)cc1F)CC1CC[NH+](CCO)CC1 ZINC000069974317 258063710 /nfs/dbraw/zinc/06/37/10/258063710.db2.gz ZCFCWMUSZTWHSP-KRWDZBQOSA-N 2 0 328.403 1.634 50 0 EDAARP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000013633961 278625470 /nfs/dbraw/zinc/62/54/70/278625470.db2.gz GHOXPNHJKBCMRF-ZBFHGGJFSA-N 2 0 342.447 1.436 50 0 EDAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000077504415 295240702 /nfs/dbraw/zinc/24/07/02/295240702.db2.gz JPCFZULKIKIGAQ-HXUWFJFHSA-N 2 0 345.487 1.385 50 0 EDAARP CN(C)C(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069510440 441958943 /nfs/dbraw/zinc/95/89/43/441958943.db2.gz ZLRQBMGUWXDZED-IBGZPJMESA-N 2 0 347.503 1.842 50 0 EDAARP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069818223 442049078 /nfs/dbraw/zinc/04/90/78/442049078.db2.gz LOJFWGYZHALMSJ-AEFFLSMTSA-N 2 0 339.524 1.802 50 0 EDAARP C[C@@]1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC[NH2+]1 ZINC000181011265 442674134 /nfs/dbraw/zinc/67/41/34/442674134.db2.gz AKEDYKZDOOPUOK-SFHVURJKSA-N 2 0 337.508 1.918 50 0 EDAARP O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192735767 442682118 /nfs/dbraw/zinc/68/21/18/442682118.db2.gz JEXRVTRLSMPWBY-MRXNPFEDSA-N 2 0 329.510 1.266 50 0 EDAARP OCC[N@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257185456 443119872 /nfs/dbraw/zinc/11/98/72/443119872.db2.gz JNOPQBABZITGQI-QGZVFWFLSA-N 2 0 341.459 1.118 50 0 EDAARP COCCN(c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1)C1CC[NH+](C)CC1 ZINC000067489874 215153275 /nfs/dbraw/zinc/15/32/75/215153275.db2.gz ICMHFAUXVMXASB-MRXNPFEDSA-N 2 0 347.507 1.799 50 0 EDAARP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccn1-c1cc[nH+]cc1 ZINC000067676870 215183493 /nfs/dbraw/zinc/18/34/93/215183493.db2.gz UPAPNLDPUSVIGP-YOEHRIQHSA-N 2 0 327.432 1.299 50 0 EDAARP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000067690992 215186082 /nfs/dbraw/zinc/18/60/82/215186082.db2.gz ZYLLFSUJACQPJI-GOSISDBHSA-N 2 0 330.476 1.752 50 0 EDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCCO)Cc1cccs1 ZINC000072157844 216046680 /nfs/dbraw/zinc/04/66/80/216046680.db2.gz XTVPFXCBVMQGIA-OAHLLOKOSA-N 2 0 337.489 1.191 50 0 EDAARP Cc1ccc2[nH]c(CN(C)C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)nc2c1 ZINC000072168686 216059200 /nfs/dbraw/zinc/05/92/00/216059200.db2.gz PIOXNTCRESOLDB-MRXNPFEDSA-N 2 0 341.459 1.561 50 0 EDAARP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000072280443 216107857 /nfs/dbraw/zinc/10/78/57/216107857.db2.gz HNWLRUXGCRTFOM-IBGZPJMESA-N 2 0 344.503 1.405 50 0 EDAARP [NH3+]Cc1cn(C2CC[NH+](Cc3cccn3-c3ncccn3)CC2)nn1 ZINC000023478458 212379549 /nfs/dbraw/zinc/37/95/49/212379549.db2.gz DHOUOJWDHGHNIP-UHFFFAOYSA-N 2 0 338.419 1.155 50 0 EDAARP CN(CCC[NH+]1CCCCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244700834 243059545 /nfs/dbraw/zinc/05/95/45/243059545.db2.gz JUXFMZOSKMMHIO-GASCZTMLSA-N 2 0 332.496 1.966 50 0 EDAARP C[C@@H](C(=O)Nc1ccccn1)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000244787651 243080909 /nfs/dbraw/zinc/08/09/09/243080909.db2.gz QAUWWLDKKDLCIF-HNNXBMFYSA-N 2 0 331.464 1.168 50 0 EDAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000019334644 212017104 /nfs/dbraw/zinc/01/71/04/212017104.db2.gz UHTPUKZQZTTWQS-FQEVSTJZSA-N 2 0 331.504 1.958 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccon3)C2)CC1 ZINC000011816586 211250459 /nfs/dbraw/zinc/25/04/59/211250459.db2.gz ZLNSEJKBUNSALF-HNNXBMFYSA-N 2 0 334.464 1.876 50 0 EDAARP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000119396443 221311804 /nfs/dbraw/zinc/31/18/04/221311804.db2.gz NYFNQZMCLCJGAF-YOEHRIQHSA-N 2 0 346.475 1.485 50 0 EDAARP O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000299796559 258101044 /nfs/dbraw/zinc/10/10/44/258101044.db2.gz OAGQPTKDURVCPQ-INIZCTEOSA-N 2 0 331.460 1.863 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cncn3C(C)C)CC[C@H]21 ZINC000072423413 277023993 /nfs/dbraw/zinc/02/39/93/277023993.db2.gz HBVCLUVTRQQDPP-DOTOQJQBSA-N 2 0 333.480 1.496 50 0 EDAARP CN1CCC[N@H+](C[C@H]2COc3ccccc3O2)CC12CC[NH2+]CC2 ZINC000252479586 277051953 /nfs/dbraw/zinc/05/19/53/277051953.db2.gz BICQLPCXTHLZKW-INIZCTEOSA-N 2 0 331.460 1.586 50 0 EDAARP [NH3+]CCc1nc2ccccc2c(NCCC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000065383754 441421840 /nfs/dbraw/zinc/42/18/40/441421840.db2.gz ZFGZYRNWWLOFHQ-HNNXBMFYSA-N 2 0 343.475 1.637 50 0 EDAARP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(C(=O)OC)C2)CC1 ZINC000088735332 441518156 /nfs/dbraw/zinc/51/81/56/441518156.db2.gz JXYCRSDKLRVIQT-KRWDZBQOSA-N 2 0 346.475 1.759 50 0 EDAARP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000090581893 441637057 /nfs/dbraw/zinc/63/70/57/441637057.db2.gz YTAFLBJJILSQGS-TZMCWYRMSA-N 2 0 345.534 1.655 50 0 EDAARP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000069706762 442019156 /nfs/dbraw/zinc/01/91/56/442019156.db2.gz AKKNGPIBEYLNCI-ZWKOTPCHSA-N 2 0 327.513 1.122 50 0 EDAARP C[NH+](C)CC[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000584899285 448670992 /nfs/dbraw/zinc/67/09/92/448670992.db2.gz JHYVUNCNDWWXQY-QGZVFWFLSA-N 2 0 348.491 1.435 50 0 EDAARP C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[N@H+](C)C1CCCCC1 ZINC000584898186 448671032 /nfs/dbraw/zinc/67/10/32/448671032.db2.gz IDNFWNOLRNGURZ-OAHLLOKOSA-N 2 0 325.497 1.555 50 0 EDAARP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000685944710 539584709 /nfs/dbraw/zinc/58/47/09/539584709.db2.gz UWUWSPHRUMLUSU-CYBMUJFWSA-N 2 0 339.443 1.655 50 0 EDAARP Cc1nc(CC[NH3+])cc(N2CCC[N@H+](Cc3ccncc3)CC2)n1 ZINC000067884776 215240669 /nfs/dbraw/zinc/24/06/69/215240669.db2.gz AEISRPBKTFLTMY-UHFFFAOYSA-N 2 0 326.448 1.394 50 0 EDAARP [NH3+][C@H]1C[C@H](c2cc(N3CC[NH+](C4CCSCC4)CC3)ncn2)C1 ZINC000244794871 243084676 /nfs/dbraw/zinc/08/46/76/243084676.db2.gz QVKCWNLTFZFJTJ-HDJSIYSDSA-N 2 0 333.505 1.699 50 0 EDAARP CC[N@H+](C[C@H](O)CO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012199050 211318411 /nfs/dbraw/zinc/31/84/11/211318411.db2.gz BYFSZLZFBQIJBE-FQEVSTJZSA-N 2 0 334.504 1.925 50 0 EDAARP COc1cccc(N2CCC([N@@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000091694981 218049761 /nfs/dbraw/zinc/04/97/61/218049761.db2.gz WSDTVPFLMOQLHB-JXFKEZNVSA-N 2 0 345.487 1.710 50 0 EDAARP O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097463529 219025525 /nfs/dbraw/zinc/02/55/25/219025525.db2.gz IVBXTBIZRLKYLI-OAHLLOKOSA-N 2 0 335.448 1.310 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccncn3)C2)CC1 ZINC000071763454 441152635 /nfs/dbraw/zinc/15/26/35/441152635.db2.gz CIZOEAABRMTGOW-INIZCTEOSA-N 2 0 345.491 1.678 50 0 EDAARP CC(C)[NH+]1CCC([NH+]2CCC(n3cc(C[C@H](C)O)nn3)CC2)CC1 ZINC000048464987 441307812 /nfs/dbraw/zinc/30/78/12/441307812.db2.gz YEKOITHHHKOELA-HNNXBMFYSA-N 2 0 335.496 1.711 50 0 EDAARP CN(c1ccccc1C[NH2+]CC1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC000089375222 441543489 /nfs/dbraw/zinc/54/34/89/441543489.db2.gz WOMAXCOBIKQDET-UHFFFAOYSA-N 2 0 347.503 1.848 50 0 EDAARP Cc1nc2c(c(N3CCC[C@]4(CCC[N@@H+](C)C4)C3)n1)CC[NH2+]CC2 ZINC000067842696 441686704 /nfs/dbraw/zinc/68/67/04/441686704.db2.gz ZPHBMBSPYPPVGS-IBGZPJMESA-N 2 0 329.492 1.785 50 0 EDAARP C[C@H](NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1)c1cccs1 ZINC000069927486 442078594 /nfs/dbraw/zinc/07/85/94/442078594.db2.gz FWIBFPDLFNHNMI-AWEZNQCLSA-N 2 0 339.505 1.561 50 0 EDAARP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000242284643 443209871 /nfs/dbraw/zinc/20/98/71/443209871.db2.gz YILINKHRZPMOMY-RBUKOAKNSA-N 2 0 345.487 1.327 50 0 EDAARP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000067690988 215186205 /nfs/dbraw/zinc/18/62/05/215186205.db2.gz ZYLLFSUJACQPJI-SFHVURJKSA-N 2 0 330.476 1.752 50 0 EDAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCN(c2ccccc2)CC1 ZINC000072161974 216050180 /nfs/dbraw/zinc/05/01/80/216050180.db2.gz MEAOVPGLUVUZHB-QGZVFWFLSA-N 2 0 328.460 1.067 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C)no1)CC[NH+](C)CC2 ZINC000072425080 216214355 /nfs/dbraw/zinc/21/43/55/216214355.db2.gz CDMXLZHDCYOENL-OAHLLOKOSA-N 2 0 349.479 1.533 50 0 EDAARP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)ccc1F ZINC000072478387 216257336 /nfs/dbraw/zinc/25/73/36/216257336.db2.gz IYWQMBWQWGUDJM-GOEBONIOSA-N 2 0 335.423 1.606 50 0 EDAARP C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000328597472 258041973 /nfs/dbraw/zinc/04/19/73/258041973.db2.gz HQSBNALXNFAAFD-QAPCUYQASA-N 2 0 331.460 1.637 50 0 EDAARP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009289522 441104256 /nfs/dbraw/zinc/10/42/56/441104256.db2.gz GHOXPNHJKBCMRF-GDBMZVCRSA-N 2 0 342.447 1.436 50 0 EDAARP CCC[N@@H+]1CCCn2nc(CNC(=O)C[NH+](C)C3CCCC3)cc2C1 ZINC000082092772 441331295 /nfs/dbraw/zinc/33/12/95/441331295.db2.gz AVMMQDIMHAJVIZ-UHFFFAOYSA-N 2 0 347.507 1.989 50 0 EDAARP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000075133206 441500884 /nfs/dbraw/zinc/50/08/84/441500884.db2.gz OYSLXMUIXCJKND-FUHWJXTLSA-N 2 0 341.459 1.252 50 0 EDAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCC3)c2)CC1 ZINC000095503207 441940746 /nfs/dbraw/zinc/94/07/46/441940746.db2.gz KWLOHMXLIFBIAC-SFHVURJKSA-N 2 0 333.476 1.270 50 0 EDAARP C[NH+](C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccs1 ZINC000237153280 443161034 /nfs/dbraw/zinc/16/10/34/443161034.db2.gz VYSXQXIYMRVHBL-AWEZNQCLSA-N 2 0 348.476 1.297 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305824 711399706 /nfs/dbraw/zinc/39/97/06/711399706.db2.gz VVQZCNUHFCNALB-HNNXBMFYSA-N 2 0 333.480 1.611 50 0 EDAARP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000120194256 282115588 /nfs/dbraw/zinc/11/55/88/282115588.db2.gz RCZZLTHOFDCWAM-MRXNPFEDSA-N 2 0 348.495 1.784 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cnn2c1 ZINC000067804502 215216097 /nfs/dbraw/zinc/21/60/97/215216097.db2.gz AUTZTIJCZZDOKH-GASCZTMLSA-N 2 0 342.447 1.148 50 0 EDAARP CC1CC[NH+](C[C@@H](O)CN2CC[NH+](C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000069776627 215576753 /nfs/dbraw/zinc/57/67/53/215576753.db2.gz UWQLVHOFPRUKKO-MSOLQXFVSA-N 2 0 341.540 1.104 50 0 EDAARP CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072170487 216062002 /nfs/dbraw/zinc/06/20/02/216062002.db2.gz RCCGTEGCVHBXLU-KRWDZBQOSA-N 2 0 344.434 1.997 50 0 EDAARP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)cn1 ZINC000072468190 216248080 /nfs/dbraw/zinc/24/80/80/216248080.db2.gz YJQYIDUGFOVHMA-ZWKOTPCHSA-N 2 0 345.491 1.233 50 0 EDAARP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000299798146 258101770 /nfs/dbraw/zinc/10/17/70/258101770.db2.gz QOLFZBSCZGLKBO-LJQANCHMSA-N 2 0 345.487 1.667 50 0 EDAARP CCCC[N@@H+]1CCn2nc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2C1 ZINC000299801906 258104861 /nfs/dbraw/zinc/10/48/61/258104861.db2.gz QRDMVFVHBRRQLE-QGZVFWFLSA-N 2 0 345.491 1.505 50 0 EDAARP CC(=O)N1CCC(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000070040921 441108592 /nfs/dbraw/zinc/10/85/92/441108592.db2.gz MVVPBZTXGQPJOS-OAHLLOKOSA-N 2 0 325.497 1.270 50 0 EDAARP c1cncc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@@H]5C4)n2)CC[NH2+]C3)c1 ZINC000071661348 441149036 /nfs/dbraw/zinc/14/90/36/441149036.db2.gz XSTPWYPFBJDEDY-OAHLLOKOSA-N 2 0 336.443 1.469 50 0 EDAARP [NH3+]CC[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CCO1 ZINC000067541171 441650417 /nfs/dbraw/zinc/65/04/17/441650417.db2.gz INVBUMHIAGEZBW-OAHLLOKOSA-N 2 0 339.443 1.343 50 0 EDAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587318 443044606 /nfs/dbraw/zinc/04/46/06/443044606.db2.gz XLPNKMBUYSNUTG-UFYCRDLUSA-N 2 0 329.488 1.819 50 0 EDAARP CCCn1[nH]ccc1=NC(=O)CN1CCC[C@H](Cc2nccn2C)C1 ZINC000255280674 443091536 /nfs/dbraw/zinc/09/15/36/443091536.db2.gz BDPGPYPHFQRFLY-OAHLLOKOSA-N 2 0 344.463 1.342 50 0 EDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237607503 443177127 /nfs/dbraw/zinc/17/71/27/443177127.db2.gz LNRNSIGGWOIFHE-KSZLIROESA-N 2 0 348.535 1.393 50 0 EDAARP C[C@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H]1C[NH3+] ZINC000237643069 443178741 /nfs/dbraw/zinc/17/87/41/443178741.db2.gz ZFGWXWBHSIPTSK-QFBILLFUSA-N 2 0 344.503 1.633 50 0 EDAARP Cc1cc(C)c(OCCNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c(C)c1 ZINC000072152533 216040679 /nfs/dbraw/zinc/04/06/79/216040679.db2.gz PIUWKOOGAQOVDV-KRWDZBQOSA-N 2 0 345.487 1.839 50 0 EDAARP C[NH+]1CCC(C(=O)NC[C@]2(O)CCC[NH2+]CC2)(c2ccccc2)CC1 ZINC000072155872 216045896 /nfs/dbraw/zinc/04/58/96/216045896.db2.gz KDXUDQXEHSHRCP-IBGZPJMESA-N 2 0 345.487 1.271 50 0 EDAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)N2CCc3ccccc32)CC1 ZINC000072157099 216046732 /nfs/dbraw/zinc/04/67/32/216046732.db2.gz NGTCQFHSURLUAY-LJQANCHMSA-N 2 0 331.460 1.354 50 0 EDAARP Cc1nc(CNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)nc2c1CCCC2 ZINC000072162897 216052011 /nfs/dbraw/zinc/05/20/11/216052011.db2.gz MFGLUIGXZUBSPD-MRXNPFEDSA-N 2 0 343.475 1.012 50 0 EDAARP Nc1nc2c(c(NC[C@@H](c3ccco3)[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC000072424972 216214705 /nfs/dbraw/zinc/21/47/05/216214705.db2.gz HRWRTLIZQGVVNP-HNNXBMFYSA-N 2 0 342.447 1.589 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072430666 216224083 /nfs/dbraw/zinc/22/40/83/216224083.db2.gz IYFBKSWPRUUNRT-KRWDZBQOSA-N 2 0 347.507 1.575 50 0 EDAARP CCc1c(C)[nH+]c(N)nc1N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000095362274 218295038 /nfs/dbraw/zinc/29/50/38/218295038.db2.gz HYKCIMDPPPXNHR-HNNXBMFYSA-N 2 0 332.496 1.393 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCn3cccn3)C2)CC1 ZINC000012573382 441136035 /nfs/dbraw/zinc/13/60/35/441136035.db2.gz LSGKONXUYTYSFH-KRWDZBQOSA-N 2 0 347.507 1.584 50 0 EDAARP C[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000071857236 441170906 /nfs/dbraw/zinc/17/09/06/441170906.db2.gz APQLUCPLPVWTFU-UHFFFAOYSA-N 2 0 345.491 1.687 50 0 EDAARP O=C(NCc1ccoc1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000065403582 441426495 /nfs/dbraw/zinc/42/64/95/441426495.db2.gz HPQVVKUQDMPLAY-IEBWSBKVSA-N 2 0 325.412 1.617 50 0 EDAARP C[N@@H+](CC(=O)N1CCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069815404 442049283 /nfs/dbraw/zinc/04/92/83/442049283.db2.gz HKSVHHYJHIZTAB-IBGZPJMESA-N 2 0 345.487 1.596 50 0 EDAARP CON(C)C(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170616865 442236994 /nfs/dbraw/zinc/23/69/94/442236994.db2.gz DVBNUXSOIUAQDA-HZPDHXFCSA-N 2 0 341.496 1.608 50 0 EDAARP C[NH+](C)CC[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000584899284 448670866 /nfs/dbraw/zinc/67/08/66/448670866.db2.gz JHYVUNCNDWWXQY-KRWDZBQOSA-N 2 0 348.491 1.435 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CCC[N@H+](C)C3)cnn2c1 ZINC000067490862 215154899 /nfs/dbraw/zinc/15/48/99/215154899.db2.gz OAYUXGKNKGBWAR-OAHLLOKOSA-N 2 0 344.463 1.395 50 0 EDAARP Cc1ccccc1CN(CCO)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072134499 216023825 /nfs/dbraw/zinc/02/38/25/216023825.db2.gz PABVZNNRQGHOLJ-QGZVFWFLSA-N 2 0 331.460 1.048 50 0 EDAARP Cc1cccc2nc(C[N@H+]3CCC[C@](O)(C[NH+](C)C)CC3)cc(=O)n12 ZINC000072165263 216053667 /nfs/dbraw/zinc/05/36/67/216053667.db2.gz DXHVOYULILZQGM-LJQANCHMSA-N 2 0 344.459 1.282 50 0 EDAARP C[N@@H+]1CC2(C[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH2+]CC2 ZINC000072410350 216203142 /nfs/dbraw/zinc/20/31/42/216203142.db2.gz UENJZTZEAXBZGD-SFHVURJKSA-N 2 0 343.471 1.957 50 0 EDAARP Cn1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)c1C1CC1 ZINC000072439904 216233589 /nfs/dbraw/zinc/23/35/89/216233589.db2.gz ZRWMVZTVPGTGIR-DOTOQJQBSA-N 2 0 345.491 1.459 50 0 EDAARP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000239667625 296068996 /nfs/dbraw/zinc/06/89/96/296068996.db2.gz BQXJDMYOSMYYED-FJIDUMEYSA-N 2 0 335.492 1.478 50 0 EDAARP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCOC[C@@H]1C ZINC000230120254 242233358 /nfs/dbraw/zinc/23/33/58/242233358.db2.gz OOJSZCNCMDSDBU-QXSJWSMHSA-N 2 0 326.485 1.268 50 0 EDAARP c1cncc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@H]5C4)n2)CC[NH2+]C3)c1 ZINC000230189837 242245388 /nfs/dbraw/zinc/24/53/88/242245388.db2.gz XSTPWYPFBJDEDY-HNNXBMFYSA-N 2 0 336.443 1.469 50 0 EDAARP C[N@H+](CCOC[C@H]1CCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095400876 218335351 /nfs/dbraw/zinc/33/53/51/218335351.db2.gz QJKDFPKACDGZPI-GOSISDBHSA-N 2 0 326.481 1.757 50 0 EDAARP C[NH+]1CCN(c2nnc(N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000000137162 290059929 /nfs/dbraw/zinc/05/99/29/290059929.db2.gz BAZVXJVWCPUEGU-UHFFFAOYSA-N 2 0 326.448 1.133 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nc(-c3cccnc3)no2)CC1 ZINC000069949936 441094803 /nfs/dbraw/zinc/09/48/03/441094803.db2.gz ODUOVFRRLWIUJX-ZDUSSCGKSA-N 2 0 331.420 1.314 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CC(=O)NCc2ccccc2F)CC1 ZINC000071870970 441176871 /nfs/dbraw/zinc/17/68/71/441176871.db2.gz BRLBKQUCIYEIQC-AWEZNQCLSA-N 2 0 337.439 1.124 50 0 EDAARP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058356806 441185199 /nfs/dbraw/zinc/18/51/99/441185199.db2.gz JSDCQISHDXGMJL-HNNXBMFYSA-N 2 0 329.448 1.655 50 0 EDAARP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)o1 ZINC000071819600 441159194 /nfs/dbraw/zinc/15/91/94/441159194.db2.gz KKQCSZAYEMMOOK-UHFFFAOYSA-N 2 0 345.447 1.655 50 0 EDAARP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000065499366 441446426 /nfs/dbraw/zinc/44/64/26/441446426.db2.gz VVTVNNZCMSNXIU-GUDVDZBRSA-N 2 0 343.471 1.630 50 0 EDAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000078914581 441993034 /nfs/dbraw/zinc/99/30/34/441993034.db2.gz QYOFROINLQLLAT-GOSISDBHSA-N 2 0 336.524 1.347 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000069892764 442068524 /nfs/dbraw/zinc/06/85/24/442068524.db2.gz VIQQSGOWEJJTGT-KBPBESRZSA-N 2 0 339.505 1.608 50 0 EDAARP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000096487013 442141657 /nfs/dbraw/zinc/14/16/57/442141657.db2.gz RKRWISZLPPQKMZ-GDBMZVCRSA-N 2 0 325.522 1.899 50 0 EDAARP C[N@H+](CCOc1cccc(CNC2=[NH+]CCN2)c1)C1CCOCC1 ZINC000252481816 443027284 /nfs/dbraw/zinc/02/72/84/443027284.db2.gz CTAUAZQJOMXLLQ-UHFFFAOYSA-N 2 0 332.448 1.225 50 0 EDAARP Nc1nc(N2CCN(c3cc[nH+]cc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000222718205 443081579 /nfs/dbraw/zinc/08/15/79/443081579.db2.gz UZKMNYVNEVZNRI-UHFFFAOYSA-N 2 0 326.404 1.019 50 0 EDAARP CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000229559470 443129839 /nfs/dbraw/zinc/12/98/39/443129839.db2.gz MLUVOYVBPGDUSI-GBESFXJTSA-N 2 0 337.508 1.555 50 0 EDAARP C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237666465 443178424 /nfs/dbraw/zinc/17/84/24/443178424.db2.gz BMIZEZBNEAOXAV-SJLPKXTDSA-N 2 0 331.460 1.345 50 0 EDAARP CN(C)C(=O)NCc1cc2n(n1)CCC[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244574783 443212641 /nfs/dbraw/zinc/21/26/41/443212641.db2.gz CRJZBGUFHIOFJJ-GASCZTMLSA-N 2 0 348.495 1.378 50 0 EDAARP COc1ccc(-n2cccn2)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000426634279 447483064 /nfs/dbraw/zinc/48/30/64/447483064.db2.gz NIARBIFYRRMYMU-UHFFFAOYSA-N 2 0 342.443 1.835 50 0 EDAARP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121897506 490999870 /nfs/dbraw/zinc/99/98/70/490999870.db2.gz BTGZHGHWPZPEFI-SFHVURJKSA-N 2 0 337.508 1.558 50 0 EDAARP CS(=O)(=O)NC1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067879885 215238505 /nfs/dbraw/zinc/23/85/05/215238505.db2.gz IAQFUSPMKSNOMK-UHFFFAOYSA-N 2 0 329.510 1.312 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCn1ccc(C)n1)CC[NH+](C)CC2 ZINC000072469479 283317177 /nfs/dbraw/zinc/31/71/77/283317177.db2.gz QCDZAQUESVGVDG-QGZVFWFLSA-N 2 0 347.507 1.504 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccccn1)CC[NH+](C)CC2 ZINC000072425424 216215809 /nfs/dbraw/zinc/21/58/09/216215809.db2.gz YDBFUZWCVUAHLY-GOSISDBHSA-N 2 0 344.503 1.937 50 0 EDAARP [NH3+]Cc1cn(C2CC[NH+](Cc3ccc(C(F)(F)F)nc3)CC2)nn1 ZINC000023398700 212375063 /nfs/dbraw/zinc/37/50/63/212375063.db2.gz ZQPYRKKXWYVIFV-UHFFFAOYSA-N 2 0 340.353 1.988 50 0 EDAARP [NH3+][C@H]1C[C@H](c2cc(N3CCC([NH+]4CCC(O)CC4)CC3)ncn2)C1 ZINC000252527436 243846720 /nfs/dbraw/zinc/84/67/20/243846720.db2.gz COMQMQYBUHUJSZ-HDJSIYSDSA-N 2 0 331.464 1.107 50 0 EDAARP O=C(C[NH+]1CCC2(CC[NH2+]C[C@H]2CO)CC1)NCCc1ccccc1 ZINC000097499616 219030413 /nfs/dbraw/zinc/03/04/13/219030413.db2.gz KWPDKCPXXPSVGA-SFHVURJKSA-N 2 0 345.487 1.029 50 0 EDAARP Nc1ncnc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000302831236 258016766 /nfs/dbraw/zinc/01/67/66/258016766.db2.gz LBUHFQIGJRAOPD-QWHCGFSZSA-N 2 0 333.823 1.760 50 0 EDAARP O=C(NC1CC1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000071870947 441176581 /nfs/dbraw/zinc/17/65/81/441176581.db2.gz ZDTMPLCTTYWVPE-SFHVURJKSA-N 2 0 349.450 1.439 50 0 EDAARP C[NH+](C)CCN(C[C@H]1CCCO1)c1cc(C2CC[NH+](C)CC2)ncn1 ZINC000063848371 441357975 /nfs/dbraw/zinc/35/79/75/441357975.db2.gz USTNXCGEMFDYJB-QGZVFWFLSA-N 2 0 347.507 1.833 50 0 EDAARP O=C(c1ccc(OCCC[NH+]2CCCCC2)cc1)N1CC[NH2+]CC1 ZINC000034093724 441598829 /nfs/dbraw/zinc/59/88/29/441598829.db2.gz DNXMPQYULGRSIC-UHFFFAOYSA-N 2 0 331.460 1.987 50 0 EDAARP C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000097095281 442166325 /nfs/dbraw/zinc/16/63/25/442166325.db2.gz APOTXYFRFZVBNI-RBUKOAKNSA-N 2 0 345.487 1.601 50 0 EDAARP Cc1nccn1-c1ncccc1CNC(=O)N1CCN(C2CC2)CC1 ZINC000195529989 443029223 /nfs/dbraw/zinc/02/92/23/443029223.db2.gz GYSQQAWVSMLSMG-UHFFFAOYSA-N 2 0 340.431 1.565 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000069582591 215484313 /nfs/dbraw/zinc/48/43/13/215484313.db2.gz UWGWRHIFLQLROU-PXAZEXFGSA-N 2 0 328.403 1.681 50 0 EDAARP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)cc2)CC1 ZINC000091619945 218032422 /nfs/dbraw/zinc/03/24/22/218032422.db2.gz YVGBQPDXAGBOIE-MOPGFXCFSA-N 2 0 342.487 1.243 50 0 EDAARP C[NH+]1CCN(C[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000091724561 218053287 /nfs/dbraw/zinc/05/32/87/218053287.db2.gz JOXUFMXSDMBTQF-CJIROOEOSA-N 2 0 347.478 1.627 50 0 EDAARP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299770958 258083692 /nfs/dbraw/zinc/08/36/92/258083692.db2.gz TVDXFSGVPIFSMH-HOTGVXAUSA-N 2 0 333.461 1.747 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)cnn2c1 ZINC000067563307 279139030 /nfs/dbraw/zinc/13/90/30/279139030.db2.gz FQBOPPWWPCGEJZ-OAHLLOKOSA-N 2 0 344.463 1.347 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCn3cccn3)C2)CC1 ZINC000012573366 441136096 /nfs/dbraw/zinc/13/60/96/441136096.db2.gz LSGKONXUYTYSFH-QGZVFWFLSA-N 2 0 347.507 1.584 50 0 EDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000069415284 441929162 /nfs/dbraw/zinc/92/91/62/441929162.db2.gz LNXJJCYZVNDBNT-UHFFFAOYSA-N 2 0 333.476 1.317 50 0 EDAARP CC1CC[NH+](C[C@H](O)CN2CC[NH+](C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000069776625 442037387 /nfs/dbraw/zinc/03/73/87/442037387.db2.gz UWQLVHOFPRUKKO-ROUUACIJSA-N 2 0 341.540 1.104 50 0 EDAARP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000069897166 442069077 /nfs/dbraw/zinc/06/90/77/442069077.db2.gz DCTCNAJYDLOMPG-KGLIPLIRSA-N 2 0 338.452 1.335 50 0 EDAARP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188061640 442706768 /nfs/dbraw/zinc/70/67/68/442706768.db2.gz HZRCYKZOIFCQDJ-CRAIPNDOSA-N 2 0 331.460 1.523 50 0 EDAARP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000261766292 443169405 /nfs/dbraw/zinc/16/94/05/443169405.db2.gz OLCSXRIODKVDLI-VQTJNVASSA-N 2 0 335.451 1.942 50 0 EDAARP C[NH+]1CCC(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)CC1 ZINC000230194760 536340445 /nfs/dbraw/zinc/34/04/45/536340445.db2.gz SJRFQKQFDCDCFZ-HXUWFJFHSA-N 2 0 348.535 1.489 50 0 EDAARP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000097732682 219052409 /nfs/dbraw/zinc/05/24/09/219052409.db2.gz TVCZGYZXFUQZFQ-IAGOWNOFSA-N 2 0 332.448 1.169 50 0 EDAARP O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102654561 219219325 /nfs/dbraw/zinc/21/93/25/219219325.db2.gz NEOALQIEEMETGL-XABWRGDLSA-N 2 0 326.444 1.083 50 0 EDAARP [NH3+]C1(C(=O)NCC[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CCC1 ZINC000067946386 215255855 /nfs/dbraw/zinc/25/58/55/215255855.db2.gz GRMLYOJHIOWCPI-OAHLLOKOSA-N 2 0 331.460 1.992 50 0 EDAARP Cc1nc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c[nH]1 ZINC000039371854 213234929 /nfs/dbraw/zinc/23/49/29/213234929.db2.gz DHFIXOOLZTZKDY-GOSISDBHSA-N 2 0 332.423 1.926 50 0 EDAARP O=C(C[NH+]1CCCCC1)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC000071278593 215749443 /nfs/dbraw/zinc/74/94/43/215749443.db2.gz SKQPNWFIOLYHKD-UHFFFAOYSA-N 2 0 330.476 1.896 50 0 EDAARP c1c(CN2CCC[N@H+](Cc3ccccn3)CC2)nn2c1C[NH2+]CCC2 ZINC000072125626 216017123 /nfs/dbraw/zinc/01/71/23/216017123.db2.gz YQNKTIAKAQERPW-UHFFFAOYSA-N 2 0 340.475 1.479 50 0 EDAARP O=C(NCc1coc(-c2ccccc2)n1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072154606 216043483 /nfs/dbraw/zinc/04/34/83/216043483.db2.gz INESEAOLHLRGEL-MRXNPFEDSA-N 2 0 340.427 1.690 50 0 EDAARP Cc1nc(CNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)nc2c1CCCC2 ZINC000072162896 216052227 /nfs/dbraw/zinc/05/22/27/216052227.db2.gz MFGLUIGXZUBSPD-INIZCTEOSA-N 2 0 343.475 1.012 50 0 EDAARP OCC[NH+]1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019868437 212077742 /nfs/dbraw/zinc/07/77/42/212077742.db2.gz ADTWFDIPAKVGOL-UHFFFAOYSA-N 2 0 331.504 1.694 50 0 EDAARP CC(C)C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000012030532 211281900 /nfs/dbraw/zinc/28/19/00/211281900.db2.gz XGRITQFTUIMCDO-SFHVURJKSA-N 2 0 336.476 1.629 50 0 EDAARP OC[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091452754 218009042 /nfs/dbraw/zinc/00/90/42/218009042.db2.gz YSPMOAZJJVXORJ-WOJBJXKFSA-N 2 0 344.499 1.398 50 0 EDAARP COc1ccc(C(=O)NCC[NH+]2CCCCCC2)c(OCC[NH3+])c1 ZINC000426392735 254490593 /nfs/dbraw/zinc/49/05/93/254490593.db2.gz HFVKXESDDSQUSH-UHFFFAOYSA-N 2 0 335.448 1.639 50 0 EDAARP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCN1Cc1nccn1C ZINC000106775628 441369133 /nfs/dbraw/zinc/36/91/33/441369133.db2.gz MIOVRHRMXMBWNI-IAGOWNOFSA-N 2 0 344.459 1.366 50 0 EDAARP C[NH+]1CCN(c2ccc(C(=O)NCC34CCC[NH+]3CCC4)cc2)CC1 ZINC000065497870 441446190 /nfs/dbraw/zinc/44/61/90/441446190.db2.gz ZMEQWVWTGURZLB-UHFFFAOYSA-N 2 0 342.487 1.797 50 0 EDAARP CN(c1ccccc1C[NH2+][C@H]1CCC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000089375220 441543736 /nfs/dbraw/zinc/54/37/36/441543736.db2.gz ORROYGNLADWPIL-KRWDZBQOSA-N 2 0 344.503 1.927 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000069892770 442068293 /nfs/dbraw/zinc/06/82/93/442068293.db2.gz VIQQSGOWEJJTGT-ZIAGYGMSSA-N 2 0 339.505 1.608 50 0 EDAARP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000096436389 442130302 /nfs/dbraw/zinc/13/03/02/442130302.db2.gz FBXRACCNJCCJQQ-AEFFLSMTSA-N 2 0 337.508 1.913 50 0 EDAARP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000097164314 442177926 /nfs/dbraw/zinc/17/79/26/442177926.db2.gz LZRDGHDOXRVXKN-IAGOWNOFSA-N 2 0 345.491 1.986 50 0 EDAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000534664773 448462579 /nfs/dbraw/zinc/46/25/79/448462579.db2.gz YODYGQKBPJQJMU-UHFFFAOYSA-N 2 0 330.476 1.274 50 0 EDAARP CC[C@H](O)C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639503139 451908622 /nfs/dbraw/zinc/90/86/22/451908622.db2.gz BNEVFIUJSSUDBN-PMACEKPBSA-N 2 0 347.503 1.012 50 0 EDAARP [NH3+]CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072157787 216046798 /nfs/dbraw/zinc/04/67/98/216046798.db2.gz OPKDZSSIJBTWMB-KRWDZBQOSA-N 2 0 334.439 1.288 50 0 EDAARP Cc1cc(C)n(CCCN(C)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)n1 ZINC000072163844 216052953 /nfs/dbraw/zinc/05/29/53/216052953.db2.gz GFPSJOBJHRQIEW-INIZCTEOSA-N 2 0 333.480 1.080 50 0 EDAARP Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cc(C[NH+](C)C)cs1)CC2 ZINC000215564004 241132295 /nfs/dbraw/zinc/13/22/95/241132295.db2.gz AOBDESMOZBPUMX-UHFFFAOYSA-N 2 0 332.473 1.802 50 0 EDAARP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000058308409 441177204 /nfs/dbraw/zinc/17/72/04/441177204.db2.gz YSQQMEQWMJNPOG-INIZCTEOSA-N 2 0 329.448 1.655 50 0 EDAARP C[NH+](C)CCCC(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082146298 441338036 /nfs/dbraw/zinc/33/80/36/441338036.db2.gz CQLIRQMTBCGETH-UHFFFAOYSA-N 2 0 347.507 1.989 50 0 EDAARP CCCNC(=O)[C@@H](C)[NH+](C)CCCC[N@@H+](C)[C@H](C)C(=O)NCCC ZINC000106801551 441372991 /nfs/dbraw/zinc/37/29/91/441372991.db2.gz YJRZDUBUQGKRGZ-HZPDHXFCSA-N 2 0 342.528 1.460 50 0 EDAARP Cc1ncccc1OC1(C(=O)NCC[C@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000065531271 441453212 /nfs/dbraw/zinc/45/32/12/441453212.db2.gz NKCJXDLGDANKMQ-MRXNPFEDSA-N 2 0 346.475 1.492 50 0 EDAARP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC000097096463 442166481 /nfs/dbraw/zinc/16/64/81/442166481.db2.gz GHZQVXSMTNCYTE-MJGOQNOKSA-N 2 0 331.460 1.518 50 0 EDAARP Cc1cc[nH+]c(NCCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c1 ZINC000252669418 443046085 /nfs/dbraw/zinc/04/60/85/443046085.db2.gz HLLTZMYQYMMJPL-OKILXGFUSA-N 2 0 343.435 1.266 50 0 EDAARP C[NH+](C)Cc1ccccc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219998654 443063016 /nfs/dbraw/zinc/06/30/16/443063016.db2.gz QUDVSVBIRZZGPD-UHFFFAOYSA-N 2 0 326.448 1.937 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000299741981 444129840 /nfs/dbraw/zinc/12/98/40/444129840.db2.gz ANRKWHZOPSJLOS-SZVBFZGTSA-N 2 0 330.476 1.940 50 0 EDAARP Cc1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1OCC[NH3+] ZINC000426734483 447496908 /nfs/dbraw/zinc/49/69/08/447496908.db2.gz MQEQFEJODIFVKV-IRXDYDNUSA-N 2 0 347.459 1.316 50 0 EDAARP Cc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1OCC[NH3+] ZINC000426556033 447470853 /nfs/dbraw/zinc/47/08/53/447470853.db2.gz RESGCBPVJRQJGO-UHFFFAOYSA-N 2 0 335.448 1.173 50 0 EDAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ncc[nH]3)C2)CC1 ZINC000071776378 491166878 /nfs/dbraw/zinc/16/68/78/491166878.db2.gz HNDOGPAWTCDMPE-MRXNPFEDSA-N 2 0 347.507 1.953 50 0 EDAARP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1(C)C ZINC000261852650 535439193 /nfs/dbraw/zinc/43/91/93/535439193.db2.gz VMUXFASRMYRGPF-AXVVYFOYSA-N 2 0 345.487 1.720 50 0 EDAARP O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097823396 219058635 /nfs/dbraw/zinc/05/86/35/219058635.db2.gz NOMGUUJWBLGWTH-LJQANCHMSA-N 2 0 345.487 1.859 50 0 EDAARP O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102247051 219191876 /nfs/dbraw/zinc/19/18/76/219191876.db2.gz LKPJBPFRSKJIRV-DBDQLMEASA-N 2 0 325.456 1.688 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000069349793 215383630 /nfs/dbraw/zinc/38/36/30/215383630.db2.gz GPXFPXOZUXYCBW-CQSZACIVSA-N 2 0 347.438 1.589 50 0 EDAARP CC[NH+]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355582321 150323987 /nfs/dbraw/zinc/32/39/87/150323987.db2.gz LARMCIGDSFBZCZ-IBGZPJMESA-N 2 0 344.503 1.357 50 0 EDAARP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH2+]CCOC(C)C)c1 ZINC000014952920 286346329 /nfs/dbraw/zinc/34/63/29/286346329.db2.gz XQGNHZWDLGNRPF-INIZCTEOSA-N 2 0 340.464 1.511 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC(C[NH3+])CC3)cnn2c1 ZINC000067886142 276335297 /nfs/dbraw/zinc/33/52/97/276335297.db2.gz YHUKEXGTMUZTDG-UHFFFAOYSA-N 2 0 344.463 1.382 50 0 EDAARP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069947419 441094057 /nfs/dbraw/zinc/09/40/57/441094057.db2.gz ARIIPQHYQNZBDY-MRXNPFEDSA-N 2 0 325.497 1.414 50 0 EDAARP CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072426658 441231618 /nfs/dbraw/zinc/23/16/18/441231618.db2.gz QYAHAECFMIEZFE-OAHLLOKOSA-N 2 0 347.507 1.740 50 0 EDAARP CC(C)([NH3+])c1cn(CC2CCN(C(=O)C3(C)CC[NH2+]CC3)CC2)nn1 ZINC000048436033 441305595 /nfs/dbraw/zinc/30/55/95/441305595.db2.gz NRYLIHMYQQNLBE-UHFFFAOYSA-N 2 0 348.495 1.100 50 0 EDAARP COCC[NH+]1CCC(C[NH+]2CCN(c3ncccc3F)CC2)CC1 ZINC000065465586 441439916 /nfs/dbraw/zinc/43/99/16/441439916.db2.gz MMOBMEGXZIVVSR-UHFFFAOYSA-N 2 0 336.455 1.701 50 0 EDAARP [NH3+]CCc1nc2ccccc2c(NCC[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000065528346 441451910 /nfs/dbraw/zinc/45/19/10/441451910.db2.gz WNWYZOMKXPWDMR-CQSZACIVSA-N 2 0 329.448 1.390 50 0 EDAARP CC[N@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000095512191 441944070 /nfs/dbraw/zinc/94/40/70/441944070.db2.gz CMLZWSTXTHMCCA-LJQANCHMSA-N 2 0 347.503 1.658 50 0 EDAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nnc2ccccc21 ZINC000069652845 442000846 /nfs/dbraw/zinc/00/08/46/442000846.db2.gz FQBTYYBNMBCSNP-UHFFFAOYSA-N 2 0 346.479 1.163 50 0 EDAARP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OC[C@H]1CCCO1 ZINC000096421084 442122975 /nfs/dbraw/zinc/12/29/75/442122975.db2.gz PJZFZDPNVFKYLN-GOSISDBHSA-N 2 0 326.481 1.616 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000299741980 444129739 /nfs/dbraw/zinc/12/97/39/444129739.db2.gz ANRKWHZOPSJLOS-SUMDDJOVSA-N 2 0 330.476 1.940 50 0 EDAARP C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)[N@H+](C)C1CCCCC1 ZINC000584898185 448670916 /nfs/dbraw/zinc/67/09/16/448670916.db2.gz IDNFWNOLRNGURZ-HNNXBMFYSA-N 2 0 325.497 1.555 50 0 EDAARP O[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000217089957 485738379 /nfs/dbraw/zinc/73/83/79/485738379.db2.gz DQUSKEIUTQIBOI-LJQANCHMSA-N 3 0 344.503 1.877 50 0 EDAARP CC[NH+](CC)Cc1cnc2c(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)cnn2c1 ZINC000067758624 215206589 /nfs/dbraw/zinc/20/65/89/215206589.db2.gz BPLYDVMZOWHODP-OAHLLOKOSA-N 2 0 344.463 1.347 50 0 EDAARP COc1cc2c(c(C[NH2+]CC3CC[NH+](CCO)CC3)c1)O[C@@H](C)C2 ZINC000069368425 215389847 /nfs/dbraw/zinc/38/98/47/215389847.db2.gz WHRVNEOAROIZSK-AWEZNQCLSA-N 2 0 334.460 1.813 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1c(C)n[nH]c1C)CC[NH+](C)CC2 ZINC000072426526 216217435 /nfs/dbraw/zinc/21/74/35/216217435.db2.gz KHXSHTLYNPYDSY-KRWDZBQOSA-N 2 0 347.507 1.839 50 0 EDAARP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000229513811 242171532 /nfs/dbraw/zinc/17/15/32/242171532.db2.gz HZTMICLIZCJDJM-MSOLQXFVSA-N 2 0 327.513 1.122 50 0 EDAARP CCCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)o1 ZINC000092065559 218112879 /nfs/dbraw/zinc/11/28/79/218112879.db2.gz MNLYEYDYMZBXKI-QZTJIDSGSA-N 2 0 349.519 1.910 50 0 EDAARP Cc1cc(N2CCC([NH2+]Cc3cncn3CC(C)C)CC2)nc(N)[nH+]1 ZINC000095381897 218314876 /nfs/dbraw/zinc/31/48/76/218314876.db2.gz YOBKPPOBWTUNEX-UHFFFAOYSA-N 2 0 343.479 1.978 50 0 EDAARP C[NH+]1CCN(CCC[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 ZINC000095375894 218309107 /nfs/dbraw/zinc/30/91/07/218309107.db2.gz IGCHLXOLIYKXJW-UHFFFAOYSA-N 2 0 332.423 1.394 50 0 EDAARP O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000299796564 258101275 /nfs/dbraw/zinc/10/12/75/258101275.db2.gz OAGQPTKDURVCPQ-MRXNPFEDSA-N 2 0 331.460 1.863 50 0 EDAARP C[C@@H](C(=O)N1CCCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065587845 278187847 /nfs/dbraw/zinc/18/78/47/278187847.db2.gz FUDGXAFJNHQGQV-BBWFWOEESA-N 2 0 337.508 1.819 50 0 EDAARP COc1c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C(C)C)nn1C ZINC000058391406 441188197 /nfs/dbraw/zinc/18/81/97/441188197.db2.gz SIKOCSWLJNKLKD-UHFFFAOYSA-N 2 0 337.512 1.668 50 0 EDAARP c1ccc(OCCCC[NH+]2CCOCC2)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000055054340 441614138 /nfs/dbraw/zinc/61/41/38/441614138.db2.gz SOWAAQVAZPCSFU-GOSISDBHSA-N 2 0 333.476 1.629 50 0 EDAARP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000253397368 443055740 /nfs/dbraw/zinc/05/57/40/443055740.db2.gz RYKYSCAOBIKLSM-UHFFFAOYSA-N 2 0 339.524 1.878 50 0 EDAARP CN1CC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000239351946 443199109 /nfs/dbraw/zinc/19/91/09/443199109.db2.gz AAWCVMPYNRRZOM-QZTJIDSGSA-N 2 0 330.476 1.233 50 0 EDAARP COc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1OCCC[NH3+] ZINC000426478950 447452316 /nfs/dbraw/zinc/45/23/16/447452316.db2.gz NWDWNRQODBBHPW-AWEZNQCLSA-N 2 0 335.448 1.589 50 0 EDAARP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)[nH]1 ZINC000072431646 216225374 /nfs/dbraw/zinc/22/53/74/216225374.db2.gz ZIJBJQDMCPDKAY-FUHWJXTLSA-N 2 0 345.491 1.531 50 0 EDAARP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069947417 203064537 /nfs/dbraw/zinc/06/45/37/203064537.db2.gz ARIIPQHYQNZBDY-INIZCTEOSA-N 2 0 325.497 1.414 50 0 EDAARP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000076081980 203335759 /nfs/dbraw/zinc/33/57/59/203335759.db2.gz PKHYOUNAWYAWQX-UHFFFAOYSA-N 2 0 334.468 1.537 50 0 EDAARP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000096489896 276388610 /nfs/dbraw/zinc/38/86/10/276388610.db2.gz AJLMKLDNDDMJCJ-KRWDZBQOSA-N 2 0 331.460 1.823 50 0 EDAARP CN1CC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351945 277105507 /nfs/dbraw/zinc/10/55/07/277105507.db2.gz AAWCVMPYNRRZOM-MSOLQXFVSA-N 2 0 330.476 1.233 50 0 EDAARP C[NH+](C)CCOc1cccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1 ZINC000097681809 289171981 /nfs/dbraw/zinc/17/19/81/289171981.db2.gz OKAVILFGYBSKRI-QGZVFWFLSA-N 2 0 334.460 1.743 50 0 EDAARP CNc1cc(C)[nH+]c(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)n1 ZINC000091486539 441707332 /nfs/dbraw/zinc/70/73/32/441707332.db2.gz VMDYSUTUBRWROP-CABCVRRESA-N 2 0 349.479 1.125 50 0 EDAARP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000067743754 441675704 /nfs/dbraw/zinc/67/57/04/441675704.db2.gz OXEAPDOZYJNGGT-KRWDZBQOSA-N 3 0 336.524 1.252 50 0 EDAARP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000130477410 442347727 /nfs/dbraw/zinc/34/77/27/442347727.db2.gz HBSQOHMTGKTGPV-OAHLLOKOSA-N 2 0 336.455 1.980 50 0 EDAARP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000220475504 443065955 /nfs/dbraw/zinc/06/59/55/443065955.db2.gz NNQFCQRJLMKVKV-UHFFFAOYSA-N 2 0 330.480 1.718 50 0 EDAARP CCN1C(=O)[C@H]2CC3(CN2C1=O)CC[NH+](C1CCN(C)CC1)CC3 ZINC000257185637 443119802 /nfs/dbraw/zinc/11/98/02/443119802.db2.gz XFZAWFLXTAQLAG-OAHLLOKOSA-N 2 0 334.464 1.219 50 0 EDAARP CN(CC[N@H+](C)C1CC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000343072181 445043060 /nfs/dbraw/zinc/04/30/60/445043060.db2.gz DDJGBGFINWQOOJ-INIZCTEOSA-N 2 0 325.522 1.757 50 0 EDAARP CC[NH+]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC000020907468 202057856 /nfs/dbraw/zinc/05/78/56/202057856.db2.gz YDROCTIARAAMPT-HXUWFJFHSA-N 2 0 348.535 1.348 50 0 EDAARP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)on1 ZINC000071920054 203151007 /nfs/dbraw/zinc/15/10/07/203151007.db2.gz YJGGZHZLDCDVAA-UHFFFAOYSA-N 2 0 336.480 1.899 50 0 EDAARP O=C1CC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072426853 203221381 /nfs/dbraw/zinc/22/13/81/203221381.db2.gz GFHGSQJJABSGTJ-RBUKOAKNSA-N 2 0 342.487 1.894 50 0 EDAARP Nc1ncnc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1Cl ZINC000302831237 258016360 /nfs/dbraw/zinc/01/63/60/258016360.db2.gz LBUHFQIGJRAOPD-STQMWFEESA-N 2 0 333.823 1.760 50 0 EDAARP Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)nc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000084258619 441390306 /nfs/dbraw/zinc/39/03/06/441390306.db2.gz TVIOYQACCORLNZ-SJORKVTESA-N 2 0 346.523 1.846 50 0 EDAARP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000090581891 441636491 /nfs/dbraw/zinc/63/64/91/441636491.db2.gz YTAFLBJJILSQGS-OCCSQVGLSA-N 2 0 345.534 1.655 50 0 EDAARP CC(C)[NH+]1CCC(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000067843333 441686784 /nfs/dbraw/zinc/68/67/84/441686784.db2.gz NNLFWNYPNLCVBZ-MRXNPFEDSA-N 2 0 331.526 1.368 50 0 EDAARP O=C(C[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000067867580 441689929 /nfs/dbraw/zinc/68/99/29/441689929.db2.gz REHGEHKSZDZQRX-SFHVURJKSA-N 2 0 330.476 1.896 50 0 EDAARP Cc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n1 ZINC000091526119 441709141 /nfs/dbraw/zinc/70/91/41/441709141.db2.gz HZDNVUSXLXLVEI-QZTJIDSGSA-N 2 0 332.492 1.068 50 0 EDAARP O=C(NCC[NH+]1CCC(O)CC1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095384418 441916495 /nfs/dbraw/zinc/91/64/95/441916495.db2.gz NAPRBQILERSZBU-QGZVFWFLSA-N 2 0 331.460 1.340 50 0 EDAARP c1nc(NC[C@H]2CCCO2)ncc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426635585 447484879 /nfs/dbraw/zinc/48/48/79/447484879.db2.gz VVVVEANCYCBMME-MRXNPFEDSA-N 2 0 347.463 1.022 50 0 EDAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597805 203025424 /nfs/dbraw/zinc/02/54/24/203025424.db2.gz MNVKOJLLLQDGDW-DNVCBOLYSA-N 2 0 345.487 1.689 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069922685 296181711 /nfs/dbraw/zinc/18/17/11/296181711.db2.gz GGRQORKFGRDLBE-NEPJUHHUSA-N 2 0 339.402 1.078 50 0 EDAARP O[C@H]1[C@H]([NH2+]CCCn2ccnc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072169106 285371420 /nfs/dbraw/zinc/37/14/20/285371420.db2.gz ATWMYABHVGVDGA-MSOLQXFVSA-N 2 0 326.444 1.600 50 0 EDAARP CN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000426396655 447434154 /nfs/dbraw/zinc/43/41/54/447434154.db2.gz STGKZZRMADWMHV-GOSISDBHSA-N 2 0 344.503 1.996 50 0 EDAARP CCCNC(=O)[C@@H](C)[N@H+](C)CCCC[NH+](C)[C@@H](C)C(=O)NCCC ZINC000070038441 441107163 /nfs/dbraw/zinc/10/71/63/441107163.db2.gz YJRZDUBUQGKRGZ-IYBDPMFKSA-N 2 0 342.528 1.460 50 0 EDAARP O=C(C[C@H]1COCC[NH2+]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000082097104 441332384 /nfs/dbraw/zinc/33/23/84/441332384.db2.gz JAVRCJRKCWNURV-SFHVURJKSA-N 2 0 343.471 1.414 50 0 EDAARP Cc1ccsc1[C@H](CNC(=O)c1cc2n(n1)CCC[NH2+]C2)[NH+](C)C ZINC000065385864 441422431 /nfs/dbraw/zinc/42/24/31/441422431.db2.gz KLKQSTNUSBAVLZ-HNNXBMFYSA-N 2 0 347.488 1.779 50 0 EDAARP CC(C)(CN1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1)[NH+]1CCCCC1 ZINC000067833411 441684595 /nfs/dbraw/zinc/68/45/95/441684595.db2.gz BOIOYYOUKRYUTR-MRXNPFEDSA-N 2 0 336.524 1.570 50 0 EDAARP CCCCSc1nc(N)cc(N2CC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000095353972 441911867 /nfs/dbraw/zinc/91/18/67/441911867.db2.gz SQJVBCNZKKDNPA-OAHLLOKOSA-N 2 0 325.482 1.454 50 0 EDAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095516402 441944981 /nfs/dbraw/zinc/94/49/81/441944981.db2.gz HPKODPJJSPJHJH-QGZVFWFLSA-N 2 0 347.507 1.493 50 0 EDAARP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000195571477 443033194 /nfs/dbraw/zinc/03/31/94/443033194.db2.gz FHSUONQDRIZMHZ-HOTGVXAUSA-N 2 0 340.512 1.205 50 0 EDAARP Cc1cc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000229540407 443128425 /nfs/dbraw/zinc/12/84/25/443128425.db2.gz XFGUHVIWXZXSOU-GOEBONIOSA-N 2 0 327.432 1.611 50 0 EDAARP O=C(C1CCC1)N1CCC([NH2+][C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)CC1 ZINC000244899993 443216557 /nfs/dbraw/zinc/21/65/57/443216557.db2.gz ZTYIRXDGEBAJPK-WDSOQIARSA-N 2 0 349.519 1.506 50 0 EDAARP O=C(C[NH+]1CCCCCCC1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000584896567 448669537 /nfs/dbraw/zinc/66/95/37/448669537.db2.gz AIHLXLIZJFDJLN-GOSISDBHSA-N 2 0 337.508 1.558 50 0 EDAARP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000095976935 533717670 /nfs/dbraw/zinc/71/76/70/533717670.db2.gz KQYOYFOYACFNHD-BHIYHBOVSA-N 2 0 345.487 1.470 50 0 EDAARP C[C@@H]1CN(Cc2ccc(OCCCN3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000223832341 485807999 /nfs/dbraw/zinc/80/79/99/485807999.db2.gz RFWJAMPTJBKBMQ-MSOLQXFVSA-N 2 0 347.503 1.970 50 0 EDAARP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C2 ZINC000685940962 539580540 /nfs/dbraw/zinc/58/05/40/539580540.db2.gz MEJBJEZLTDKOKS-VXIBKDFQSA-N 2 0 331.460 1.355 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739101 201355548 /nfs/dbraw/zinc/35/55/48/201355548.db2.gz KMSXDSNQHMHWJI-KBAYOESNSA-N 2 0 346.475 1.177 50 0 EDAARP CN1CCC[N@H+](CC(=O)NCCc2ccccc2)CC12CC[NH2+]CC2 ZINC000244840236 243088334 /nfs/dbraw/zinc/08/83/34/243088334.db2.gz UJMGERJEVCYSPS-UHFFFAOYSA-N 2 0 344.503 1.105 50 0 EDAARP Cn1cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000069490768 203009446 /nfs/dbraw/zinc/00/94/46/203009446.db2.gz MSQJAPVSGWIXSJ-LJQANCHMSA-N 2 0 328.460 1.955 50 0 EDAARP CC[C@H]1CCCCN1C(=O)C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069898295 203061765 /nfs/dbraw/zinc/06/17/65/203061765.db2.gz VPWRXKBHJGFVLW-WBVHZDCISA-N 2 0 325.497 1.460 50 0 EDAARP Cc1ccoc1-c1nnc(C[N@H+](C)CC2CC[NH+](CCO)CC2)o1 ZINC000070040198 203072844 /nfs/dbraw/zinc/07/28/44/203072844.db2.gz ZQHNDNYOWBNAFU-UHFFFAOYSA-N 2 0 334.420 1.774 50 0 EDAARP C[NH+](C)C[C@]1(O)CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072147767 203172092 /nfs/dbraw/zinc/17/20/92/203172092.db2.gz OVKQJLFHMYSXPN-GOSISDBHSA-N 2 0 335.448 1.017 50 0 EDAARP CC1(C)Cc2cc(CNC(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)ccc2O1 ZINC000072169896 203180389 /nfs/dbraw/zinc/18/03/89/203180389.db2.gz MCVMIZSBAYABOT-INIZCTEOSA-N 2 0 343.471 1.748 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCn1cccc1)CC[NH+](C)CC2 ZINC000072469582 203229617 /nfs/dbraw/zinc/22/96/17/203229617.db2.gz HIXISZIIVUDIDN-QGZVFWFLSA-N 2 0 332.492 1.801 50 0 EDAARP Cc1nc[nH]c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072475508 203230177 /nfs/dbraw/zinc/23/01/77/203230177.db2.gz LJBCLBJSHIBESD-FUHWJXTLSA-N 2 0 345.491 1.531 50 0 EDAARP C[NH+](C)CCCOc1cccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097532543 441140711 /nfs/dbraw/zinc/14/07/11/441140711.db2.gz NXVQRYBTINDBEX-IBGZPJMESA-N 2 0 346.519 1.497 50 0 EDAARP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc4c3OCO4)ccn2)CC1 ZINC000065613554 441470609 /nfs/dbraw/zinc/47/06/09/441470609.db2.gz UBLDKHIFKLOMIH-UHFFFAOYSA-N 2 0 340.427 1.852 50 0 EDAARP Cn1cncc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420604 441451844 /nfs/dbraw/zinc/45/18/44/441451844.db2.gz PAEYGJOGOHZZQV-KRWDZBQOSA-N 2 0 341.459 1.407 50 0 EDAARP COc1ccc([C@@H]2CN(C(=O)CC[NH3+])[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095387943 441918631 /nfs/dbraw/zinc/91/86/31/441918631.db2.gz UUGJZEKXMSCPQC-QXAKKESOSA-N 2 0 329.444 1.433 50 0 EDAARP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202627 443163040 /nfs/dbraw/zinc/16/30/40/443163040.db2.gz AAWCVMPYNRRZOM-ZWKOTPCHSA-N 2 0 330.476 1.233 50 0 EDAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014748999 201941632 /nfs/dbraw/zinc/94/16/32/201941632.db2.gz NUWRGIGMPHPMDM-UHFFFAOYSA-N 2 0 338.496 1.713 50 0 EDAARP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1OCC[NH+](C)C)CN2 ZINC000058299007 201141463 /nfs/dbraw/zinc/14/14/63/201141463.db2.gz BLROOACGEHAQEL-INIZCTEOSA-N 2 0 343.475 1.963 50 0 EDAARP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000229194096 242151039 /nfs/dbraw/zinc/15/10/39/242151039.db2.gz VVWPUOZZRVYSFL-IRXDYDNUSA-N 2 0 329.448 1.540 50 0 EDAARP C[C@@H](NC(=O)C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1)c1cccs1 ZINC000069892769 203061500 /nfs/dbraw/zinc/06/15/00/203061500.db2.gz VIQQSGOWEJJTGT-UONOGXRCSA-N 2 0 339.505 1.608 50 0 EDAARP COc1ccc(-c2nnc(C[NH2+]CC3CC[NH+](CCO)CC3)o2)cc1 ZINC000071870946 203132798 /nfs/dbraw/zinc/13/27/98/203132798.db2.gz ILPBXRZUVRRDPZ-UHFFFAOYSA-N 2 0 346.431 1.539 50 0 EDAARP CCc1cc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)n2nccc2n1 ZINC000072475451 203231202 /nfs/dbraw/zinc/23/12/02/203231202.db2.gz FTLXGRIPMYMXRJ-UHFFFAOYSA-N 2 0 342.491 1.756 50 0 EDAARP COCCN1C[C@H](C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)CC1=O ZINC000299799522 258103011 /nfs/dbraw/zinc/10/30/11/258103011.db2.gz GZFZIKZZXNHKEE-KRWDZBQOSA-N 2 0 346.475 1.397 50 0 EDAARP O[C@@H]1CN(c2cnccn2)CC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000097436881 441139195 /nfs/dbraw/zinc/13/91/95/441139195.db2.gz MWHLLSCQFNGRHM-KRWDZBQOSA-N 2 0 345.491 1.272 50 0 EDAARP O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097572283 441141364 /nfs/dbraw/zinc/14/13/64/441141364.db2.gz REIVKDPITMPNLT-GOSISDBHSA-N 2 0 345.487 1.717 50 0 EDAARP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C(=O)N1CCc2ccccc2C1 ZINC000072267439 441210557 /nfs/dbraw/zinc/21/05/57/441210557.db2.gz BSEWKPIJCKQWID-MRXNPFEDSA-N 2 0 345.487 1.254 50 0 EDAARP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081354432 441256491 /nfs/dbraw/zinc/25/64/91/441256491.db2.gz LZYDRPFWPCYBIH-GOSISDBHSA-N 2 0 344.503 1.458 50 0 EDAARP CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC000082096580 441330623 /nfs/dbraw/zinc/33/06/23/441330623.db2.gz MLAWAPGWPDPARS-KRWDZBQOSA-N 2 0 333.480 1.599 50 0 EDAARP CCCCc1c(C)[nH+]c(N)nc1N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000091563315 441713485 /nfs/dbraw/zinc/71/34/85/441713485.db2.gz NPIGHWXNKDQRBY-HOTGVXAUSA-N 2 0 333.480 1.745 50 0 EDAARP COc1ccc([C@@H](CN2CC[NH+](C)CC2)NC2CC[NH+](C)CC2)cc1 ZINC000095421500 441924870 /nfs/dbraw/zinc/92/48/70/441924870.db2.gz NSCIKMRAESRMMW-HXUWFJFHSA-N 2 0 346.519 1.668 50 0 EDAARP COCC[N@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000096439894 442131396 /nfs/dbraw/zinc/13/13/96/442131396.db2.gz WWDRTEIMVVVWFF-ZXFUBFMLSA-N 2 0 338.496 1.412 50 0 EDAARP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000188546215 442761860 /nfs/dbraw/zinc/76/18/60/442761860.db2.gz RZTOWHCIKDTMIV-HNNXBMFYSA-N 2 0 340.512 1.347 50 0 EDAARP CC[N@@H+]1C[C@@H]2CCN(Cc3cccnc3)C[C@]2(c2nc(C)no2)C1 ZINC000257178284 443117412 /nfs/dbraw/zinc/11/74/12/443117412.db2.gz ZVCNXZZHNMPNFI-FUHWJXTLSA-N 2 0 327.432 1.868 50 0 EDAARP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096337 443194761 /nfs/dbraw/zinc/19/47/61/443194761.db2.gz KHQKJWXSUFNRHB-JKSUJKDBSA-N 2 0 337.851 1.143 50 0 EDAARP Nc1nc(N2CCC([NH+]3CCCCC3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000220673789 241452264 /nfs/dbraw/zinc/45/22/64/241452264.db2.gz UXFYAUYTSLSGTQ-UHFFFAOYSA-N 2 0 331.464 1.752 50 0 EDAARP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000244564022 243039449 /nfs/dbraw/zinc/03/94/49/243039449.db2.gz CLEMQNMKLYDJAP-ZNMIVQPWSA-N 2 0 331.464 1.502 50 0 EDAARP Cc1cc(C)c(OCCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c(C)c1 ZINC000072152534 203173677 /nfs/dbraw/zinc/17/36/77/203173677.db2.gz PIUWKOOGAQOVDV-QGZVFWFLSA-N 2 0 345.487 1.839 50 0 EDAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000133542088 205370122 /nfs/dbraw/zinc/37/01/22/205370122.db2.gz MFGKXYHVNHHEGK-PBHICJAKSA-N 2 0 348.466 1.897 50 0 EDAARP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 ZINC000091425173 279632069 /nfs/dbraw/zinc/63/20/69/279632069.db2.gz RKLLMYFXCGFJMJ-UHFFFAOYSA-N 2 0 345.487 1.385 50 0 EDAARP Cc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237747154 280207667 /nfs/dbraw/zinc/20/76/67/280207667.db2.gz CYKAYBCWDYIBLB-UHFFFAOYSA-N 2 0 346.479 1.211 50 0 EDAARP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OC[C@@H]1CCCO1 ZINC000096421085 442122692 /nfs/dbraw/zinc/12/26/92/442122692.db2.gz PJZFZDPNVFKYLN-SFHVURJKSA-N 2 0 326.481 1.616 50 0 EDAARP C[NH+](C)CCCOc1ccccc1CN1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000215293952 443055306 /nfs/dbraw/zinc/05/53/06/443055306.db2.gz BPQCBJOIXRNIDE-IBGZPJMESA-N 2 0 346.519 1.449 50 0 EDAARP CN1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000222035052 443075104 /nfs/dbraw/zinc/07/51/04/443075104.db2.gz WRHHQTQURPMDSV-JYJNAYRXSA-N 2 0 339.386 1.157 50 0 EDAARP C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[NH+](C)CC1 ZINC000426658274 447487484 /nfs/dbraw/zinc/48/74/84/447487484.db2.gz HGMBOYFYCNSVBC-INIZCTEOSA-N 2 0 330.476 1.780 50 0 EDAARP CC[C@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000069739231 203043167 /nfs/dbraw/zinc/04/31/67/203043167.db2.gz HZTMICLIZCJDJM-ZWKOTPCHSA-N 2 0 327.513 1.122 50 0 EDAARP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000070021955 203071415 /nfs/dbraw/zinc/07/14/15/203071415.db2.gz FGDQZEIQIODHSG-KRWDZBQOSA-N 2 0 325.497 1.414 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ccncn1)CC[NH+](C)CC2 ZINC000072453498 203227123 /nfs/dbraw/zinc/22/71/23/203227123.db2.gz ZRPBXOWSQVXEAY-QGZVFWFLSA-N 2 0 345.491 1.631 50 0 EDAARP COc1cc(C)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072424306 203221239 /nfs/dbraw/zinc/22/12/39/203221239.db2.gz DSHUDUWRPNVRNK-DOTOQJQBSA-N 2 0 331.460 1.775 50 0 EDAARP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000077355560 203382382 /nfs/dbraw/zinc/38/23/82/203382382.db2.gz IHZCSWFSEHLNJA-LJQANCHMSA-N 2 0 343.471 1.414 50 0 EDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237432837 287684070 /nfs/dbraw/zinc/68/40/70/287684070.db2.gz LNRNSIGGWOIFHE-KURKYZTESA-N 2 0 348.535 1.393 50 0 EDAARP CC[N@H+](C)C[C@@H]1CN(Cc2cc(C[NH+](C)C)cs2)C[C@@H]1CO ZINC000091691135 279037796 /nfs/dbraw/zinc/03/77/96/279037796.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 2 0 325.522 1.802 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nc(-c3cccnc3)no2)CC1 ZINC000069949939 441094891 /nfs/dbraw/zinc/09/48/91/441094891.db2.gz ODUOVFRRLWIUJX-CYBMUJFWSA-N 2 0 331.420 1.314 50 0 EDAARP Cc1ncccc1OC1(C(=O)NCC[C@@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000065531268 441453057 /nfs/dbraw/zinc/45/30/57/441453057.db2.gz NKCJXDLGDANKMQ-INIZCTEOSA-N 2 0 346.475 1.492 50 0 EDAARP O[C@H](C[NH+]1CCC(C[NH2+]CCn2cncn2)CC1)c1ccccc1 ZINC000075603048 441538650 /nfs/dbraw/zinc/53/86/50/441538650.db2.gz FFFOVYIPAWGGJK-GOSISDBHSA-N 2 0 329.448 1.313 50 0 EDAARP CC[N@@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000089977248 441609130 /nfs/dbraw/zinc/60/91/30/441609130.db2.gz FUZYQNMRPPSNRB-GOSISDBHSA-N 2 0 332.492 1.897 50 0 EDAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095379073 441915766 /nfs/dbraw/zinc/91/57/66/441915766.db2.gz ZSBUIMNKVXGQMR-MRXNPFEDSA-N 2 0 333.480 1.150 50 0 EDAARP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000195548999 443031561 /nfs/dbraw/zinc/03/15/61/443031561.db2.gz YTAFLBJJILSQGS-GXTWGEPZSA-N 2 0 345.534 1.655 50 0 EDAARP CC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@]2(CCOC2)O1 ZINC000252551073 443042811 /nfs/dbraw/zinc/04/28/11/443042811.db2.gz TXSXLCFRNMHYCZ-OALUTQOASA-N 2 0 339.524 1.672 50 0 EDAARP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662787621 453522991 /nfs/dbraw/zinc/52/29/91/453522991.db2.gz DPFNLUWNQSPIDG-AWEZNQCLSA-N 2 0 333.480 1.823 50 0 EDAARP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000097698619 219049955 /nfs/dbraw/zinc/04/99/55/219049955.db2.gz OMBDBZJGKOCFSD-SFHVURJKSA-N 2 0 333.476 1.711 50 0 EDAARP CC[C@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000229513825 201041194 /nfs/dbraw/zinc/04/11/94/201041194.db2.gz HZTMICLIZCJDJM-ROUUACIJSA-N 2 0 327.513 1.122 50 0 EDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000236994441 204257923 /nfs/dbraw/zinc/25/79/23/204257923.db2.gz GKIHWDMBIJINHB-NVXWUHKLSA-N 2 0 330.476 1.780 50 0 EDAARP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091452253 218008988 /nfs/dbraw/zinc/00/89/88/218008988.db2.gz LNSMBAQPMYHRCT-WOJBJXKFSA-N 2 0 328.456 1.804 50 0 EDAARP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000333424650 297532388 /nfs/dbraw/zinc/53/23/88/297532388.db2.gz TTZIWILQGJELQW-SZMVWBNQSA-N 2 0 330.476 1.940 50 0 EDAARP CC[N@H+](C[C@@H](O)CO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012199044 441129041 /nfs/dbraw/zinc/12/90/41/441129041.db2.gz BYFSZLZFBQIJBE-HXUWFJFHSA-N 2 0 334.504 1.925 50 0 EDAARP C[NH+]1CCC(N2CCC[C@@H](NC(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000012583639 441136772 /nfs/dbraw/zinc/13/67/72/441136772.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 2 0 336.524 1.537 50 0 EDAARP CCn1c(CC2CC[NH+](C[C@@H]3CCC[N@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387737 441423260 /nfs/dbraw/zinc/42/32/60/441423260.db2.gz YJWGNUIMDXPLLC-QGZVFWFLSA-N 2 0 349.523 1.588 50 0 EDAARP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089840245 441585201 /nfs/dbraw/zinc/58/52/01/441585201.db2.gz FYHKEOUGQMUQBF-ZBFHGGJFSA-N 2 0 338.496 1.520 50 0 EDAARP c1cn(CCCC[NH+]2CCCC2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091713059 441732018 /nfs/dbraw/zinc/73/20/18/441732018.db2.gz JWJSJFZZVMIYGT-UHFFFAOYSA-N 2 0 343.479 1.942 50 0 EDAARP C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000219838444 443061200 /nfs/dbraw/zinc/06/12/00/443061200.db2.gz AAMNBDXCPFJUGG-SQNIBIBYSA-N 2 0 331.460 1.174 50 0 EDAARP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000253430272 443068690 /nfs/dbraw/zinc/06/86/90/443068690.db2.gz KKCOJVMAXHLEIW-RBUKOAKNSA-N 2 0 345.487 1.700 50 0 EDAARP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CC[C@@H](C[NH+](C)C)[C@H](O)C1 ZINC000584893535 448668144 /nfs/dbraw/zinc/66/81/44/448668144.db2.gz YYRBYOTWAXPTDN-WCQYABFASA-N 2 0 332.370 1.548 50 0 EDAARP O[C@H]1CN(C2CC[NH2+]CC2)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000097785353 219057489 /nfs/dbraw/zinc/05/74/89/219057489.db2.gz OVTHREGCCXRXJB-GOSISDBHSA-N 2 0 340.471 1.465 50 0 EDAARP C[NH+](C)CCCNc1c(=O)c(=O)c1NCC1([NH+](C)C)CCCCC1 ZINC000101687792 219155838 /nfs/dbraw/zinc/15/58/38/219155838.db2.gz FRNGPIPYGAUBOK-UHFFFAOYSA-N 2 0 336.480 1.323 50 0 EDAARP OC[C@@H]1CCCC[N@@H+]1CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072407633 216197826 /nfs/dbraw/zinc/19/78/26/216197826.db2.gz IZLIYMOKGVANLZ-HNNXBMFYSA-N 2 0 344.463 1.087 50 0 EDAARP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)[nH]1 ZINC000072423428 216212863 /nfs/dbraw/zinc/21/28/63/216212863.db2.gz FODKAVGQLANQSE-GOEBONIOSA-N 2 0 333.480 1.442 50 0 EDAARP C[NH+](C)CCCN1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)OC1=O ZINC000072433740 216228709 /nfs/dbraw/zinc/22/87/09/216228709.db2.gz AMJIRMCFYGXDQI-HNNXBMFYSA-N 2 0 325.453 1.261 50 0 EDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072469675 216249122 /nfs/dbraw/zinc/24/91/22/216249122.db2.gz RBMRQPKGWLPCPZ-OAHLLOKOSA-N 2 0 333.480 1.564 50 0 EDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCCNc1cccnc1)CC[NH2+]CC2 ZINC000072476729 216254268 /nfs/dbraw/zinc/25/42/68/216254268.db2.gz RVQPKPIWARRZMA-MRXNPFEDSA-N 2 0 331.464 1.074 50 0 EDAARP OC[C@]1(O)CC[N@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000216505645 241198978 /nfs/dbraw/zinc/19/89/78/241198978.db2.gz NNCSUKLYYDQIQL-FQEVSTJZSA-N 2 0 348.487 1.871 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000299741979 258009744 /nfs/dbraw/zinc/00/97/44/258009744.db2.gz ANRKWHZOPSJLOS-AYBZRNKSSA-N 2 0 330.476 1.940 50 0 EDAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237609589 300066081 /nfs/dbraw/zinc/06/60/81/300066081.db2.gz GZNRZZPAODTPBA-IRXDYDNUSA-N 2 0 336.524 1.393 50 0 EDAARP Cc1ccccc1CNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871580 441177546 /nfs/dbraw/zinc/17/75/46/441177546.db2.gz YFHZNWYVNWLOIL-QGZVFWFLSA-N 2 0 347.503 1.636 50 0 EDAARP NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071765345 441153582 /nfs/dbraw/zinc/15/35/82/441153582.db2.gz RUDFCJGZPHARKQ-QGZVFWFLSA-N 2 0 327.472 1.816 50 0 EDAARP C[NH+](C)C1(C(=O)NCCCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000072293113 441224126 /nfs/dbraw/zinc/22/41/26/441224126.db2.gz LGQYYRFEKGZIIR-UHFFFAOYSA-N 2 0 345.487 1.314 50 0 EDAARP CC(C)[N@H+](C)CC(=O)NCCC[NH+]1CCN(C)C[C@H]1c1ccccc1 ZINC000063466465 441331082 /nfs/dbraw/zinc/33/10/82/441331082.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 2 0 346.519 1.822 50 0 EDAARP Cc1cccc(-c2noc(C[NH2+]CC3CC[NH+](CCO)CC3)n2)c1 ZINC000069626417 441993792 /nfs/dbraw/zinc/99/37/92/441993792.db2.gz LZNLMXYWAVVKFY-UHFFFAOYSA-N 2 0 330.432 1.839 50 0 EDAARP C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000253369286 443051175 /nfs/dbraw/zinc/05/11/75/443051175.db2.gz APOTXYFRFZVBNI-OALUTQOASA-N 2 0 345.487 1.601 50 0 EDAARP CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000222132979 443074571 /nfs/dbraw/zinc/07/45/71/443074571.db2.gz PTTHXCFVDTVUIC-DZGCQCFKSA-N 2 0 335.452 1.110 50 0 EDAARP CN(CC[NH+]1CCCCCC1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426541546 447468176 /nfs/dbraw/zinc/46/81/76/447468176.db2.gz RMPDIXNQXRKAGC-KRWDZBQOSA-N 2 0 347.507 1.685 50 0 EDAARP CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)nc1 ZINC000067965646 215262798 /nfs/dbraw/zinc/26/27/98/215262798.db2.gz JSCWHYDBCHOTIQ-MRXNPFEDSA-N 2 0 330.476 1.854 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000069349791 215384141 /nfs/dbraw/zinc/38/41/41/215384141.db2.gz GURUFRXUWIXIFD-QGZVFWFLSA-N 2 0 347.503 1.706 50 0 EDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc(C(C)C)nc3)CC[C@H]21 ZINC000072457086 216242679 /nfs/dbraw/zinc/24/26/79/216242679.db2.gz WGORWSXRMKOYAW-DLBZAZTESA-N 2 0 345.491 1.632 50 0 EDAARP COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+](C)C)C1 ZINC000015061841 441194114 /nfs/dbraw/zinc/19/41/14/441194114.db2.gz UBXNVSFDBOLRKB-KRWDZBQOSA-N 2 0 347.503 1.970 50 0 EDAARP COC[C@@H]([NH3+])C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082166770 441338822 /nfs/dbraw/zinc/33/88/22/441338822.db2.gz ZIKJEEDTNDCOMQ-QGZVFWFLSA-N 2 0 349.479 1.011 50 0 EDAARP CC(C)[NH+]1CCC([NH+]2CCC(n3cc(C[C@@H](C)O)nn3)CC2)CC1 ZINC000048464984 441307766 /nfs/dbraw/zinc/30/77/66/441307766.db2.gz YEKOITHHHKOELA-OAHLLOKOSA-N 2 0 335.496 1.711 50 0 EDAARP Cn1c(CN2CCCCC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000077391153 441771073 /nfs/dbraw/zinc/77/10/73/441771073.db2.gz YNJRPNBVUZMDSB-UHFFFAOYSA-N 2 0 346.523 1.732 50 0 EDAARP CC[N@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000095512192 441944590 /nfs/dbraw/zinc/94/45/90/441944590.db2.gz CMLZWSTXTHMCCA-IBGZPJMESA-N 2 0 347.503 1.658 50 0 EDAARP CN1CCC[N@H+](C[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2 ZINC000252479587 443026385 /nfs/dbraw/zinc/02/63/85/443026385.db2.gz BICQLPCXTHLZKW-MRXNPFEDSA-N 2 0 331.460 1.586 50 0 EDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000299739100 444128710 /nfs/dbraw/zinc/12/87/10/444128710.db2.gz KMSXDSNQHMHWJI-BPQIPLTHSA-N 2 0 346.475 1.177 50 0 EDAARP Cc1nc(CC[NH3+])cc(N2CCC[N@H+](Cc3ccccn3)CC2)n1 ZINC000067935416 215253918 /nfs/dbraw/zinc/25/39/18/215253918.db2.gz SICHCUHOUBSZOI-UHFFFAOYSA-N 2 0 326.448 1.394 50 0 EDAARP Cn1cc(C[NH2+]CC2CC[NH+](CCO)CC2)c(-c2cccnc2)n1 ZINC000069368952 215390608 /nfs/dbraw/zinc/39/06/08/215390608.db2.gz JERRBKLGNVNZBU-UHFFFAOYSA-N 2 0 329.448 1.276 50 0 EDAARP COc1cc(CCNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)cc(OC)c1 ZINC000072145173 216032839 /nfs/dbraw/zinc/03/28/39/216032839.db2.gz ZNTWGADDVIVXIZ-KRWDZBQOSA-N 2 0 347.459 1.094 50 0 EDAARP Cc1nc(CCNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)sc1C ZINC000072409910 216201105 /nfs/dbraw/zinc/20/11/05/216201105.db2.gz AJGOWPKGNHWKIT-CQSZACIVSA-N 2 0 336.505 1.493 50 0 EDAARP O=S(=O)(CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1)N1CCCC1 ZINC000067982720 296451569 /nfs/dbraw/zinc/45/15/69/296451569.db2.gz VJXMVTFCTGJAGF-UHFFFAOYSA-N 2 0 329.510 1.314 50 0 EDAARP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951316 441096113 /nfs/dbraw/zinc/09/61/13/441096113.db2.gz KWZPXNSJHBBATG-NVXWUHKLSA-N 2 0 325.497 1.317 50 0 EDAARP C[NH+](C)CC1CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000071899647 441189888 /nfs/dbraw/zinc/18/98/88/441189888.db2.gz HQDPZNVKOMOKIN-UHFFFAOYSA-N 2 0 339.480 1.062 50 0 EDAARP CCn1c(CC2CC[NH+](C[C@H]3CCC[N@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387739 441422825 /nfs/dbraw/zinc/42/28/25/441422825.db2.gz YJWGNUIMDXPLLC-KRWDZBQOSA-N 2 0 349.523 1.588 50 0 EDAARP CCCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)on1 ZINC000065393674 441423136 /nfs/dbraw/zinc/42/31/36/441423136.db2.gz XXHNXOMBFUNRNT-AUUYWEPGSA-N 2 0 346.475 1.707 50 0 EDAARP Cc1cc(F)ccc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091320205 441694916 /nfs/dbraw/zinc/69/49/16/441694916.db2.gz QJBFQQNOANFXAR-RTBURBONSA-N 2 0 349.494 1.812 50 0 EDAARP COc1cc2c(cc1C[NH2+]CC1CC[NH+](CCO)CC1)O[C@H](C)C2 ZINC000069420705 441932585 /nfs/dbraw/zinc/93/25/85/441932585.db2.gz XFCNRUCZRDDXRW-CQSZACIVSA-N 2 0 334.460 1.813 50 0 EDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000069582588 441982098 /nfs/dbraw/zinc/98/20/98/441982098.db2.gz UWGWRHIFLQLROU-SJCJKPOMSA-N 2 0 328.403 1.681 50 0 EDAARP C[NH+]1CCC2(CCN(Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C3CC3)C2)CC1 ZINC000252572160 443043796 /nfs/dbraw/zinc/04/37/96/443043796.db2.gz YWLPUBGKEICIDJ-GASCZTMLSA-N 2 0 344.507 1.735 50 0 EDAARP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000253406302 443057206 /nfs/dbraw/zinc/05/72/06/443057206.db2.gz XZXLJUWOJHGICG-MSOLQXFVSA-N 2 0 337.508 1.822 50 0 EDAARP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[N@H+](C)C2)CC1 ZINC000054383286 535756293 /nfs/dbraw/zinc/75/62/93/535756293.db2.gz RQQRQPZXOVFLCT-OAHLLOKOSA-N 2 0 331.464 1.654 50 0 EDAARP Cc1nc(N2CC[C@@H]([NH+](C)C)C2)nc(N2CC[C@H]([NH+](C)C)C2)c1C ZINC000952993021 708038019 /nfs/dbraw/zinc/03/80/19/708038019.db2.gz UQJIYNMLWQQIOY-JKSUJKDBSA-N 2 0 332.496 1.374 50 0 EDAARP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958337 214110139 /nfs/dbraw/zinc/11/01/39/214110139.db2.gz BQHJJKTYPJOMRZ-LJQANCHMSA-N 2 0 348.487 1.779 50 0 EDAARP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000333424647 539629328 /nfs/dbraw/zinc/62/93/28/539629328.db2.gz TTZIWILQGJELQW-CGTJXYLNSA-N 2 0 330.476 1.940 50 0 EDAARP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc4nonc4c3)C2)CCCC1 ZINC000067885930 215240951 /nfs/dbraw/zinc/24/09/51/215240951.db2.gz XTMWXKGJIGBWCO-CQSZACIVSA-N 2 0 343.431 1.432 50 0 EDAARP O=C(CC[NH+]1Cc2ccccc2C1)N[C@H]1CC[C@H]1[NH2+]C1CCOCC1 ZINC000072424801 216214666 /nfs/dbraw/zinc/21/46/66/216214666.db2.gz WAJNCNHVVJAHPF-MOPGFXCFSA-N 2 0 343.471 1.808 50 0 EDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1cccnc1)CC[NH+](C)CC2 ZINC000072476284 216254598 /nfs/dbraw/zinc/25/45/98/216254598.db2.gz MJZLOIJOKRFWLJ-SFHVURJKSA-N 2 0 344.503 1.937 50 0 EDAARP CO[C@H]1CC[N@H+](Cc2ccccc2OCCN2CC[NH+](C)CC2)C1 ZINC000215609191 241134527 /nfs/dbraw/zinc/13/45/27/241134527.db2.gz VXSSBPXDDPOCTE-SFHVURJKSA-N 2 0 333.476 1.534 50 0 EDAARP CC(C)C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000012030537 211281163 /nfs/dbraw/zinc/28/11/63/211281163.db2.gz XGRITQFTUIMCDO-GOSISDBHSA-N 2 0 336.476 1.629 50 0 EDAARP CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1 ZINC000095382122 218314796 /nfs/dbraw/zinc/31/47/96/218314796.db2.gz ITYVPNGNASWUDK-GOSISDBHSA-N 2 0 346.479 1.138 50 0 EDAARP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000262324759 139270251 /nfs/dbraw/zinc/27/02/51/139270251.db2.gz FWGDYFBRXMCRTN-QZTJIDSGSA-N 2 0 331.460 1.046 50 0 EDAARP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000299797286 258101908 /nfs/dbraw/zinc/10/19/08/258101908.db2.gz MYXGOELNKOSCGH-SFHVURJKSA-N 2 0 331.460 1.957 50 0 EDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000069973954 258063727 /nfs/dbraw/zinc/06/37/27/258063727.db2.gz OYZPVZHFVRAORR-MRXNPFEDSA-N 2 0 347.503 1.913 50 0 EDAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)CC1 ZINC000069929718 441092416 /nfs/dbraw/zinc/09/24/16/441092416.db2.gz JTHUMGGYZRGOHB-QGZVFWFLSA-N 2 0 333.480 1.338 50 0 EDAARP C[C@H](C(=O)N1CCCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583018 441359986 /nfs/dbraw/zinc/35/99/86/441359986.db2.gz FUDGXAFJNHQGQV-IXDOHACOSA-N 2 0 337.508 1.819 50 0 EDAARP O=C(NCc1nc(-c2ccc(F)cc2)cs1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065394154 441424458 /nfs/dbraw/zinc/42/44/58/441424458.db2.gz IQYXIGVMJZUXTR-UHFFFAOYSA-N 2 0 346.431 1.374 50 0 EDAARP C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000253369285 443050762 /nfs/dbraw/zinc/05/07/62/443050762.db2.gz APOTXYFRFZVBNI-MOPGFXCFSA-N 2 0 345.487 1.601 50 0 EDAARP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1Cl ZINC000236881790 535675270 /nfs/dbraw/zinc/67/52/70/535675270.db2.gz OVMBYOXLCKKLGG-UHOFOFEASA-N 2 0 339.867 1.562 50 0 EDAARP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[N@H+](C)C2)CC1 ZINC000054383287 535755144 /nfs/dbraw/zinc/75/51/44/535755144.db2.gz RQQRQPZXOVFLCT-HNNXBMFYSA-N 2 0 331.464 1.654 50 0 EDAARP CC(C)C[N@@H+]1CCN(C(=O)C[NH+](C)C2CCCC2)C[C@H]1CCO ZINC000952990324 708030490 /nfs/dbraw/zinc/03/04/90/708030490.db2.gz VPSHAWIMXRAQGG-QGZVFWFLSA-N 2 0 325.497 1.412 50 0 EDAARP C[NH+](C)C1(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000072283412 216113205 /nfs/dbraw/zinc/11/32/05/216113205.db2.gz USPKMKCSTPKLDS-UHFFFAOYSA-N 2 0 348.491 1.528 50 0 EDAARP C[NH+](C)CCCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O ZINC000072406873 216198049 /nfs/dbraw/zinc/19/80/49/216198049.db2.gz RRIWSUGPOLZMTN-HNNXBMFYSA-N 2 0 325.453 1.404 50 0 EDAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000091893540 218084792 /nfs/dbraw/zinc/08/47/92/218084792.db2.gz UKKCGEKWNHQZAL-MOPGFXCFSA-N 2 0 341.455 1.926 50 0 EDAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(c3cccc(F)c3)CCCC2)C1 ZINC000096152842 218629602 /nfs/dbraw/zinc/62/96/02/218629602.db2.gz QBZKHTJOPWPNHA-OXQOHEQNSA-N 2 0 345.462 1.905 50 0 EDAARP C[NH+](C)CCCNC(=O)c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000002743351 440873375 /nfs/dbraw/zinc/87/33/75/440873375.db2.gz TWQXVDLVPAWZGC-UHFFFAOYSA-N 2 0 334.464 1.050 50 0 EDAARP Cc1cnn(CC[NH2+]CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000072267508 441210521 /nfs/dbraw/zinc/21/05/21/441210521.db2.gz WWGUMRIDFUOQMG-GOSISDBHSA-N 2 0 341.459 1.172 50 0 EDAARP C[C@H](Cn1cccn1)[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000075133208 441500854 /nfs/dbraw/zinc/50/08/54/441500854.db2.gz OYSLXMUIXCJKND-SJLPKXTDSA-N 2 0 341.459 1.252 50 0 EDAARP O=C(N1CCC(c2nc3ccccc3o2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065526228 441450979 /nfs/dbraw/zinc/45/09/79/441450979.db2.gz VGYLJSZBQPOVIC-UHFFFAOYSA-N 2 0 340.427 1.343 50 0 EDAARP C[N@H+](CCOC[C@@H]1CCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095400875 441921660 /nfs/dbraw/zinc/92/16/60/441921660.db2.gz QJKDFPKACDGZPI-SFHVURJKSA-N 2 0 326.481 1.757 50 0 EDAARP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccccc1 ZINC000221877364 443073291 /nfs/dbraw/zinc/07/32/91/443073291.db2.gz JZEMOPQANNAVKP-QRVBRYPASA-N 2 0 345.487 1.906 50 0 EDAARP COCC[N@@H+]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670471485 486564633 /nfs/dbraw/zinc/56/46/33/486564633.db2.gz YOQVCSDVJXPYAR-KRWDZBQOSA-N 2 0 337.508 1.870 50 0 EDAARP COCC[N@@H+]1CC[C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072435029 216229206 /nfs/dbraw/zinc/22/92/06/216229206.db2.gz IUIIVKYXPCSOMN-HNNXBMFYSA-N 2 0 344.463 1.208 50 0 EDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc3c(c1)CCCO3)CC[NH2+]CC2 ZINC000072474593 216251636 /nfs/dbraw/zinc/25/16/36/216251636.db2.gz MKZABFJMSSEXGO-KRWDZBQOSA-N 2 0 343.471 1.702 50 0 EDAARP COCC(=O)N1CCC[N@H+](CC2=CC[NH+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000216275082 241181141 /nfs/dbraw/zinc/18/11/41/241181141.db2.gz JNJVGJQCYBMDLG-LJQANCHMSA-N 2 0 347.503 1.908 50 0 EDAARP [NH3+]CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CCO1 ZINC000244673599 243053222 /nfs/dbraw/zinc/05/32/22/243053222.db2.gz HSECJLPANZWLND-LBPRGKRZSA-N 2 0 329.803 1.857 50 0 EDAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000006790331 441015031 /nfs/dbraw/zinc/01/50/31/441015031.db2.gz TZFHQOJOVUJDOY-OAHLLOKOSA-N 2 0 338.448 1.470 50 0 EDAARP C[N@@H+](CC(=O)N1CCc2ccccc2C1)CC1CC[NH+](CCO)CC1 ZINC000071871545 441177362 /nfs/dbraw/zinc/17/73/62/441177362.db2.gz GJTXZTAJVWQQEC-UHFFFAOYSA-N 2 0 345.487 1.207 50 0 EDAARP CCC[N@@H+]1CCCn2nc(CNC(=O)C[NH+]3CCCCCC3)cc2C1 ZINC000082121776 441335286 /nfs/dbraw/zinc/33/52/86/441335286.db2.gz QUDOGIYTYKJJLN-UHFFFAOYSA-N 2 0 347.507 1.991 50 0 EDAARP O=C(C1CCC1)N1CCC([NH2+][C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)CC1 ZINC000244899992 443216380 /nfs/dbraw/zinc/21/63/80/443216380.db2.gz ZTYIRXDGEBAJPK-BHIYHBOVSA-N 2 0 349.519 1.506 50 0 EDAARP O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000426604272 447479626 /nfs/dbraw/zinc/47/96/26/447479626.db2.gz JXNVUSCGDLFTRB-INIZCTEOSA-N 2 0 345.491 1.437 50 0 EDAARP COCC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670436123 486513068 /nfs/dbraw/zinc/51/30/68/486513068.db2.gz RDXOEWMVZBUDKS-KRWDZBQOSA-N 2 0 337.508 1.870 50 0 EDAARP